From 9177282fa6066bcf87012a9dedd0d7353e949283 Mon Sep 17 00:00:00 2001 From: Connie Gao Date: Sat, 4 Jul 2015 21:08:11 -0400 Subject: [PATCH 01/20] Adding a setup.py installation file for installing the RMG-database scripts --- setup.py | 50 ++++++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 50 insertions(+) create mode 100644 setup.py diff --git a/setup.py b/setup.py new file mode 100644 index 0000000000..e3c3dda44a --- /dev/null +++ b/setup.py @@ -0,0 +1,50 @@ +#!/usr/bin/python +# -*- coding: utf-8 -*- + +################################################################################ +# +# RMG - Reaction Mechanism Generator +# +# Copyright (c) 2002-2010 Prof. William H. Green (whgreen@mit.edu) and the +# RMG Team (rmg_dev@mit.edu) +# +# Permission is hereby granted, free of charge, to any person obtaining a +# copy of this software and associated documentation files (the 'Software'), +# to deal in the Software without restriction, including without limitation +# the rights to use, copy, modify, merge, publish, distribute, sublicense, +# and/or sell copies of the Software, and to permit persons to whom the +# Software is furnished to do so, subject to the following conditions: +# +# The above copyright notice and this permission notice shall be included in +# all copies or substantial portions of the Software. +# +# THE SOFTWARE IS PROVIDED 'AS IS', WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE +# AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING +# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +# DEALINGS IN THE SOFTWARE. +# +################################################################################ + +try: + from distutils.core import setup + from distutils.extension import Extension +except ImportError: + print 'The distutils package is required to build or install RMG Py.' + + +scripts=['EvaluateKinetics.py', 'evansPolanyi.py', 'exportKineticsLibraryToChemkin.py', +'exportOldDatabase.py','importChemkinLibrary.py','importJavaKineticsLibrary.py','importJavaThermoLibrary.py', +'importOldDatabase.py','importOldPyDatabase.py','kineticsGroups.py','kineticsTraining.py','rewriteDepositories.py'] + +# Initiate the build and/or installation +setup(name='RMG-database', + version='0.1.0', + description='Reaction Mechanism Generator Database', + author='William H. Green and the RMG Team', + author_email='rmg_dev@mit.edu', + url='http://reactionmechanismgenerator.github.io/', + scripts=scripts, +) From 98346ea428cf118eabf99351ad31730f3af41aed Mon Sep 17 00:00:00 2001 From: Connie Gao Date: Sat, 4 Jul 2015 21:09:21 -0400 Subject: [PATCH 02/20] Adding preliminary build files for anaconda --- build.sh | 7 +++++++ meta.yaml | 28 ++++++++++++++++++++++++++++ 2 files changed, 35 insertions(+) create mode 100644 build.sh create mode 100644 meta.yaml diff --git a/build.sh b/build.sh new file mode 100644 index 0000000000..0425cfe9f3 --- /dev/null +++ b/build.sh @@ -0,0 +1,7 @@ +# Install scripts in bin folder +$PYTHON setup.py install + +# Copy database files to shared directory +cd ${PREFIX}/share/ +mkdir rmgdatabase +cp ${SRC_DIR}/input/* rmgdatabase/ -r \ No newline at end of file diff --git a/meta.yaml b/meta.yaml new file mode 100644 index 0000000000..95f589c11a --- /dev/null +++ b/meta.yaml @@ -0,0 +1,28 @@ +# For conda build +package: + name: rmgdatabase + version: "0.1.0" + +source: + path: . + +build: + number: 1 + +requirements: + build: + - python + - rmg + run: + - python + - rmg +test: + requires: + - nose + imports: + - rmgpy + +about: + home: http://github.com/ReactionMechanismGenerator/RMG-database + license: MIT + summary: "Database for RMG: a program for automatically generating kinetic models of chemical reaction mechanisms." From c735dceac7292c7ab4c513d3639c73940862abbd Mon Sep 17 00:00:00 2001 From: Connie Gao Date: Wed, 8 Jul 2015 22:17:26 -0400 Subject: [PATCH 03/20] Remove RMG as a requirement for the conda build. --- meta.yaml | 7 ------- 1 file changed, 7 deletions(-) diff --git a/meta.yaml b/meta.yaml index 95f589c11a..0e12acd191 100644 --- a/meta.yaml +++ b/meta.yaml @@ -12,15 +12,8 @@ build: requirements: build: - python - - rmg run: - python - - rmg -test: - requires: - - nose - imports: - - rmgpy about: home: http://github.com/ReactionMechanismGenerator/RMG-database From 21e2deac62415d0104dadee5cd7afcd158ec2ec8 Mon Sep 17 00:00:00 2001 From: Richard West Date: Wed, 8 Jul 2015 22:24:13 -0400 Subject: [PATCH 04/20] Fix conda build recipe for MacOS X Hard to believe the syntax of "cp" is not standard, but apparently it isn't. --- build.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/build.sh b/build.sh index 0425cfe9f3..2de1b42942 100644 --- a/build.sh +++ b/build.sh @@ -4,4 +4,4 @@ $PYTHON setup.py install # Copy database files to shared directory cd ${PREFIX}/share/ mkdir rmgdatabase -cp ${SRC_DIR}/input/* rmgdatabase/ -r \ No newline at end of file +cp -R ${SRC_DIR}/input/* rmgdatabase/ \ No newline at end of file From 364de3e85927457113132a52601238ef4c5c03d4 Mon Sep 17 00:00:00 2001 From: Connie Gao Date: Thu, 9 Jul 2015 11:23:11 -0400 Subject: [PATCH 05/20] Create rmgrc file in rmgpy site-packages for conda build Conda build should not be used with RMG-Py built from source. A manually created rmgrc file would be needed since this would only drop rmgrc into the conda site-packages, rather than the source folder intended by the user. --- build.sh | 7 ++++++- 1 file changed, 6 insertions(+), 1 deletion(-) diff --git a/build.sh b/build.sh index 2de1b42942..831b5b3a94 100644 --- a/build.sh +++ b/build.sh @@ -4,4 +4,9 @@ $PYTHON setup.py install # Copy database files to shared directory cd ${PREFIX}/share/ mkdir rmgdatabase -cp -R ${SRC_DIR}/input/* rmgdatabase/ \ No newline at end of file +cp -R ${SRC_DIR}/input/* rmgdatabase/ + +# Create rmgrc file that points to this folder in site-packages/rmgpy directory +cd ${SP_DIR} +mkdir rmgpy +echo 'database.directory: ' ${PREFIX}/share/rmgdatabase > ${SP_DIR}/rmgpy/rmgrc \ No newline at end of file From b4b34b9e5a79301f0ca57bcecbb579a47d6bfdf4 Mon Sep 17 00:00:00 2001 From: Connie Gao Date: Mon, 13 Jul 2015 14:25:17 -0400 Subject: [PATCH 06/20] Update RMG-database travis build to use conda for dependencies --- .travis.yml | 50 +++++++++++++++++++++++--------------------------- 1 file changed, 23 insertions(+), 27 deletions(-) diff --git a/.travis.yml b/.travis.yml index 04269facb3..fa19b32832 100644 --- a/.travis.yml +++ b/.travis.yml @@ -1,38 +1,34 @@ language: python +sudo: false python: - "2.7" virtualenv: system_site_packages: true +env: + global: + - secure: "L2ja+ZnV83w4qG3E8FwTjm0D6IWNOnj5wuFOjYTwbzQP4OAgLAWBzCMtxzWy5sMxFLtRgkswBH1d5f5kg8Ab7GIyAMFgQwe8UFqMJ+N05QNszE1mJkAvJtv2XN7669XXQhTt5EXfHrCcGZaODVnI2CEA8GB5DxiHO2Lcqf/xvgE=" +addons: + apt: + packages: + - git + before_install: - - sudo apt-get update -qq - - sudo apt-get install git build-essential gfortran python-dev liblapack-dev python-openbabel python-setuptools python-pip - # for database testing, we don't need the inchi libraries, so no need to build rdkit from source - - sudo apt-get install python-rdkit librdkit-dev librdkit1 rdkit-data - - sudo apt-get install -qq python-numpy python-scipy python-matplotlib + # Set up anaconda + - wget http://repo.continuum.io/miniconda/Miniconda-2.2.2-Linux-x86_64.sh -O miniconda.sh + - chmod +x miniconda.sh + - ./miniconda.sh -b + - export PATH=/home/travis/anaconda/bin:$PATH + # Update conda itself + - conda update --yes conda - cd .. # this is the RMG-database project, so need to fetch RMG-Py - git clone https://github.com/GreenGroup/RMG-Py.git - - git clone https://github.com/GreenGroup/PyDAS.git - - git clone https://github.com/GreenGroup/PyDQED.git -install: - - cd $TRAVIS_BUILD_DIR - - cd .. - - cd RMG-Py - - pip install numpy - - pip install -r requirements.txt - - cd .. - - cd PyDAS - - cd daspk31 - - wget http://www.engineering.ucsb.edu/~cse/Software/daspk31.tgz - - cd .. - - make F77=gfortran - - make install - - cd .. - - cd PyDQED - - make F77=gfortran - - make install - - cd .. - cd RMG-Py - - make noQM -j2 + +install: + - conda env create + - source activate rmg + - make + script: - - nosetests -v -d --nologcapture $TRAVIS_BUILD_DIR/../RMG-Py/databaseTest.py + - make test-database From 058f81cbdd8fcd5f24168aad45be232e9bfb532e Mon Sep 17 00:00:00 2001 From: Connie Gao Date: Tue, 14 Jul 2015 15:21:32 -0400 Subject: [PATCH 07/20] Delete EvaluateKinetics.py script Not meant for official branches. --- EvaluateKinetics.py | 511 -------------------------------------------- 1 file changed, 511 deletions(-) delete mode 100644 EvaluateKinetics.py diff --git a/EvaluateKinetics.py b/EvaluateKinetics.py deleted file mode 100644 index aff76734be..0000000000 --- a/EvaluateKinetics.py +++ /dev/null @@ -1,511 +0,0 @@ -#!/usr/bin/env python -# encoding: utf-8 - -""" -This script is meant to use statistical tests to evaluate the rate rules of RMG. - -It may eventually be merged into kinetics Training -""" - -import kineticsTraining as kT -import os.path -import math -import numpy -import matplotlib -matplotlib.rc('mathtext', fontset='stixsans', default='regular') -import matplotlib.pyplot as plt -import pylab -import re -import copy -import csv - -from rmgpy.quantity import Quantity, constants -from rmgpy.thermo import * -from rmgpy.kinetics import * -from rmgpy.data.reference import * -from rmgpy.data.base import Entry -from rmgpy.data.thermo import ThermoDatabase -from rmgpy.data.kinetics import saveEntry -from rmgpy.molecule import Molecule -from rmgpy.species import Species -from rmgpy.reaction import Reaction -from rmgpy.data.rmg import RMGDatabase -from rmgpy.data.kinetics.common import UndeterminableKineticsError - - -def getKineticsDepository(family, depositoryKeyword, missingGroups): - for tempDepository in family.depositories: - if re.search(depositoryKeyword, tempDepository.label): - depository=tempDepository - - family.fillKineticsRulesByAveragingUp() - - exactKinetics={} - approxKinetics={} - - for key, entry in depository.entries.iteritems(): - try: - reaction=entry.item - template=family.getReactionTemplate(reaction) - exactKinetics[key]=entry.data - approxKinetics[key]=family.rules.estimateKinetics(template) - - except UndeterminableKineticsError: - missingGroups.append([family.label, re.split(';', key), 'No Template found']) - - except Exception as inst: - missingGroups.append([family.label, re.split(';', key), 'Other error, needs further investigation']) - - except AttributeError: -# if family.label in logicErrorNodes.keys(): -# logicErrorNodes[family.label].append(entryKey) -# else: -# logicErrorNodes[family.label]=[entryKey] - pass #maybe add more later - - return exactKinetics, approxKinetics, missingGroups - -"""performs the leave one out test on a family. It returns a dictionary of the original exact nodes -and a dictionary of the new averaged nodes. The returned dictionary entries will be of a KineticModel class""" -def getKineticsLeaveOneOut(family, missingGroups): - entryKeys=family.rules.entries.keys() - - exactKinetics={} - approxKinetics={} - index=0 - for entryKey in entryKeys: - index+=1 -# templateKeys=re.split(';', entryKey) -# print entryKey, templateKeys, index - try: -# print entryKey - template=family.getReactionTemplate(family.rules.entries[entryKey][0].item) - - print entryKey, [templateEntry.label for templateEntry in template], index - exactKinetics[entryKey]=family.rules.estimateKinetics(template) - - familyCopy=copy.deepcopy(family) - familyCopy.rules.entries.pop(entryKey) - familyCopy.fillKineticsRulesByAveragingUp() - - approxKinetics[entryKey]=familyCopy.rules.estimateKinetics(template) - - except UndeterminableKineticsError: - missingGroups.append([family.label, re.split(';', entryKey), 'No Template found']) - - except Exception as inst: - missingGroups.append([family.label, re.split(';', entryKey), 'Other error, needs further investigation']) - - except AttributeError: -# if family.label in logicErrorNodes.keys(): -# logicErrorNodes[family.label].append(entryKey) -# else: -# logicErrorNodes[family.label]=[entryKey] - pass #maybe add more later - - return exactKinetics, approxKinetics, missingGroups - -#returns the average temperature for the range given by the kinetic model -def getAverageTemp(kineticModel): -# try: -# return (kineticModel.Tmin.value + kineticModel.Tmax.value)/2 -# except AttributeError: - return 1000 - -#calculates the parity values for each -def calculateParity(exactKineticModel, approxKineticModel, T): - exact = exactKineticModel.getRateCoefficient(T) - approx = approxKineticModel.getRateCoefficient(T) - - return float(approx)/float(exact) - -"""creates a parity plot from the exactKinetics and approxKinetics (dictionarys with kineticModels are entries) -Uses the median temperature of the exactKinetics to give the best comparison. Returns the parityData in a dictionary with -{key: [exactCoefficient(T), approxCoefficient(T)}""" -def analyzeForParity(exactKinetics, approxKinetics, T=None, cutoff=0): - parityData={} - for key in approxKinetics: - if T is None: - T=getAverageTemp(exactKinetics[key]) - exact=exactKinetics[key].getRateCoefficient(T) - approx=approxKinetics[key].getRateCoefficient(T) - dataPoint=[exact, approx] - if cutoff!=0 and math.log10((float(exact)/float(approx)))**2 > cutoff**2: - continue - parityData[key]=dataPoint - - - - - return parityData - -"""calculates the predicted root mean square error""" -def calculateQ(parityData): - Q=0 - for key, value in parityData.iteritems(): - Q+=(math.log10(value[0]/value[1]))**2 - return (Q/len(parityData))**0.5 - -def createParityPlot(parityData): - - #unpack the data - keyList=parityData.keys() - xAxis=[] - yAxis=[] - for key in keyList: - xAxis.append(parityData[key][0]) - yAxis.append(parityData[key][1]) - - plt.loglog(xAxis,yAxis, 'ks') - - minimum=min(min(xAxis), min(yAxis)) - maximum=max(max(xAxis), max(yAxis)) - plt.loglog([minimum/10,maximum*10], [minimum/10,maximum*10], 'k') - plt.loglog([minimum*10,maximum*10], [minimum/10,maximum/10], 'k--') - plt.loglog([minimum/10,maximum/10],[minimum*10,maximum*10], 'k--') - plt.xlabel('Actual rate coefficient (cm^3/mol-s)') - plt.ylabel('Estimated rate coefficient (cm^3/mol-s)') - plt.axis([minimum/10, maximum*10, minimum/10, maximum*10]) - -def countNodes(family): - countList=[family.label] - - #get top nodes - forwardTemplate = family.groups.top[:] - - temporary = [] - symmetricTree = False - for entry in forwardTemplate: - if entry not in temporary: - temporary.append(entry) - else: - # duplicate node found at top of tree - # eg. R_recombination: ['Y_rad', 'Y_rad'] - assert len(forwardTemplate)==2 , 'Can currently only do symmetric trees with nothing else in them' - symmetricTree = True - forwardTemplate = temporary - - for group in forwardTemplate: - checkList=[group] - childrenList=[group] - while len(checkList)>0: - childrenList.extend(checkList[0].children) - checkList.extend(checkList[0].children) - del checkList[0] - - countList.append(len(childrenList)) - return countList - - -def getKineticsFromRules(family, entryKey): - - #initalize family - family.addKineticsRulesFromTrainingSet(thermoDatabase=FullDatabase.thermo) - family.fillKineticsRulesByAveragingUp() - - entryKeys=re.split(';', entryKey) - - template=[] - for key in entryKeys: - template.append(family.groups.entries[key]) - - return family.rules.estimateKinetics(template) - - -########################################################################################################### -########################################################################################################### -########################################################################################################### -########################################################################################################### -########################################################################################################### -########################################################################################################### -########################################################################################################### -########################################################################################################### -#Functions for the full Database - -def countNodesAll(FullDatabase, trialDir): - for family in FullDatabase.kinetics.families.values(): - family.addKineticsRulesFromTrainingSet(thermoDatabase=FullDatabase.thermo) - - allFamilyNames=FullDatabase.kinetics.families.keys() - - familyCount={} - - for familyName in allFamilyNames: - family=FullDatabase.kinetics.families[familyName] - print "Processing", familyName + '...', '(' + str(len(family.rules.entries)) + ' nodes)' - familyCount[familyName]=countNodes(family) - - with open(os.path.join(trialDir, 'NodeCount.csv'), 'wb') as csvfile: - csvwriter=csv.writer(csvfile) - for key, value in familyCount.iteritems(): - csvwriter.writerow(value) - -def consistencyTest(FullDatabase): - - for family in FullDatabase.kinetics.families.values(): - family.addKineticsRulesFromTrainingSet(thermoDatabase=FullDatabase.thermo) - - - allFamilyNames=FullDatabase.kinetics.families.keys() -# familyName='2+2_cycloaddition_CO' -# allFamilyNames=[familyName] - - incorrectNodes={} - logicErrorNodes={} - - for familyName in allFamilyNames: - family=FullDatabase.kinetics.families[familyName] - print "Processing", familyName + '...', '(' + str(len(family.rules.entries)) + ' nodes)' - entryKeys=family.rules.entries.keys() - index=0 - for entryKey in entryKeys: - try: - index+=1 - print entryKey, index - family.getReactionTemplate(family.rules.entries[entryKey][0].item) - - except UndeterminableKineticsError: - if family.label in incorrectNodes.keys(): - incorrectNodes[family.label].append([entryKey, index]) - else: - incorrectNodes[family.label]=[[entryKey, index]] - - except AttributeError: - if family.label in logicErrorNodes.keys(): - logicErrorNodes[family.label].append(entryKey) - else: - logicErrorNodes[family.label]=[entryKey] - - print 'Nodes that need correcting:' - for badFamily, badValues in incorrectNodes.iteritems(): - print badFamily, badValues - - print '\n' - print 'Logic errors caused by unhandled groups:' - for badFamily, badValues in logicErrorNodes.iteritems(): - print badFamily, badValues - - return incorrectNodes, logicErrorNodes - -def NISTExact(FullDatabase, trialDir): - if not os.path.exists(trialDir): - os.makedirs(trialDir) - - trialDir=os.path.join(trialDir, 'NISTExact') - if not os.path.exists(trialDir): - os.makedirs(trialDir) - - for family in FullDatabase.kinetics.families.values(): - family.addKineticsRulesFromTrainingSet(thermoDatabase=FullDatabase.thermo) - - - allFamilyNames=FullDatabase.kinetics.families.keys() -# familyName='Disproportionation' -# allFamilyNames=[familyName] - - missingGroups=[] - QDict={} - familiesWithErrors=[] - for familyName in allFamilyNames: - family=FullDatabase.kinetics.families[familyName] - print "Processing", familyName + '...', '(' + str(len(family.rules.entries)) + ' nodes)' - if len(family.rules.entries) < 2: - print ' Skipping', familyName, ': only has one node...' - else: - ##getKineticsDepository - exactKinetics, approxKinetics, missingGroups=getKineticsDepository(family, 'NIST', missingGroups) - - #prune for exact matches only - keysToRemove=[] - for key, kinetics in approxKinetics.iteritems(): - if not re.search('Exact', kinetics.comment): - keysToRemove.append(key) - - for key in keysToRemove: - del approxKinetics[key] - - try: - parityData=analyzeForParity(exactKinetics, approxKinetics, None, 8) - except KeyError: - familiesWithErrors.append(family.label) - continue - if len(parityData)<2: - print ' Skipping', familyName, ': only one node was calculated...' - continue - QDict[familyName]=calculateQ(parityData) - createParityPlot(parityData) - plt.title(familyName) - plt.savefig(os.path.join(trialDir, familyName +'.png')) - plt.clf() - - if not os.path.exists(os.path.join(os.path.join(trialDir, 'ParityData'))): - os.makedirs(os.path.join(trialDir, 'ParityData')) - - with open(os.path.join(trialDir, 'ParityData', familyName + '.csv'), 'wb') as csvfile: - csvwriter=csv.writer(csvfile) - for key, value in parityData.iteritems(): - csvwriter.writerow([key, value[0]/value[1], approxKinetics[key].comment]) - - with open(os.path.join(trialDir, 'QDict_LOO.csv'), 'wb') as csvfile: - csvwriter=csv.writer(csvfile) - for key, value in QDict.iteritems(): - csvwriter.writerow([key, value]) - - with open(os.path.join(trialDir, 'missingNodes.csv'), 'wb') as csvfile: - csvwriter=csv.writer(csvfile) - for missingNode in missingGroups: - csvwriter.writerow(missingNode) - - print 'These families had errors:', familiesWithErrors -# return - -"""Performs leave one out analysis on the entire database""" -def LeaveOneOut(FullDatabase, trialDir): - if not os.path.exists(trialDir): - os.makedirs(trialDir) - - trialDir=os.path.join(trialDir, 'LeaveOneOut') - if not os.path.exists(trialDir): - os.makedirs(trialDir) - - for family in FullDatabase.kinetics.families.values(): - family.addKineticsRulesFromTrainingSet(thermoDatabase=FullDatabase.thermo) - -# familyName='intra_substitutionCS_isomerization' -# allFamilyNames=[familyName] - allFamilyNames=FullDatabase.kinetics.families.keys() - - missingGroups=[] - QDict={} - familiesWithErrors=[] - for familyName in allFamilyNames: - family=FullDatabase.kinetics.families[familyName] - print "Processing", familyName + '...', '(' + str(len(family.rules.entries)) + ' nodes)' - if len(family.rules.entries) < 2: - print ' Skipping', familyName, ': only has one node...' - else: - ##getKineticsLeaveOneOut - exactKinetics, approxKinetics, missingGroups=getKineticsLeaveOneOut(family, missingGroups) - try: - parityData=analyzeForParity(exactKinetics, approxKinetics, None, 8) - except KeyError: - familiesWithErrors.append(family.label) - continue - if len(parityData)<2: - print ' Skipping', familyName, ': only one node was calculated...' - continue - QDict[familyName]=calculateQ(parityData) - createParityPlot(parityData) - plt.title(familyName) - plt.savefig(os.path.join(trialDir, familyName +'.png')) - plt.clf() - - if not os.path.exists(os.path.join(os.path.join(trialDir, 'ParityData'))): - os.makedirs(os.path.join(trialDir, 'ParityData')) - - with open(os.path.join(trialDir, 'ParityData', familyName + '.csv'), 'wb') as csvfile: - csvwriter=csv.writer(csvfile) - for key, value in parityData.iteritems(): - csvwriter.writerow([key, value[0]/value[1], approxKinetics[key].comment]) - - with open(os.path.join(trialDir, 'QDict_LOO.csv'), 'wb') as csvfile: - csvwriter=csv.writer(csvfile) - for key, value in QDict.iteritems(): - csvwriter.writerow([key, value]) - - with open(os.path.join(trialDir, 'missingNodes.csv'), 'wb') as csvfile: - csvwriter=csv.writer(csvfile) - for missingNode in missingGroups: - csvwriter.writerow(missingNode) - - print 'These families had errors:', familiesWithErrors - return - -def checkFamilies(FullDatabase): - familyStatus={} - for family in FullDatabase.kinetics.families: - print family - familyStatus[family]=FullDatabase.kinetics.families[family].checkWellFormed() - - with open(r'DatabaseWellFormedSummary.txt', 'wb') as outputFile: - for family, problems in familyStatus.iteritems(): - problemsExist=[] - for problem in problems: - problemsExist.append(not problem==[] and not problem=={}) - if True in problemsExist: - outputFile.write(family + '\n') - if problemsExist[0]: - outputFile.write('\n' + 'These groups exist in rules.py but not groups.py:' + '\n' + "A suggested match could be incorrect, but if 'No match' is written, it is true (and most unfortunate)" + '\n') - for group, matchedGroups in problems[0].iteritems(): - outputFile.write(group + ', Suggested match from groups.py: ') - for matchedGroup in matchedGroups: - if matchedGroup==matchedGroups[-1]: - if len(matchedGroups)>1: - outputFile.write('and ') - outputFile.write(matchedGroup + '\n') - else: - outputFile.write(matchedGroup +', ' ) - if problemsExist[1]: - outputFile.write('\n' + 'These groups do not match the definition in the rule' + '\n') - for rule, groups in problems[1].iteritems(): - for group in groups: - if group==groups[-1]: - if len(groups)>1: - outputFile.write('and ') - outputFile.write(group + ' ') - else: - outputFile.write(group +', ' ) - outputFile.write('in ' + rule + '\n') - if problemsExist[2]: - outputFile.write('\n' + 'These groups are not in the tree:' + '\n') - for group in problems[2]: - outputFile.write(group + '\n') - if problemsExist[3]: - outputFile.write('\n' + 'These groups are not unique' + '\n') - for key, groups in problems[3].iteritems(): - outputFile.write(key + ' matches ') - for group in groups: - if group==groups[-1]: - if len(groups)>1: - outputFile.write('and ') - outputFile.write(group + '\n') - else: - outputFile.write(group +', ' ) - if problemsExist[4]: - outputFile.write('\n' + 'These groups are not actually subgroups of their parent' + '\n') - for group, parent in problems[4].iteritems(): - outputFile.write('Child: ' + group + ', Parent: ' + parent + '\n') - if problemsExist[5]: - outputFile.write('\n' + 'These groups are probably products, but you should check them anyway' + '\n') - for group in problems[5]: - outputFile.write(group + '\n') - outputFile.write('\n\n') -if __name__ == '__main__': - - databaseProjectRootPath = os.path.dirname( os.path.abspath( __file__ )) - #Thermo stuff -# ThermoDatabase=ThermoDatabase() -# ThermoDatabase.load(path) -# ThermoDatabase.save(r'C:\RMG-database\input\thermo_test') -# ThermoDatabase.save(path) - FullDatabase=RMGDatabase() -# path=r'C:\RMG-database\input\thermo' - path = os.path.join(databaseProjectRootPath, 'input') -# FullDatabase.load(thermoLibraries=) - FullDatabase.load(path, kineticsFamilies='all') - checkFamilies(FullDatabase) -# trialDir=r'C:\Users\User1\Dropbox\Research\RMG\kinetics\LeaveOneOut\test' -# trialDir=r'C:\RMG-database\input_test' -# family=FullDatabase.kinetics.families['Disproportionation'] -# entryKey='Y_1centerbirad;O_Cdrad' -# -# test=getKineticsFromRules(family, entryKey) -# -# print test.comment -# print test - -# NISTExact(FullDatabase, trialDir) -# countNodesAll(NISTDatabase, trialDir) -# consistencyTest(FullDatabase) -# LeaveOneOut(FullDatabase, trialDir) - \ No newline at end of file From 3fb3bcaa10f9c421423eeb85665bff2b0f50b06e Mon Sep 17 00:00:00 2001 From: Connie Gao Date: Tue, 14 Jul 2015 15:23:07 -0400 Subject: [PATCH 08/20] Delete rewriteDepositories.py script This script was meant for updating to new database format. It is no longer needed and not meant for user use. --- rewriteDepositories.py | 56 ------------------------------------------ 1 file changed, 56 deletions(-) delete mode 100644 rewriteDepositories.py diff --git a/rewriteDepositories.py b/rewriteDepositories.py deleted file mode 100644 index 40b684cd16..0000000000 --- a/rewriteDepositories.py +++ /dev/null @@ -1,56 +0,0 @@ -#!/usr/bin/env python -# encoding: utf-8 - -import os - -from rmgpy import settings -from rmgpy.data.kinetics import KineticsDatabase, saveEntry - - -############################################################################### - - -def main(): - - db = KineticsDatabase() - db.loadFamilies(os.path.join(settings['database.directory'], - 'kinetics/families')) - - for family in db.families.values(): - for depository in family.depositories: - if 'NIST' in depository.name: - entries = depository.entries.values() - entries.sort(key=lambda entry: sum([1 for r in entry.item.reactants for a in r.atoms if a.isNonHydrogen()])) - print 'Rewriting {0}...'.format(depository.name), - rewrite(entries, depository.name) - print 'done.' - - -############################################################################### - - -def rewrite(entries, name): - - file = os.path.join(settings['database.directory'], 'kinetics/families', - '{0}.py'.format(name)) - - open(file, 'w').write('#!/usr/bin/env python\n' - '# encoding: utf-8\n\n' - 'name = "{0}"\n'.format(name) + - 'shortDesc = u""\n' - 'longDesc = u"""\n\n"""\n' - 'recommended = False\n\n') - - index = 0 - for entry in entries: - index += 1 - entry.index = index - saveEntry(open(file, 'a'), entry) - - -############################################################################### - - -if __name__ == '__main__': - - main() From 13240e1290a63910d27e2716b6127b5fb5f1577f Mon Sep 17 00:00:00 2001 From: Connie Gao Date: Tue, 14 Jul 2015 15:25:18 -0400 Subject: [PATCH 09/20] Delete importOldPyDatabase.py This script was used to upgrade the Py Database to the new adjacency list format. It is no longer useful and also not a script most users should be using. --- importOldPyDatabase.py | 36 ------------------------------------ 1 file changed, 36 deletions(-) delete mode 100644 importOldPyDatabase.py diff --git a/importOldPyDatabase.py b/importOldPyDatabase.py deleted file mode 100644 index 94c26dbb5e..0000000000 --- a/importOldPyDatabase.py +++ /dev/null @@ -1,36 +0,0 @@ -#!/usr/bin/env python -# encoding: utf-8 - -""" -This script imports an RMG-Java database from the output directory and saves -it in the input directory. -""" - -import math -import os.path -import sys -import time -import subprocess -import os - -from rmgpy.kinetics import KineticsData -from rmgpy.data.kinetics import KineticsDatabase, KineticsGroups -from rmgpy.data.rmg import RMGDatabase - - -################################################################################ - -if __name__ == '__main__': - - # Set the import and export paths - oldPath = 'input' - newPath = 'input_new' - - print 'Loading old RMG-Py database...' - database = RMGDatabase() - database.load(oldPath, kineticsFamilies='all', kineticsDepositories='all') - - - print 'Saving the new RMG-Py database...' - database.save(newPath) - print "Done!" From d27bb35aab218b5adec0ef585326e2a657ada97c Mon Sep 17 00:00:00 2001 From: Connie Gao Date: Tue, 14 Jul 2015 15:27:48 -0400 Subject: [PATCH 10/20] Move entire set of scripts to a scripts folder. Helps keep parent folder clean. --- evansPolanyi.py => scripts/evansPolanyi.py | 0 .../exportKineticsLibraryToChemkin.py | 0 exportOldDatabase.py => scripts/exportOldDatabase.py | 0 importChemkinLibrary.py => scripts/importChemkinLibrary.py | 0 .../importJavaKineticsLibrary.py | 0 importJavaThermoLibrary.py => scripts/importJavaThermoLibrary.py | 0 importOldDatabase.py => scripts/importOldDatabase.py | 0 kineticsGroups.py => scripts/kineticsGroups.py | 0 kineticsTraining.py => scripts/kineticsTraining.py | 0 9 files changed, 0 insertions(+), 0 deletions(-) rename evansPolanyi.py => scripts/evansPolanyi.py (100%) rename exportKineticsLibraryToChemkin.py => scripts/exportKineticsLibraryToChemkin.py (100%) rename exportOldDatabase.py => scripts/exportOldDatabase.py (100%) rename importChemkinLibrary.py => scripts/importChemkinLibrary.py (100%) rename importJavaKineticsLibrary.py => scripts/importJavaKineticsLibrary.py (100%) rename importJavaThermoLibrary.py => scripts/importJavaThermoLibrary.py (100%) rename importOldDatabase.py => scripts/importOldDatabase.py (100%) rename kineticsGroups.py => scripts/kineticsGroups.py (100%) rename kineticsTraining.py => scripts/kineticsTraining.py (100%) diff --git a/evansPolanyi.py b/scripts/evansPolanyi.py similarity index 100% rename from evansPolanyi.py rename to scripts/evansPolanyi.py diff --git a/exportKineticsLibraryToChemkin.py b/scripts/exportKineticsLibraryToChemkin.py similarity index 100% rename from exportKineticsLibraryToChemkin.py rename to scripts/exportKineticsLibraryToChemkin.py diff --git a/exportOldDatabase.py b/scripts/exportOldDatabase.py similarity index 100% rename from exportOldDatabase.py rename to scripts/exportOldDatabase.py diff --git a/importChemkinLibrary.py b/scripts/importChemkinLibrary.py similarity index 100% rename from importChemkinLibrary.py rename to scripts/importChemkinLibrary.py diff --git a/importJavaKineticsLibrary.py b/scripts/importJavaKineticsLibrary.py similarity index 100% rename from importJavaKineticsLibrary.py rename to scripts/importJavaKineticsLibrary.py diff --git a/importJavaThermoLibrary.py b/scripts/importJavaThermoLibrary.py similarity index 100% rename from importJavaThermoLibrary.py rename to scripts/importJavaThermoLibrary.py diff --git a/importOldDatabase.py b/scripts/importOldDatabase.py similarity index 100% rename from importOldDatabase.py rename to scripts/importOldDatabase.py diff --git a/kineticsGroups.py b/scripts/kineticsGroups.py similarity index 100% rename from kineticsGroups.py rename to scripts/kineticsGroups.py diff --git a/kineticsTraining.py b/scripts/kineticsTraining.py similarity index 100% rename from kineticsTraining.py rename to scripts/kineticsTraining.py From 8147cfbb6ca66d15a99eeec00ec8eac899c524d1 Mon Sep 17 00:00:00 2001 From: Connie Gao Date: Tue, 14 Jul 2015 15:28:05 -0400 Subject: [PATCH 11/20] Update setup.py to reflect location of scripts folder --- setup.py | 7 +++++-- 1 file changed, 5 insertions(+), 2 deletions(-) diff --git a/setup.py b/setup.py index e3c3dda44a..56d4087ee0 100644 --- a/setup.py +++ b/setup.py @@ -35,9 +35,12 @@ print 'The distutils package is required to build or install RMG Py.' -scripts=['EvaluateKinetics.py', 'evansPolanyi.py', 'exportKineticsLibraryToChemkin.py', +scripts=['evansPolanyi.py', 'exportKineticsLibraryToChemkin.py', 'exportOldDatabase.py','importChemkinLibrary.py','importJavaKineticsLibrary.py','importJavaThermoLibrary.py', -'importOldDatabase.py','importOldPyDatabase.py','kineticsGroups.py','kineticsTraining.py','rewriteDepositories.py'] +'importOldDatabase.py','kineticsGroups.py','kineticsTraining.py'] + +scripts = ['scripts/' + scriptName for scriptName in scripts] + # Initiate the build and/or installation setup(name='RMG-database', From 5e5292c3f0b79632f69465a318750fe2cd8ad1b5 Mon Sep 17 00:00:00 2001 From: Connie Gao Date: Tue, 14 Jul 2015 15:49:49 -0400 Subject: [PATCH 12/20] Fix exportKineticsLibraryToChemkin.py script - Remove hardcoded paths - fix kineticLibrary.getSpecies function call --- scripts/exportKineticsLibraryToChemkin.py | 7 +++++-- 1 file changed, 5 insertions(+), 2 deletions(-) diff --git a/scripts/exportKineticsLibraryToChemkin.py b/scripts/exportKineticsLibraryToChemkin.py index 88c863fa64..a026848b74 100644 --- a/scripts/exportKineticsLibraryToChemkin.py +++ b/scripts/exportKineticsLibraryToChemkin.py @@ -15,9 +15,11 @@ LIBRARYNAME the libraryname of the RMG-Py format kinetics library """ import argparse +import os from rmgpy.data.rmg import RMGDatabase from rmgpy.chemkin import saveChemkinFile, saveSpeciesDictionary from rmgpy.rmg.model import Species +from rmgpy import settings ################################################################################ @@ -30,7 +32,7 @@ print 'Loading RMG-Py database...' database = RMGDatabase() - database.load('input/', kineticsFamilies='all', kineticsDepositories='all') + database.load(settings['database.directory'], kineticsFamilies='all', kineticsDepositories='all') print 'Loading {0} library'.format(libraryName) @@ -44,7 +46,8 @@ speciesList = [] index = 0 - for spec in kineticLibrary.getSpecies().values(): + speciesDict = kineticLibrary.getSpecies(os.path.join(settings['database.directory'],'kinetics', 'libraries', libraryName, 'dictionary.txt')) + for spec in speciesDict.values(): index = index + 1 species = Species(molecule = spec.molecule) species.generateThermoData(database) From 24cf7407fe850e36cc8bc802a8c8aa077c9fec86 Mon Sep 17 00:00:00 2001 From: Connie Gao Date: Tue, 14 Jul 2015 16:03:40 -0400 Subject: [PATCH 13/20] Fix importChemkinLibrary.py - Fix hardcoded paths - Fix the way species labels are saved. --- scripts/importChemkinLibrary.py | 20 ++++++++++++-------- 1 file changed, 12 insertions(+), 8 deletions(-) diff --git a/scripts/importChemkinLibrary.py b/scripts/importChemkinLibrary.py index 498ada509a..25e5fc12e6 100644 --- a/scripts/importChemkinLibrary.py +++ b/scripts/importChemkinLibrary.py @@ -4,18 +4,17 @@ """ This script imports a chemkin file (along with RMG dictionary) from a local directory and saves a set of RMG-Py kinetics library and thermo library files. These py files are automatically added to the -input/kinetics/libraries and input/thermo/libraries folder under the user-specified `name` for the chemkin library. +appropriate kinetics/libraries and thermo/libraries folder under the user-specified `name` for the chemkin library. """ import argparse -import time import logging import os from rmgpy.data.thermo import ThermoLibrary from rmgpy.data.kinetics import KineticsLibrary from rmgpy.data.base import Entry -from rmgpy.molecule import Molecule -from rmgpy.chemkin import loadChemkinFile +from rmgpy.chemkin import loadChemkinFile, getSpeciesIdentifier +from rmgpy import settings if __name__ == '__main__': @@ -34,6 +33,10 @@ speciesList, reactionList = loadChemkinFile(chemkinPath, dictionaryPath) + # Make full species identifier the species labels + for species in speciesList: + species.label = getSpeciesIdentifier(species) + species.index = -1 # load thermo library entries thermoLibrary = ThermoLibrary() for i in range(len(speciesList)): @@ -66,11 +69,12 @@ kineticsLibrary.convertDuplicatesToMulti() # Save in Py format + databaseDirectory = settings['database.directory'] try: - os.makedirs(os.join('input/kinetics/libraries/',name)) + os.makedirs(os.path.join(databaseDirectory, 'kinetics', 'libraries',name)) except: pass - thermoLibrary.save(os.path.join('input/thermo/libraries', name + '.py')) - kineticsLibrary.save(os.path.join('input/kinetics/libraries/', name, 'reactions.py')) - kineticsLibrary.saveDictionary(os.path.join('input/kinetics/libraries/', name, 'dictionary.txt')) + thermoLibrary.save(os.path.join(databaseDirectory, 'thermo' ,' libraries', name + '.py')) + kineticsLibrary.save(os.path.join(databaseDirectory, 'kinetics', 'libraries', name, 'reactions.py')) + kineticsLibrary.saveDictionary(os.path.join(databaseDirectory, 'kinetics', 'libraries', name, 'dictionary.txt')) From 5e5b95300cff12ff7650d54897ed459008ffe680 Mon Sep 17 00:00:00 2001 From: Connie Gao Date: Tue, 14 Jul 2015 16:11:41 -0400 Subject: [PATCH 14/20] Remove hardcoded path to database in old scripts - Switch to using rmgpy settings database.directory - Also removed the git history saving in kineticGroups.py script --- scripts/evansPolanyi.py | 5 +++-- scripts/kineticsGroups.py | 12 +++--------- scripts/kineticsTraining.py | 6 ++++-- 3 files changed, 10 insertions(+), 13 deletions(-) diff --git a/scripts/evansPolanyi.py b/scripts/evansPolanyi.py index 43f8b5f75e..e78dade500 100644 --- a/scripts/evansPolanyi.py +++ b/scripts/evansPolanyi.py @@ -197,9 +197,10 @@ def onpick(event): print 'Loading RMG database...' from rmgpy.data.rmg import RMGDatabase + from rmgpy import settings database = RMGDatabase() - database.load('input') - + database.load(settings['database.directory'], kineticsFamilies='all', kineticsDepositories='all') + try: depositories = [database.kinetics.depository[label] for label in args.depository] except KeyError: diff --git a/scripts/kineticsGroups.py b/scripts/kineticsGroups.py index 6369073782..eab3923351 100644 --- a/scripts/kineticsGroups.py +++ b/scripts/kineticsGroups.py @@ -23,9 +23,7 @@ from rmgpy.kinetics import Arrhenius, ArrheniusEP, KineticsData from rmgpy.data.base import getAllCombinations from rmgpy.species import Species - -from importOldDatabase import getUsername -user = getUsername() +from rmgpy import settings ################################################################################ @@ -33,7 +31,7 @@ def loadDatabase(): print 'Loading RMG database...' from rmgpy.data.rmg import RMGDatabase database = RMGDatabase() - database.load('input') + database.load(settings['database.directory'], kineticsFamilies='all', kineticsDepositories='all') return database def convertKineticsToPerSiteBasis(kinetics, degeneracy): @@ -143,12 +141,8 @@ def generate(args): changed = family.groups.generateGroupAdditivityValues(trainingSet, kunits, method=method) if changed: - # Add a note to the history of each changed item indicating that we've generated new group values - event = [time.asctime(),user,'action','Generated new group additivity values for this entry.'] - for entry in family.groups.entries.values(): - entry.history.append(event) # Save the new group values to disk - family.saveGroups(os.path.join('input', 'kinetics', 'families', label, 'groups.py')) + family.saveGroups(os.path.join(settings['database.directory'], 'kinetics', 'families', label, 'groups.py')) ################################################################################ diff --git a/scripts/kineticsTraining.py b/scripts/kineticsTraining.py index 34ba185631..0e088d6c93 100644 --- a/scripts/kineticsTraining.py +++ b/scripts/kineticsTraining.py @@ -381,7 +381,8 @@ def generateEntry(reaction, kinetics, index, ci): Tmax = 2000 def getPath(family, index): - return os.path.join(os.path.dirname(os.path.abspath(__file__)), 'input', 'kinetics', 'families', family, 'training', '{0}.py'.format(index)) + from rmgpy import settings + return os.path.join(settings['database.directory'], 'kinetics', 'families', family, 'training', '{0}.py'.format(index)) def generate(args): """ @@ -453,6 +454,7 @@ def evaluate(args): if __name__ == '__main__': import argparse + from rmgpy import settings parser = argparse.ArgumentParser() subparsers = parser.add_subparsers(dest='command', help='') @@ -471,7 +473,7 @@ def evaluate(args): args = parser.parse_args() - loadThermoDatabase(os.path.join(os.path.dirname(os.path.abspath(__file__)), 'input', 'thermo')) + loadThermoDatabase(os.path.join(settings['database.directory'], 'thermo')) try: args.run(args) From 079c224d95ccca4d4a75d1743c79a3e480990d6f Mon Sep 17 00:00:00 2001 From: Connie Gao Date: Tue, 14 Jul 2015 16:16:25 -0400 Subject: [PATCH 15/20] Fix importJavaKineticsLibrary.py script - Remove hardcoded loading of path, use rmgpy settings database.directory instead - Add fix for making library name directory --- scripts/importJavaKineticsLibrary.py | 11 ++++++++--- 1 file changed, 8 insertions(+), 3 deletions(-) diff --git a/scripts/importJavaKineticsLibrary.py b/scripts/importJavaKineticsLibrary.py index c44c58680e..9a5ed497bc 100644 --- a/scripts/importJavaKineticsLibrary.py +++ b/scripts/importJavaKineticsLibrary.py @@ -19,6 +19,7 @@ import argparse import os from rmgpy.data.kinetics import KineticsLibrary +from rmgpy import settings if __name__ == '__main__': @@ -35,7 +36,11 @@ library = KineticsLibrary() library.loadOld(inputPath) - + try: + os.makedirs(os.path.join(settings['database.directory'], 'kinetics', 'libraries', libraryName)) + except: + pass + # Save in Py format - library.save(os.path.join('input/kinetics/libraries/', libraryName, 'reactions.py')) - library.saveDictionary(os.path.join('input/kinetics/libraries/', libraryName, 'dictionary.txt')) + library.save(os.path.join(settings['database.directory'], 'kinetics', 'libraries', libraryName, 'reactions.py')) + library.saveDictionary(os.path.join(settings['database.directory'], 'kinetics', 'libraries', libraryName,'dictionary.txt')) From 22a185ba657e317c1c53a7799d5992ea3f6a5315 Mon Sep 17 00:00:00 2001 From: Connie Gao Date: Tue, 14 Jul 2015 16:18:36 -0400 Subject: [PATCH 16/20] Fix importJavaThermoLibrary.py script - Remove hardcoding of database directory. Use rmgpy settings database.directory --- scripts/importJavaThermoLibrary.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/scripts/importJavaThermoLibrary.py b/scripts/importJavaThermoLibrary.py index 8b3b705242..37ee2ed6c8 100644 --- a/scripts/importJavaThermoLibrary.py +++ b/scripts/importJavaThermoLibrary.py @@ -19,6 +19,7 @@ import argparse import os from rmgpy.data.thermo import ThermoLibrary +from rmgpy import settings if __name__ == '__main__': @@ -44,4 +45,4 @@ library.name = libraryName # Save in Py format - library.save(os.path.join('input/thermo/libraries/', libraryName+'.py')) + library.save(os.path.join(settings['database.directory'], 'thermo', 'libraries', libraryName+'.py')) From d56254527998982b3952fe4beed87ae3c51998a5 Mon Sep 17 00:00:00 2001 From: Connie Gao Date: Tue, 14 Jul 2015 16:25:53 -0400 Subject: [PATCH 17/20] Fix importOldDatabase.py script - Create argparse usage for input and output database paths --- scripts/importOldDatabase.py | 36 ++++++++++++++++++++++-------------- 1 file changed, 22 insertions(+), 14 deletions(-) diff --git a/scripts/importOldDatabase.py b/scripts/importOldDatabase.py index 7bd2f1ab59..8364d09ef4 100644 --- a/scripts/importOldDatabase.py +++ b/scripts/importOldDatabase.py @@ -3,18 +3,14 @@ """ This script imports an RMG-Java database from the output directory and saves -it in the input directory. +it in the user-specified database directory. + +The outputDirectory can then be used to overwrite the existing RMG-database files. """ -import math -import os.path -import sys -import time -import subprocess import os +import argparse -from rmgpy.kinetics import KineticsData -from rmgpy.data.kinetics import KineticsDatabase, KineticsGroups from rmgpy.data.rmg import RMGDatabase ################################################################################ @@ -22,15 +18,27 @@ if __name__ == '__main__': - - # Set the import and export paths - oldPath = 'output/RMG_database' + parser = argparse.ArgumentParser() + parser.add_argument('inputPath', metavar='INPUT', type=str, nargs=1, + help='the input path of the RMG-Java database directory') + parser.add_argument('outputPath', metavar='OUTPUT', type=str, nargs=1, + help='output path for the desired RMG-Py database directory') + + args = parser.parse_args() + inputPath = args.inputPath[0] + outputPath = args.outputPath[0] + newPath = 'input' print 'Loading old RMG-Java database...' database = RMGDatabase() - database.loadOld(oldPath) - + database.loadOld(inputPath) + + try: + os.makedirs(outputPath) + except: + pass + print 'Saving the new RMG-Py database...' - database.save(newPath) + database.save(outputPath) print "Done!" From 09bf563cf7f243ce231463c27964273b0c73e037 Mon Sep 17 00:00:00 2001 From: Connie Gao Date: Tue, 14 Jul 2015 16:32:50 -0400 Subject: [PATCH 18/20] Fix exportOldDatabase.py script - Use argparse for describing output path - Remove hardcoded paths --- scripts/exportOldDatabase.py | 35 +++++++++++++---------------------- 1 file changed, 13 insertions(+), 22 deletions(-) diff --git a/scripts/exportOldDatabase.py b/scripts/exportOldDatabase.py index 0a381218fc..ee29be0ba9 100644 --- a/scripts/exportOldDatabase.py +++ b/scripts/exportOldDatabase.py @@ -8,26 +8,9 @@ """ import os -import sys -import logging +import argparse from rmgpy.data.rmg import RMGDatabase -from rmgpy.data.base import Entry -from rmgpy.reaction import Reaction -from rmgpy.kinetics import Arrhenius, ArrheniusEP, KineticsData - -############################################################################### - - -def main(): - - if len(sys.argv) != 3: - raise Exception('You must pass input and output ' - 'directories as parameters.') - - newPath = sys.argv[1] - oldPath = os.path.join(sys.argv[2], 'RMG_database') - - export(newPath, oldPath) +from rmgpy import settings ############################################################################### @@ -38,7 +21,7 @@ def export(input, output, database=None): print 'Loading the new RMG-Py database...' if not database: database = RMGDatabase() - database.load(input) + database.load(input, kineticsFamilies='all', kineticsDepositories='all') print 'Constructing additional rate rules from kinetics depository...' for family in database.kinetics.families.values(): @@ -56,5 +39,13 @@ def export(input, output, database=None): if __name__ == '__main__': - logging.getLogger().setLevel(logging.INFO) - main() + + parser = argparse.ArgumentParser() + parser.add_argument('outputPath', metavar='OUTPUT', type=str, nargs=1, + help='the outputPath for the RMG-Java database directory') + + args = parser.parse_args() + outputPath = args.outputPath[0] + + inputPath = settings['database.directory'] + export(inputPath, outputPath) From 087542fbed1e57cf2d9d3074537f93fbb2754c50 Mon Sep 17 00:00:00 2001 From: Connie Gao Date: Tue, 14 Jul 2015 16:35:28 -0400 Subject: [PATCH 19/20] Delete 'output' folder in RMG-database - This is not very useful and is a duplicate of RMG-Java's database, but not actually up to date. - The importOldDatabase.py script now can point to a user-specified directory, so we should not be keeping this output folder around. --- output/RMG_database/ForbiddenStructures.txt | 123 - .../frequencies_groups/Dictionary.txt | 1059 -- .../frequencies_groups/Library.txt | 2 - .../RMG_database/frequencies_groups/Tree.txt | 41 - .../1+2_Cycloaddition/comments.rst | 57 - .../1+2_Cycloaddition/dictionary.txt | 355 - .../1+2_Cycloaddition/rateLibrary.txt | 39 - .../1+2_Cycloaddition/reactionAdjList.txt | 23 - .../1+2_Cycloaddition/tree.txt | 55 - .../1,2-Birad_to_alkene/dictionary.txt | 197 - .../1,2-Birad_to_alkene/rateLibrary.txt | 35 - .../1,2-Birad_to_alkene/reactionAdjList.txt | 19 - .../1,2-Birad_to_alkene/tree.txt | 18 - .../1,2_Insertion/comments.rst | 11 - .../1,2_Insertion/dictionary.txt | 379 - .../1,2_Insertion/rateLibrary.txt | 28 - .../1,2_Insertion/reactionAdjList.txt | 24 - .../kinetics_groups/1,2_Insertion/tree.txt | 69 - .../kinetics_groups/1,2_shiftS/dictionary.txt | 716 - .../1,2_shiftS/rateLibrary.txt | 6 - .../1,2_shiftS/reactionAdjList.txt | 25 - .../kinetics_groups/1,2_shiftS/tree.txt | 133 - .../1,3_Insertion_CO2/comments.rst | 6 - .../1,3_Insertion_CO2/dictionary.txt | 342 - .../1,3_Insertion_CO2/rateLibrary.txt | 25 - .../1,3_Insertion_CO2/reactionAdjList.txt | 25 - .../1,3_Insertion_CO2/tree.txt | 52 - .../1,3_Insertion_ROR/comments.rst | 3 - .../1,3_Insertion_ROR/dictionary.txt | 700 - .../1,3_Insertion_ROR/rateLibrary.txt | 50 - .../1,3_Insertion_ROR/reactionAdjList.txt | 25 - .../1,3_Insertion_ROR/tree.txt | 103 - .../1,3_Insertion_RSR/dictionary.txt | 682 - .../1,3_Insertion_RSR/rateLibrary.txt | 28 - .../1,3_Insertion_RSR/reactionAdjList.txt | 21 - .../1,3_Insertion_RSR/tree.txt | 103 - .../1,4_Cyclic_birad_scission/dictionary.txt | 31 - .../forbiddenGroups.txt | 0 .../1,4_Cyclic_birad_scission/rateLibrary.txt | 9 - .../reactionAdjList.txt | 22 - .../1,4_Cyclic_birad_scission/tree.txt | 5 - .../1,4_Linear_birad_scission/dictionary.txt | 8 - .../forbiddenGroups.txt | 0 .../1,4_Linear_birad_scission/rateLibrary.txt | 9 - .../reactionAdjList.txt | 24 - .../1,4_Linear_birad_scission/tree.txt | 6 - .../2+2_cycloaddition_CCO/comments.rst | 0 .../2+2_cycloaddition_CCO/dictionary.txt | 145 - .../2+2_cycloaddition_CCO/rateLibrary.txt | 14 - .../2+2_cycloaddition_CCO/reactionAdjList.txt | 23 - .../2+2_cycloaddition_CCO/tree.txt | 27 - .../2+2_cycloaddition_CO/comments.rst | 35 - .../2+2_cycloaddition_CO/dictionary.txt | 226 - .../2+2_cycloaddition_CO/rateLibrary.txt | 11 - .../2+2_cycloaddition_CO/reactionAdjList.txt | 23 - 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100644 output/liquid_oxidation/kinetics_groups/recombination/reactionAdjList.txt delete mode 100644 output/liquid_oxidation/kinetics_groups/recombination/tree.txt diff --git a/output/RMG_database/ForbiddenStructures.txt b/output/RMG_database/ForbiddenStructures.txt deleted file mode 100644 index 31bffa85ea..0000000000 --- a/output/RMG_database/ForbiddenStructures.txt +++ /dev/null @@ -1,123 +0,0 @@ -//O2b -//1 O 1 {2,S} -//2 O 1 {1,S} - -O3 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} - -O3. -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 1 {2,S} - -O3.. -1 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 O 1 {2,S} - -O4 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - -O4. -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 1 {3,S} - -O4.. -1 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 1 {3,S} - -Carbene_S -1 C 2T {2,S} -2 R!H 0 {1,S} - -Carbene_D -1 C 2T {2,D} -2 C 0 {1,D} - -// Cyclic C3O is a saddle point and immediately becomes -// linear C3O according to http://dx.doi.org/10.1039/b718817j -cyclic-C3O -1 C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {4,T} {1,S} -4 C 0 {3,T} {1,S} - -// Cyclopropyne is unstable according to http://dx.doi.org/10.1021/ja960762n -// but note that cyclopropene-1,2-diyl, which is the same geometry but with a -// double bond and 2 radicals instead of a triple bond, is stable and now in -// the primaryThermoLibrary. -cyclopropyne -1 C 0 {2,T} {3,S} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,S} {5,S} {1,S} -4 H 0 {3,S} -5 H 0 {3,S} - -//gmagoon 2/22/10: forbid physically unlikely cyclic cumulenic C3 species to prevent infinite recursion error in getToEndOfAxis; UPDATE: this issue should be fixed by my updates to ChemGraph, so we don't need to make this a forbiddenStructure -//cC3 -//1 C 0 {2,D} {3,D} -//2 C 0 {1,D} {3,D} -//3 C 0 {1,D} {2,D} - -//HCS -//1 C 1 {2,D} -//2 S 0 {1,D} - -S3 -1 S 0 {2,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} - -S3.. -1 S 1 {2,S} -2 S 0 {1,S} {3,S} -3 S 1 {2,S} - -C8H7S2J -1 S 0 {5,S} {11,S} -2 C 0 {3,D} {6,S} {18,S} -3 C 0 {4,S} {13,S} {2,D} -4 C 0 {3,S} {5,D} {7,S} -5 C 0 {4,D} {1,S} {8,S} -6 H 0 {2,S} -7 H 0 {4,S} -8 H 0 {5,S} -9 S 0 {10,S} {13,S} -10 C 0 {9,S} {11,S} {14,S} {15,S} -11 C 0 {10,S} {12,S} {1,S} {16,S} -12 C 0 {11,S} {13,D} {17,S} -13 C 0 {12,D} {9,S} {3,S} -14 H 0 {10,S} -15 H 0 {10,S} -16 H 0 {11,S} -17 H 0 {12,S} -18 H 0 {2,S} - -C8H7S2J(2) -1 S 0 {5,S} {11,S} -2 C 0 {3,D} {6,S} {18,S} -3 C 0 {4,S} {13,S} {2,D} -4 C 0 {3,S} {5,D} {7,S} -5 C 0 {4,D} {1,S} {8,S} -6 H 0 {2,S} -7 H 0 {4,S} -8 H 0 {5,S} -9 S 0 {10,S} {13,S} -10 C 0 {9,S} {11,S} {14,S} {15,S} -11 C 0 {10,S} {12,S} {1,S} {16,S} -12 C 0 {11,S} {13,D} {17,S} -13 C 0 {12,D} {9,S} {3,S} -14 H 0 {10,S} -15 H 0 {10,S} -16 H 0 {11,S} -17 H 0 {12,S} -18 H 0 {2,S} diff --git a/output/RMG_database/frequencies_groups/Dictionary.txt b/output/RMG_database/frequencies_groups/Dictionary.txt deleted file mode 100644 index 5a83d170e0..0000000000 --- a/output/RMG_database/frequencies_groups/Dictionary.txt +++ /dev/null @@ -1,1059 +0,0 @@ -//Frequency dictionary: devised by Franklin Goldsmith -//implemented by Greg Magoon: 11/13/08 (based off Group_Dictionary.txt for Thermo) -//"counting nodes" (those that are counted by Franklin's code) denoted by ### -//"potential counting nodes" (not currently handled by frankie, cf. https://github.com/GreenGroup/RMG-Java/commit/a171151e334dfa563f97632cb687347e314f8f9b) denoted by *** -//modified 11/18/08 since {} notation for radicals doesn't seem to work - - R!H //L0 - Union {R!Hx0,R!Hx1,R!Hx2} - - R!Hx0 - 1 * R!H 0 - - R!Hx1 - 1 * R!H 1 - - R!Hx2 - 1 * R!H 2 - - C_R0 // L1 Node: Carbon, no radicals - 1 * C 0 - - RsCH3 // L2 Node: single-bonded to exactly one heavy atom ### - Union {RsCH3x0, RsCH3x1, RsCH3x2} - - RsCH3x0 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - RsCH3x1 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 1 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - RsCH3x2 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 2 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - RdCH2 //L2 Node: double-bonded to one heavy atom ### - Union {RdCH2x0, RdCH2x1, RdCH2x2} - - RdCH2x0 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 0 {1,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - - RdCH2x1 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 1 {1,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - - RdCH2x2 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 2 {1,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - - CtCH //L2 Node: triple-bonded to one heavy atom (carbon) ### - Union {CtCHx0,CtCHx1} - - CtCHx0 - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} - 3 H 0 {1,S} - - CtCHx1 - 1 * C 0 {2,T} {3,S} - 2 C 1 {1,T} - 3 H 0 {1,S} - - RsCH2sR // L2 Node: single-bonded to exactly two heavy atoms ### - Union {RsCH2sRx00, RsCH2sRx11, RsCH2sRx01, RsCH2sRx02, RsCH2sRx12, RsCH2sRx22} - - RsCH2sRx00 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 0 {1,S} - 3 R!H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - RsCH2sRx11 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 1 {1,S} - 3 R!H 1 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - RsCH2sRx01 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 0 {1,S} - 3 R!H 1 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - RsCH2sRx02 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 0 {1,S} - 3 R!H 2 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - RsCH2sRx12 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 1 {1,S} - 3 R!H 2 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - RsCH2sRx22 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 2 {1,S} - 3 R!H 2 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Aldehyde // L2 Node: double-bonded to oxygen, single bonded to something else ### - Union {Aldehydex0, Aldehydex1, Aldehydex2} - - Aldehydex0 - 1 * C 0 {2,D} {3,S},{4,S} - 2 O 0 {1,D} - 3 R!H 0 {1,S} - 4 H 0 {1,S} - - Aldehydex1 - 1 * C 0 {2,D} {3,S},{4,S} - 2 O 0 {1,D} - 3 R!H 1 {1,S} - 4 H 0 {1,S} - - Aldehydex2 - 1 * C 0 {2,D} {3,S},{4,S} - 2 O 0 {1,D} - 3 R!H 2 {1,S} - 4 H 0 {1,S} - - Ketene // L2 Node: double-bonded to oxygen, double bonded to something else ### - Union {Ketenex0, Ketenex1, Ketenex2} - - Ketenex0 - 1 * C 0 {2,D} {3,D} - 2 O 0 {1,D} - 3 R!H 0 {1,D} - - Ketenex1 - 1 * C 0 {2,D} {3,D} - 2 O 0 {1,D} - 3 R!H 1 {1,D} - - Ketenex2 - 1 * C 0 {2,D} {3,D} - 2 O 0 {1,D} - 3 R!H 2 {1,D} - - Cumulene // L2 Node: double bonded to two carbons (cumulene) ### added by gmagoon - Union {Cumulenex00, Cumulenex01, Cumulenex11, Cumulenex02, Cumulenex12, Cumulenex22} - - Cumulenex00 - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} - 3 C 0 {1,D} - - Cumulenex01 - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} - 3 C 1 {1,D} - - Cumulenex11 - 1 * C 0 {2,D} {3,D} - 2 C 1 {1,D} - 3 C 1 {1,D} - - Cumulenex02 - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} - 3 C 2 {1,D} - - Cumulenex12 - 1 * C 0 {2,D} {3,D} - 2 C 1 {1,D} - 3 C 2 {1,D} - - Cumulenex22 - 1 * C 0 {2,D} {3,D} - 2 C 2 {1,D} - 3 C 2 {1,D} - - CdCHsR // L2 Node: double-bonded to carbon, single bonded to something else ### - Union {CdCHsRx00, CdCHsRx01,CdCHsRx10,CdCHsRx11,CdCHsRx02,CdCHsRx20,CdCHsRx12,CdCHsRx21,CdCHsRx22} - - CdCHsRx00 - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 R!H 0 {1,S} - 4 H 0 {1,S} - - CdCHsRx10 - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 1 {1,D} - 3 R!H 0 {1,S} - 4 H 0 {1,S} - - CdCHsRx01 - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 R!H 1 {1,S} - 4 H 0 {1,S} - - CdCHsRx11 - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 1 {1,D} - 3 R!H 1 {1,S} - 4 H 0 {1,S} - - CdCHsRx02 - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 R!H 2 {1,S} - 4 H 0 {1,S} - - CdCHsRx20 - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 2 {1,D} - 3 R!H 0 {1,S} - 4 H 0 {1,S} - - CdCHsRx12 - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 1 {1,D} - 3 R!H 2 {1,S} - 4 H 0 {1,S} - - CdCHsRx21 - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 2 {1,D} - 3 R!H 1 {1,S} - 4 H 0 {1,S} - - CdCHsRx22 - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 2 {1,D} - 3 R!H 2 {1,S} - 4 H 0 {1,S} - - CtCsR // L2 Node: triple-bonded to carbon, single bonded to something else ### - Union {CtCsRx00, CtCsRx01, CtCsRx10, CtCsRx11, CtCsRx02, CtCsRx12} - - CtCsRx00 - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} - 3 R!H 0 {1,S} - - CtCsRx01 - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} - 3 R!H 1 {1,S} - - CtCsRx10 - 1 * C 0 {2,T} {3,S} - 2 C 1 {1,T} - 3 R!H 0 {1,S} - - CtCsRx11 - 1 * C 0 {2,T} {3,S} - 2 C 1 {1,T} - 3 R!H 1 {1,S} - - CtCsRx02 - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} - 3 R!H 2 {1,S} - - CtCsRx12 - 1 * C 0 {2,T} {3,S} - 2 C 1 {1,T} - 3 R!H 2 {1,S} - - RsCHsR2 // L2 Node: single-bonded to exactly three heavy atoms and hydrogen ### - Union {RsCHsR2x000,RsCHsR2x111,RsCHsR2x222,RsCHsR2x001,RsCHsR2x002,RsCHsR2x110,RsCHsR2x112,RsCHsR2x220,RsCHsR2x221,RsCHsR2x012} - - RsCHsR2x000 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 0 {1,S} - 3 R!H 0 {1,S} - 4 R!H 0 {1,S} - 5 H 0 {1,S} - - RsCHsR2x111 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 1 {1,S} - 3 R!H 1 {1,S} - 4 R!H 1 {1,S} - 5 H 0 {1,S} - - RsCHsR2x222 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 2 {1,S} - 3 R!H 2 {1,S} - 4 R!H 2 {1,S} - 5 H 0 {1,S} - - RsCHsR2x001 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 0 {1,S} - 3 R!H 0 {1,S} - 4 R!H 1 {1,S} - 5 H 0 {1,S} - - RsCHsR2x002 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 0 {1,S} - 3 R!H 0 {1,S} - 4 R!H 2 {1,S} - 5 H 0 {1,S} - - RsCHsR2x110 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 1 {1,S} - 3 R!H 1 {1,S} - 4 R!H 0 {1,S} - 5 H 0 {1,S} - - RsCHsR2x112 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 1 {1,S} - 3 R!H 1 {1,S} - 4 R!H 2 {1,S} - 5 H 0 {1,S} - - RsCHsR2x220 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 2 {1,S} - 3 R!H 2 {1,S} - 4 R!H 0 {1,S} - 5 H 0 {1,S} - - RsCHsR2x221 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 2 {1,S} - 3 R!H 2 {1,S} - 4 R!H 1 {1,S} - 5 H 0 {1,S} - - RsCHsR2x012 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 0 {1,S} - 3 R!H 1 {1,S} - 4 R!H 2 {1,S} - 5 H 0 {1,S} - - RdCsR2 // L2 Node: single-bonded to exactly two heavy atoms and double bonded to another ### added by gmagoon - Union {RdCsR2x000,RdCsR2x001,RdCsR2x011,RdCsR2x002,RdCsR2x012,RdCsR2x022,RdCsR2x100,RdCsR2x101,RdCsR2x111,RdCsR2x102,RdCsR2x112,RdCsR2x122,RdCsR2x200,RdCsR2x201,RdCsR2x211,RdCsR2x202,RdCsR2x212,RdCsR2x222} - - RdCsR2x000 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 0 {1,D} - 3 R!H 0 {1,S} - 4 R!H 0 {1,S} - - RdCsR2x001 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 0 {1,D} - 3 R!H 0 {1,S} - 4 R!H 1 {1,S} - - RdCsR2x011 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 0 {1,D} - 3 R!H 1 {1,S} - 4 R!H 1 {1,S} - - RdCsR2x002 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 0 {1,D} - 3 R!H 0 {1,S} - 4 R!H 2 {1,S} - - RdCsR2x012 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 0 {1,D} - 3 R!H 1 {1,S} - 4 R!H 2 {1,S} - - RdCsR2x022 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 0 {1,D} - 3 R!H 2 {1,S} - 4 R!H 2 {1,S} - - RdCsR2x100 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 1 {1,D} - 3 R!H 0 {1,S} - 4 R!H 0 {1,S} - - RdCsR2x101 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 1 {1,D} - 3 R!H 0 {1,S} - 4 R!H 1 {1,S} - - RdCsR2x111 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 1 {1,D} - 3 R!H 1 {1,S} - 4 R!H 1 {1,S} - - RdCsR2x102 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 1 {1,D} - 3 R!H 0 {1,S} - 4 R!H 2 {1,S} - - RdCsR2x112 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 1 {1,D} - 3 R!H 1 {1,S} - 4 R!H 2 {1,S} - - RdCsR2x122 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 1 {1,D} - 3 R!H 2 {1,S} - 4 R!H 2 {1,S} - - RdCsR2x200 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 2 {1,D} - 3 R!H 0 {1,S} - 4 R!H 0 {1,S} - - RdCsR2x201 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 2 {1,D} - 3 R!H 0 {1,S} - 4 R!H 1 {1,S} - - RdCsR2x211 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 2 {1,D} - 3 R!H 1 {1,S} - 4 R!H 1 {1,S} - - RdCsR2x202 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 2 {1,D} - 3 R!H 0 {1,S} - 4 R!H 2 {1,S} - - RdCsR2x212 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 2 {1,D} - 3 R!H 1 {1,S} - 4 R!H 2 {1,S} - - RdCsR2x222 - 1 * C 0 {2,D} {3,S},{4,S} - 2 R!H 2 {1,D} - 3 R!H 2 {1,S} - 4 R!H 2 {1,S} - - Ketone // L3 Node: single-bonded to two carbons and double bonded to oxygen ### added by gmagoon; *this should be tested with RdCsR2 to make sure that deepest matching node is used - Union {Ketonex00,Ketonex01,Ketonex11,Ketonex02,Ketonex12,Ketonex22} - - Ketonex00 - 1 * C 0 {2,D} {3,S},{4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} - 4 C 0 {1,S} - - Ketonex01 - 1 * C 0 {2,D} {3,S},{4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} - 4 C 1 {1,S} - - Ketonex11 - 1 * C 0 {2,D} {3,S},{4,S} - 2 O 0 {1,D} - 3 C 1 {1,S} - 4 C 1 {1,S} - - Ketonex02 - 1 * C 0 {2,D} {3,S},{4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} - 4 C 2 {1,S} - - Ketonex12 - 1 * C 0 {2,D} {3,S},{4,S} - 2 O 0 {1,D} - 3 C 1 {1,S} - 4 C 2 {1,S} - - Ketonex22 - 1 * C 0 {2,D} {3,S},{4,S} - 2 O 0 {1,D} - 3 C 2 {1,S} - 4 C 2 {1,S} - - RsCsR3 // L2 Node: single-bonded to four heavy atoms ### - Union{RsCsR3x0000,RsCsR3x1111,RsCsR3x2222,RsCsR3x0001,RsCsR3x0002,RsCsR3x1110,RsCsR3x1112,RsCsR3x2220,RsCsR3x2221,RsCsR3x0011,RsCsR3x0022,RsCsR3x1122,RsCsR3x0012,RsCsR3x0112,RsCsR3x0122} - - RsCsR3x0000 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 0 {1,S} - 3 R!H 0 {1,S} - 4 R!H 0 {1,S} - 5 R!H 0 {1,S} - - RsCsR3x1111 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 1 {1,S} - 3 R!H 1 {1,S} - 4 R!H 1 {1,S} - 5 R!H 1 {1,S} - - RsCsR3x2222 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 2 {1,S} - 3 R!H 2 {1,S} - 4 R!H 2 {1,S} - 5 R!H 2 {1,S} - - RsCsR3x0001 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 0 {1,S} - 3 R!H 0 {1,S} - 4 R!H 0 {1,S} - 5 R!H 1 {1,S} - - RsCsR3x0002 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 0 {1,S} - 3 R!H 0 {1,S} - 4 R!H 0 {1,S} - 5 R!H 2 {1,S} - - RsCsR3x1110 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 1 {1,S} - 3 R!H 1 {1,S} - 4 R!H 1 {1,S} - 5 R!H 0 {1,S} - - RsCsR3x1112 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 1 {1,S} - 3 R!H 1 {1,S} - 4 R!H 1 {1,S} - 5 R!H 2 {1,S} - - RsCsR3x2220 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 2 {1,S} - 3 R!H 2 {1,S} - 4 R!H 2 {1,S} - 5 R!H 0 {1,S} - - RsCsR3x2221 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 2 {1,S} - 3 R!H 2 {1,S} - 4 R!H 2 {1,S} - 5 R!H 1 {1,S} - - RsCsR3x0011 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 0 {1,S} - 3 R!H 0 {1,S} - 4 R!H 1 {1,S} - 5 R!H 1 {1,S} - - RsCsR3x0022 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 0 {1,S} - 3 R!H 0 {1,S} - 4 R!H 2 {1,S} - 5 R!H 2 {1,S} - - RsCsR3x1122 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 1 {1,S} - 3 R!H 1 {1,S} - 4 R!H 2 {1,S} - 5 R!H 2 {1,S} - - RsCsR3x0012 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 0 {1,S} - 3 R!H 0 {1,S} - 4 R!H 1 {1,S} - 5 R!H 2 {1,S} - - RsCsR3x0112 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 0 {1,S} - 3 R!H 1 {1,S} - 4 R!H 1 {1,S} - 5 R!H 2 {1,S} - - RsCsR3x0122 - 1 * C 0 {2,S} {3,S},{4,S},{5,S} - 2 R!H 0 {1,S} - 3 R!H 1 {1,S} - 4 R!H 2 {1,S} - 5 R!H 2 {1,S} - - C_R1 // L1 Node: carbon, one radical - 1 * C 1 - - RsCH2r // L2 Node: single-bonded to exactly one heavy atom ### - Union {RsCH2rx0,RsCH2rx1,RsCH2rx2} - - RsCH2rx0 - 1 * C 1 {2,S} {3,S},{4,S} - 2 R!H 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - - RsCH2rx1 - 1 * C 1 {2,S} {3,S},{4,S} - 2 R!H 1 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - - RsCH2rx2 - 1 * C 1 {2,S} {3,S},{4,S} - 2 R!H 2 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - - RdCHr //L2 Node: double-bonded to one heavy atom (vinylic) ### - Union {RdCHrx0,RdCHrx1,RdCHrx2} - - RdCHrx0 - 1 * C 1 {2,D} {3,S} - 2 R!H 0 {1,D} - 3 H 0 {1,S} - - RdCHrx1 - 1 * C 1 {2,D} {3,S} - 2 R!H 1 {1,D} - 3 H 0 {1,S} - - RdCHrx2 - 1 * C 1 {2,D} {3,S} - 2 R!H 2 {1,D} - 3 H 0 {1,S} - - CtCr //L2 Node: triple-bonded to one heavy atom (carbon) *** - Union {CtCrx0, CtCrx1} - - CtCrx0 - 1 * C 1 {2,T} - 2 C 0 {1,T} - - CtCrx1 - 1 * C 1 {2,T} - 2 C 1 {1,T} - - RsCHrsR // L2 Node: single-bonded to exactly two heavy atoms ### - Union {RsCHrsRx00,RsCHrsRx01,RsCHrsRx11,RsCHrsRx02,RsCHrsRx12,RsCHrsRx22} - - RsCHrsRx00 - 1 * C 1 {2,S} {3,S},{4,S} - 2 R!H 0 {1,S} - 3 R!H 0 {1,S} - 4 H 0 {1,S} - - RsCHrsRx01 - 1 * C 1 {2,S} {3,S},{4,S} - 2 R!H 0 {1,S} - 3 R!H 1 {1,S} - 4 H 0 {1,S} - - RsCHrsRx11 - 1 * C 1 {2,S} {3,S},{4,S} - 2 R!H 1 {1,S} - 3 R!H 1 {1,S} - 4 H 0 {1,S} - - RsCHrsRx02 - 1 * C 1 {2,S} {3,S},{4,S} - 2 R!H 0 {1,S} - 3 R!H 2 {1,S} - 4 H 0 {1,S} - - RsCHrsRx12 - 1 * C 1 {2,S} {3,S},{4,S} - 2 R!H 1 {1,S} - 3 R!H 2 {1,S} - 4 H 0 {1,S} - - RsCHrsRx22 - 1 * C 1 {2,S} {3,S},{4,S} - 2 R!H 2 {1,S} - 3 R!H 2 {1,S} - 4 H 0 {1,S} - - OdCrsR // L2 Node: double-bonded to oxygen, single bonded to something else ### - Union {OdCrsRx0,OdCrsRx1,OdCrsRx2} - - OdCrsRx0 - 1 * C 1 {2,D} {3,S} - 2 O 0 {1,D} - 3 R!H 0 {1,S} - - OdCrsRx1 - 1 * C 1 {2,D} {3,S} - 2 O 0 {1,D} - 3 R!H 1 {1,S} - - OdCrsRx2 - 1 * C 1 {2,D} {3,S} - 2 O 0 {1,D} - 3 R!H 2 {1,S} - - CdCrsR // L2 Node: double-bonded to carbon, single bonded to something else ### - Union {CdCrsRx00,CdCrsRx01,CdCrsRx10,CdCrsRx11,CdCrsRx02,CdCrsRx20,CdCrsRx12,CdCrsRx21,CdCrsRx22} - - CdCrsRx00 - 1 * C 1 {2,D} {3,S} - 2 C 0 {1,D} - 3 R!H 0 {1,S} - - CdCrsRx01 - 1 * C 1 {2,D} {3,S} - 2 C 0 {1,D} - 3 R!H 1 {1,S} - - CdCrsRx10 - 1 * C 1 {2,D} {3,S} - 2 C 1 {1,D} - 3 R!H 0 {1,S} - - CdCrsRx11 - 1 * C 1 {2,D} {3,S} - 2 C 1 {1,D} - 3 R!H 1 {1,S} - - CdCrsRx02 - 1 * C 1 {2,D} {3,S} - 2 C 0 {1,D} - 3 R!H 2 {1,S} - - CdCrsRx20 - 1 * C 1 {2,D} {3,S} - 2 C 2 {1,D} - 3 R!H 0 {1,S} - - CdCrsRx12 - 1 * C 1 {2,D} {3,S} - 2 C 1 {1,D} - 3 R!H 2 {1,S} - - CdCrsRx21 - 1 * C 1 {2,D} {3,S} - 2 C 2 {1,D} - 3 R!H 1 {1,S} - - CdCrsRx22 - 1 * C 1 {2,D} {3,S} - 2 C 2 {1,D} - 3 R!H 2 {1,S} - - RsCrsR2 // L2 Node: single-bonded to exactly three heavy atoms ### - Union{RsCrsR2x000,RsCrsR2x111,RsCrsR2x222,RsCrsR2x001,RsCrsR2x002,RsCrsR2x110,RsCrsR2x112,RsCrsR2x220,RsCrsR2x221,RsCrsR2x012} - - RsCrsR2x000 - 1 * C 1 {2,S} {3,S},{4,S} - 2 R!H 0 {1,S} - 3 R!H 0 {1,S} - 4 R!H 0 {1,S} - - RsCrsR2x111 - 1 * C 1 {2,S} {3,S},{4,S} - 2 R!H 1 {1,S} - 3 R!H 1 {1,S} - 4 R!H 1 {1,S} - - RsCrsR2x222 - 1 * C 1 {2,S} {3,S},{4,S} - 2 R!H 2 {1,S} - 3 R!H 2 {1,S} - 4 R!H 2 {1,S} - - RsCrsR2x001 - 1 * C 1 {2,S} {3,S},{4,S} - 2 R!H 0 {1,S} - 3 R!H 0 {1,S} - 4 R!H 1 {1,S} - - RsCrsR2x002 - 1 * C 1 {2,S} {3,S},{4,S} - 2 R!H 0 {1,S} - 3 R!H 0 {1,S} - 4 R!H 2 {1,S} - - RsCrsR2x110 - 1 * C 1 {2,S} {3,S},{4,S} - 2 R!H 1 {1,S} - 3 R!H 1 {1,S} - 4 R!H 0 {1,S} - - RsCrsR2x112 - 1 * C 1 {2,S} {3,S},{4,S} - 2 R!H 1 {1,S} - 3 R!H 1 {1,S} - 4 R!H 2 {1,S} - - RsCrsR2x220 - 1 * C 1 {2,S} {3,S},{4,S} - 2 R!H 2 {1,S} - 3 R!H 2 {1,S} - 4 R!H 0 {1,S} - - RsCrsR2x221 - 1 * C 1 {2,S} {3,S},{4,S} - 2 R!H 2 {1,S} - 3 R!H 2 {1,S} - 4 R!H 1 {1,S} - - RsCrsR2x012 - 1 * C 1 {2,S} {3,S},{4,S} - 2 R!H 0 {1,S} - 3 R!H 1 {1,S} - 4 R!H 2 {1,S} - - C_R2 // L1 Node: carbon, double radical - 1 * C 2 - - RsCHrr // L2 Node: single-bonded to exactly one heavy atom *** - Union {RsCHrrx0,RsCHrrx1,RsCHrrx2} - - RsCHrrx0 - 1 * C 2 {2,S} {3,S} - 2 R!H 0 {1,S} - 3 H 0 {1,S} - - RsCHrrx1 - 1 * C 2 {2,S} {3,S} - 2 R!H 1 {1,S} - 3 H 0 {1,S} - - RsCHrrx2 - 1 * C 2 {2,S} {3,S} - 2 R!H 2 {1,S} - 3 H 0 {1,S} - - RdCrr //L2 Node: double-bonded to one heavy atom (vinylic) *** - Union {RdCrrx0,RdCrrx1,RdCrrx2} - - RdCrrx0 - 1 * C 2 {2,D} - 2 R!H 0 {1,D} - - RdCrrx1 - 1 * C 2 {2,D} - 2 R!H 1 {1,D} - - RdCrrx2 - 1 * C 2 {2,D} - 2 R!H 2 {1,D} - - RsCrrsR // L2 Node: single-bonded to exactly two heavy atoms *** - Union {RsCrrsRx00,RsCrrsRx01,RsCrrsRx11,RsCrrsRx02,RsCrrsRx12,RsCrrsRx22} - - RsCrrsRx00 - 1 * C 2 {2,S} {3,S} - 2 R!H 0 {1,S} - 3 R!H 0 {1,S} - - RsCrrsRx01 - 1 * C 2 {2,S} {3,S} - 2 R!H 0 {1,S} - 3 R!H 1 {1,S} - - RsCrrsRx11 - 1 * C 2 {2,S} {3,S} - 2 R!H 1 {1,S} - 3 R!H 1 {1,S} - - RsCrrsRx02 - 1 * C 2 {2,S} {3,S} - 2 R!H 0 {1,S} - 3 R!H 2 {1,S} - - RsCrrsRx12 - 1 * C 2 {2,S} {3,S} - 2 R!H 1 {1,S} - 3 R!H 2 {1,S} - - RsCrrsRx22 - 1 * C 2 {2,S} {3,S} - 2 R!H 2 {1,S} - 3 R!H 2 {1,S} - - O_R0 // L1 Node:oxygen, no radicals - 1 * O 0 - - Alcohol // L2 Node: bound to hydrogen and one heavy atom (carbon) ### - Union {Alcoholx0,Alcoholx1,Alcoholx2} - - Alcoholx0 - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 H 0 {1,S} - - Alcoholx1 - 1 * O 0 {2,S} {3,S} - 2 C 1 {1,S} - 3 H 0 {1,S} - - Alcoholx2 - 1 * O 0 {2,S} {3,S} - 2 C 2 {1,S} - 3 H 0 {1,S} - - Ether // L2 Node: bound to two carbons ### - Union {Etherx00,Etherx01,Etherx11,Etherx02,Etherx12,Etherx22} - - Etherx00 - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - - Etherx01 - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 C 1 {1,S} - - Etherx11 - 1 * O 0 {2,S} {3,S} - 2 C 1 {1,S} - 3 C 1 {1,S} - - Etherx02 - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 C 2 {1,S} - - Etherx12 - 1 * O 0 {2,S} {3,S} - 2 C 1 {1,S} - 3 C 2 {1,S} - - Etherx22 - 1 * O 0 {2,S} {3,S} - 2 C 2 {1,S} - 3 C 2 {1,S} - - ROOH // L2 Node: bound to carbon and OH ### gmagoon: changed name from "Peroxide" to "ROOH" to distinguish from ROOR - Union {ROOHx0,ROOHx1,ROOHx2} - - ROOHx0 - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 O 0 {1,S} {4,S} - 4 H 0 {3,S} - - ROOHx1 - 1 * O 0 {2,S} {3,S} - 2 C 1 {1,S} - 3 O 0 {1,S} {4,S} - 4 H 0 {3,S} - - ROOHx2 - 1 * O 0 {2,S} {3,S} - 2 C 2 {1,S} - 3 O 0 {1,S} {4,S} - 4 H 0 {3,S} - - ROOR // L2 Node: bound to carbon and OC ### gmagoon: this will be double counted, so Franklin's code must divide by two - Union {ROORx00,ROORx01,ROORx11,ROORx02,ROORx12,ROORx22} - - ROORx00 - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 O 0 {1,S} {4,S} - 4 C 0 {3,S} - - ROORx01 - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 O 0 {1,S} {4,S} - 4 C 1 {3,S} - - ROORx11 - 1 * O 0 {2,S} {3,S} - 2 C 1 {1,S} - 3 O 0 {1,S} {4,S} - 4 C 1 {3,S} - - ROORx02 - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 O 0 {1,S} {4,S} - 4 C 2 {3,S} - - ROORx12 - 1 * O 0 {2,S} {3,S} - 2 C 1 {1,S} - 3 O 0 {1,S} {4,S} - 4 C 2 {3,S} - - ROORx22 - 1 * O 0 {2,S} {3,S} - 2 C 2 {1,S} - 3 O 0 {1,S} {4,S} - 4 C 2 {3,S} - - Peroxy // L2 Node: bound to carbon and O radical ### - Union {Peroxyx0,Peroxyx1,Peroxyx2} - - Peroxyx0 - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 O 1 {1,S} - - Peroxyx1 - 1 * O 0 {2,S} {3,S} - 2 C 1 {1,S} - 3 O 1 {1,S} - - Peroxyx2 - 1 * O 0 {2,S} {3,S} - 2 C 2 {1,S} - 3 O 1 {1,S} - - O_R1 // L1 Node: oxygen, one radical - 1 * O 1 - - - Oxy // L2 Node: bound to carbon *** - Union {Oxyx0,Oxyx1,Oxyx2} - - Oxyx0 - 1 * O 1 {2,S} - 2 C 0 {1,S} - - Oxyx1 - 1 * O 1 {2,S} - 2 C 1 {1,S} - - Oxyx2 - 1 * O 1 {2,S} - 2 C 2 {1,S} - -//111708 gmagoon: ketone needs to be added: carbon tree or oxygen tree?; I have tentatively put it as subset of RdCsR2 \ No newline at end of file diff --git a/output/RMG_database/frequencies_groups/Library.txt b/output/RMG_database/frequencies_groups/Library.txt deleted file mode 100644 index 1982297c22..0000000000 --- a/output/RMG_database/frequencies_groups/Library.txt +++ /dev/null @@ -1,2 +0,0 @@ -// There is no Library for frequency estimation, because that's handled by FRANKIE -// RMG only needs to identify the groups, so it only needs Dictionary.txt and Tree.txt \ No newline at end of file diff --git a/output/RMG_database/frequencies_groups/Tree.txt b/output/RMG_database/frequencies_groups/Tree.txt deleted file mode 100644 index 93a4e32ed5..0000000000 --- a/output/RMG_database/frequencies_groups/Tree.txt +++ /dev/null @@ -1,41 +0,0 @@ -//Frequency tree: devised by Franklin Goldsmith -//implemented by Greg Magoon: 11/13/08 (based off Group_Tree.txt for Thermo) -//"counting nodes" (those that are counted by Franklin's code) denoted by ### - - -L0: R!H - L1: C_R0 - L2: RsCH3 - L2: RdCH2 - L2: CtCH - L2: RsCH2sR - L2: Aldehyde - L2: Ketene - - L2: Cumulene - L2: CdCHsR - L2: CtCsR - L2: RsCHsR2 - L2: RdCsR2 - L3: Ketone - L2: RsCsR3 - L1: C_R1 - L2: RsCH2r - L2: RdCHr - L2: CtCr - L2: RsCHrsR - L2: OdCrsR - L2: CdCrsR - L2: RsCrsR2 - L1: C_R2 - L2: RsCHrr - L2: RdCrr - L2: RsCrrsR - L1: O_R0 - L2: Alcohol - L2: Ether - L2: ROOH - L2: ROOR - L2: Peroxy - L1: O_R1 - L2: Oxy diff --git a/output/RMG_database/kinetics_groups/1+2_Cycloaddition/comments.rst b/output/RMG_database/kinetics_groups/1+2_Cycloaddition/comments.rst deleted file mode 100644 index cba494b472..0000000000 --- a/output/RMG_database/kinetics_groups/1+2_Cycloaddition/comments.rst +++ /dev/null @@ -1,57 +0,0 @@ - ---- -579 ---- -[194] Gaedtke, H. Symp. Int. Combust. Proc. 1973, 14, 295. -Excitation: direct photolysis, analysis: UV-Vis absorption, Pressure 0.1 - 1000 atm. O + C2H4 --> Oxirane - - ---- -580 ---- -[194] Gaedtke, H. Symp. Int. Combust. Proc. 1973, 14, 295. -Excitation: direct photolysis, analysis: UV-Vis absorption, Pressure 0.1 - 1000 atm. O + CH3CH=CH2 --> methyloxirane - - ---- -581 ---- -[195] Herbrechtsmeier, P. Reactions of O(3P) Atoms with Unsaturated C3 Hydrocarbons. In Combust. Inst. European Symp., 1973; pp13. -Absolute values measured directly. Excitation: discharge, analysis :GC, Pressure 0.01 atm. O + CH3CH=CH2 --> methyloxirane - - ---- -582 ---- -[196] Smith, I.W.M. Trans. Faraday Soc. 1968, 64, 378. -Data derived from fitting to a complex mechanism. Excitation: flash photolysis, analysis : UV-Vis absorption. Pressure 0.13 atm - -O + 1-C4H8 --> ethyloxirane. Original uncertainty 3.0E+11 - - ---- -583 ---- -[196] Smith, I.W.M. Trans. Faraday Soc. 1968, 64, 378. -Data derived from fitting to a complex mechanism. Excitation: flash photolysis, analysis : UV-Vis absorption. Pressure 0.13 atm - -O + iso-C4H8 --> 2,2- dimethyloxirane. Original uncertainty 1.2E+12 - - ---- -584 ---- -[197] Cvetanovic, R. J. Chem. Phys. 1959, 30, 19. -Relative value measured (O + (Z)-2-C4H8 --> cis-2,3-dimethyloxirane/O + C2H4 = Oxirane --> 2.2E+01) - -Pressure 0.39 atm. Excitation : sensitized photolysis, analysis :GC. - - ---- -585 ---- -[197] Cvetanovic, R. J. Chem. Phys. 1959, 30, 19. -Relative value measured (O + (CH3)2C=C(CH3)2 --> tetramethyl-oxirane/O + iso-C4H8 --> 2,2-Dimethyloxirane = 4.18) - -Pressure 0.39 atm. Excitation : sensitized photolysis, analysis :GC. - diff --git a/output/RMG_database/kinetics_groups/1+2_Cycloaddition/dictionary.txt b/output/RMG_database/kinetics_groups/1+2_Cycloaddition/dictionary.txt deleted file mode 100755 index 10c3b901ae..0000000000 --- a/output/RMG_database/kinetics_groups/1+2_Cycloaddition/dictionary.txt +++ /dev/null @@ -1,355 +0,0 @@ -//f15_1,2-cycloaddition -// SR checked, 1/31/2003 - -// JS, correct typo from: -// -// mb_o2_doublebond -// 1 *1 O 0 {2,D} -// 2 *2 O 0 {2,D} -// -// to -// -// mb_o2_doublebond -// 1 *1 O 0 {2,D} -// 2 *2 O 0 {1,D} -// -// 2/3/2003 - -// Changed carbene definitions to be singlet, as far as I know triplet carbene cannot react this way without intersystem conversion. -// At least all the rates from Polino are for singlet carbene only. -nyee - -elec_def -Union {carbene, me_carbene, dime_carbene, ph_carbene, o_atom} - -carbene -1 *3 C 2S {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -me_carbene -1 *3 C 2S {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -dime_carbene -1 *3 C 2S {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -ph_carbene -1 *3 C 2S {2,S} {3,S} -2 Cb 0 {1,S} {4,B} {5,B} -3 H 0 {1,S} -4 Cb 0 {2,B} {6,B} -5 Cb 0 {2,B} {7,B} -6 Cb 0 {4,B} {8,B} -7 Cb 0 {5,B} {8,B} -8 Cb 0 {6,B} {7,B} - -o_atom -1 *3 O 2 - -multiplebond -//Union {mb_carbonyl, mb_db, mb_tb, mb_benzb} -Union {mb_carbonyl, mb_db, mb_tb} - -mb_carbonyl -1 *1 {CO,Cdd} 0 {2,D} -2 *2 O 0 {1,D} - -mb_carbonyl_2H -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 O 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - -mb_carbonyl_HNd -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 O 0 {1,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} - -mb_carbonyl_HDe -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 O 0 {1,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_carbonyl_NdNd -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 O 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -mb_carbonyl_NdDe -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 O 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_carbonyl_DeDe -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_db -1 *1 {Cd,Cdd} 0 {2,D} -2 *2 {Cd,Cdd} 0 {1,D} - -mb_db_unsub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -mb_db_monosub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_monosub_Nd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_monosub_De -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_onecdisub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_onecdisub_Nd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_onecdisub_oneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_onecdisub_twoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_twocdisub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_twocdisub_Nd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_twocdisub_oneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_twocdisub_twoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_trisub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_trisub_Nd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_trisub_oneMDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_trisub_oneDDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_trisub_onectwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_trisub_twoctwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_trisub_threeDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_tetrasub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_tetrasub_Nd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_tetrasub_oneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_tetrasub_onectwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_tetrasub_twoctwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_tetrasub_threeDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_tetrasub_fourDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_dbSub -1 *1 Cdd 0 {2,D} {3,D} -2 *2 Cd 0 {1,D} -3 {Cd,Cdd} 0 {1,D} - -mb_tb -1 *1 Ct 0 {2,T} -2 *2 Ct 0 {1,T} - -mb_tb_unsub -1 *1 Ct 0 {2,T} {3,S} -2 *2 Ct 0 {1,T} {4,S} -3 H 0 {1,S} -4 H 0 {2,S} - -mb_tb_monosub -1 *1 Ct 0 {2,T} {3,S} -2 *2 Ct 0 {1,T} {4,S} -3 R!H 0 {1,S} -4 H 0 {2,S} - -mb_tb_monosub_Nd -1 *1 Ct 0 {2,T} {3,S} -2 *2 Ct 0 {1,T} {4,S} -3 {Cs,Os} 0 {1,S} -4 H 0 {2,S} - -mb_tb_disub -1 *1 Ct 0 {2,T} {3,S} -2 *2 Ct 0 {1,T} {4,S} -3 R!H 0 {1,S} -4 R!H 0 {2,S} - -mb_tb_disub_twoNd -1 *1 Ct 0 {2,T} {3,S} -2 *2 Ct 0 {1,T} {4,S} -3 {Cs,Os} 0 {1,S} -4 {Cs,Os} 0 {2,S} - diff --git a/output/RMG_database/kinetics_groups/1+2_Cycloaddition/rateLibrary.txt b/output/RMG_database/kinetics_groups/1+2_Cycloaddition/rateLibrary.txt deleted file mode 100755 index 5460fe5bfb..0000000000 --- a/output/RMG_database/kinetics_groups/1+2_Cycloaddition/rateLibrary.txt +++ /dev/null @@ -1,39 +0,0 @@ -// rate library for f15: 1+2 cycloaddition - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// f15_1+2_cycloaddition - -// Catherina Wijaya Thesis, pg 131 -// [106] Cobos, C. Chem. - Phys. 1985, 83, 1010 pages 3-4 -// [192] Frey, H. M. - J. Am. Chem. Soc. 1957, 79, 6373. -// [194] Gaedtke, H. Symp. Int. Combust. Proc. 1973, 14, 295. -// [195] Herbrechtsmeier, P. Reactions of O(3P) Atoms with Unsaturated C3 Hydrocarbons. In Combust. Inst. European Symp., 1973; pp13. -// [196] Smith, I.W.M. Trans. Faraday Soc. 1968, 64, 378. -// [197] Cvetanovic, R. J. Chem. Phys. 1959, 30, 19. -// reminder to self to estimate errors add more to citation when that info becomes available -nyee -// Polino D., J. Phys. Chem. A, 2013 - - -// rate constants from rate_library_4.txt, Cath, 03/07/28 - -//No. elec_def multiplebond Temp. A n a E0 DA Dn Da DE0 Rank Comments -576. elec_def multiplebond 300-1500 1E+12 0 0 0 0 0 0 0 0 Default -577. carbene mb_db_unsub 296-728 1.98E+12 0 0 5.29 *3.2 0 0 0.26 3 Frey et al [192] -//578. o_atom mb_o2_doublebond 300-2100 3.49E+12 0 0 0.46 0 0 0 0 3 Cobos et al [106] Transition state theory. (pages 3-4) -579. o_atom mb_db_unsub 300 7.0E+11 0 0 0 0 0 0 0 4 Gaedtke et al [194] -580. o_atom mb_db_monosub_Nd 300 2.9E+12 0 0 0 0 0 0 0 4 Gaedtke et al [194] -581. o_atom mb_db_monosub_Nd 275-360 4.2E+12 0 0 0.50 0 0 0 0 4 Herbrechtsmeier et al [195] -582. o_atom mb_db_monosub_Nd 298-410 1.9E+12 0 0 0.80 *1.2 0 0 0.40 4 Smith [196] -583. o_atom mb_db_onecdisub_Nd 298-410 7.6E+12 0 0 0.10 *1.2 0 0 0.40 4 Smith [196] -584. o_atom mb_db_twocdisub_Nd 298 1.54E+13 0 0 0 0 0 0 0 4 Cvetanovic [197] -585. o_atom mb_db_tetrasub_Nd 298 3.18E+13 0 0 0 *1.2 0 0 0 4 Cvetanovic [197] -586. carbene mb_tb_unsub 200-2000 1.77E+15 -0.662 0 3.77E-2 0 0 0 0 2 Polino [carbene,acetylene] -587. carbene mb_db_unsub 200-2000 1.24E+15 -0.684 0 -8.05E-2 0 0 0 0 2 Polino [carbene,ethene] -588. carbene mb_tb_monosub_Nd 200-2000 4.50E+15 -0.708 0 -2.67E-2 0 0 0 0 2 Polino [carbene,propyne] -589. carbene mb_db_monosub_Nd 200-2000 5.00E+15 -0.826 0 -0.09 0 0 0 0 2 Polino [carbene,propene] -590. carbene mb_db_dbSub 200-2000 6.38E+14 -0.562 0 -0.133 0 0 0 0 2 Polino [carbene,propadiene] -591. carbene mb_tb_disub_twoNd 200-2000 4.70E+15 -0.823 0 2.3E-2 0 0 0 0 2 Polino [carbene,2-butyne] -592. carbene mb_db_monosub_De 200-2000 1.85E+15 -0.700 0 -6.72E-2 0 0 0 0 2 Polino [carbene,1,3-butadiene] - \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/1+2_Cycloaddition/reactionAdjList.txt b/output/RMG_database/kinetics_groups/1+2_Cycloaddition/reactionAdjList.txt deleted file mode 100755 index ba910c56f8..0000000000 --- a/output/RMG_database/kinetics_groups/1+2_Cycloaddition/reactionAdjList.txt +++ /dev/null @@ -1,23 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 31, 2003 // -// // -////////////////////////////////////////////////////// - - -// f15 1,2-cycloaddition - -multiplebond + elec_def -> cycle - -forward -reverse(f16): Three_Ring_Cleavage - -Actions 1 -(1) CHANGE_BOND {*1,-1,*2} -(2) FORM_BOND {*1,S,*3} -(3) FORM_BOND {*2,S,*3} -(4) LOSE_RADICAL {*3,2} - - diff --git a/output/RMG_database/kinetics_groups/1+2_Cycloaddition/tree.txt b/output/RMG_database/kinetics_groups/1+2_Cycloaddition/tree.txt deleted file mode 100755 index 60f457ee7b..0000000000 --- a/output/RMG_database/kinetics_groups/1+2_Cycloaddition/tree.txt +++ /dev/null @@ -1,55 +0,0 @@ -// f15_1,2-cycloaddition to form tricyclic compd -// Jing try to remember the problem that I talked about for the double -// bond. *1 and *2 should always be interchanged to see the equivalence. -// SR checked on 1/31/2003 - -L1: elec_def - L2: carbene - L2: me_carbene - L2: dime_carbene - L2: ph_carbene - L2: o_atom -L1: multiplebond - L2: mb_carbonyl - L3: mb_carbonyl_2H - L3: mb_carbonyl_HNd - L3: mb_carbonyl_HDe - L3: mb_carbonyl_NdNd - L3: mb_carbonyl_NdDe - L3: mb_carbonyl_DeDe - L2: mb_db - L3: mb_db_unsub - L3: mb_db_monosub - L4: mb_db_monosub_Nd - L4: mb_db_monosub_De - L3: mb_db_onecdisub - L4: mb_db_onecdisub_Nd - L4: mb_db_onecdisub_oneDe - L4: mb_db_onecdisub_twoDe - L3: mb_db_twocdisub - L4: mb_db_twocdisub_Nd - L4: mb_db_twocdisub_oneDe - L4: mb_db_twocdisub_twoDe - L3: mb_db_trisub - L4: mb_db_trisub_Nd - L4: mb_db_trisub_oneMDe - L4: mb_db_trisub_oneDDe - L4: mb_db_trisub_onectwoDe - L4: mb_db_trisub_twoctwoDe - L4: mb_db_trisub_threeDe - L3: mb_db_tetrasub - L4: mb_db_tetrasub_Nd - L4: mb_db_tetrasub_oneDe - L4: mb_db_tetrasub_onectwoDe - L4: mb_db_tetrasub_twoctwoDe - L4: mb_db_tetrasub_threeDe - L4: mb_db_tetrasub_fourDe - L3: mb_db_dbSub - L2: mb_tb - L3: mb_tb_unsub - L3: mb_tb_monosub - L4: mb_tb_monosub_Nd - L3: mb_tb_disub - L4: mb_tb_disub_twoNd - - \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/1,2-Birad_to_alkene/dictionary.txt b/output/RMG_database/kinetics_groups/1,2-Birad_to_alkene/dictionary.txt deleted file mode 100644 index 4e297fbc8b..0000000000 --- a/output/RMG_database/kinetics_groups/1,2-Birad_to_alkene/dictionary.txt +++ /dev/null @@ -1,197 +0,0 @@ -//f24 : 1,2-biradical to alkene - -//below is the group I want to treat in principle; note that I have restricted to Cs, as I don't know how well this extrapolates to Cd radicals, O radicals, etc.; in practice, I am instead using the Union syntax to define this group in order to avoid "Rate constant not found"-type errors is the -//Y_12birad -//1 *1 Cs 1 {2,S} -//2 *2 Cs 1 {1,S} - -Y_12birad -Union {Y_12_00,Y_12_10,Y_12_20,Y_12_30,Y_12_40,Y_12_01,Y_12_02,Y_12_03,Y_12_04,Y_12_11,Y_12_12,Y_12_21,Y_12_22,Y_12_13,Y_12_31} - -Y_12_00 -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Y_12_10 -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 {Cs,Os} 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Y_12_20 -Union {Y_12_20a, Y_12_20b} - -Y_12_20a -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 {Cs,Os} 0 {1,S} -4 {Cs,Os} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Y_12_20b -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 {Cs,Os} 0 {1,S} -4 H 0 {1,S} -5 {Cs,Os} 0 {2,S} -6 H 0 {2,S} - -Y_12_30 -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 {Cs,Os} 0 {1,S} -4 {Cs,Os} 0 {1,S} -5 {Cs,Os} 0 {2,S} -6 H 0 {2,S} - -Y_12_40 -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 {Cs,Os} 0 {1,S} -4 {Cs,Os} 0 {1,S} -5 {Cs,Os} 0 {2,S} -6 {Cs,Os} 0 {2,S} - -Y_12_01 -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Y_12_02 -Union {Y_12_02a, Y_12_02b} - -Y_12_02a -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Y_12_02b -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 H 0 {2,S} - -Y_12_03 -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 H 0 {2,S} - -Y_12_04 -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Y_12_11 -Union {Y_12_11a, Y_12_11b} - -Y_12_11a -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,Os} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Y_12_11b -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} -5 {Cs,Os} 0 {2,S} -6 H 0 {2,S} - -Y_12_12 -Union {Y_12_12a, Y_12_12b} - -Y_12_12a -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,Os} 0 {2,S} -6 H 0 {2,S} - -Y_12_12b -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,Os} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 H 0 {2,S} - -Y_12_21 -Union {Y_12_21a, Y_12_21b} - -Y_12_21a -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 {Cs,Os} 0 {1,S} -4 {Cs,Os} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 H 0 {2,S} - -Y_12_21b -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 {Cs,Os} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,Os} 0 {2,S} -6 H 0 {2,S} - -Y_12_22 -Union {Y_12_22a, Y_12_22b} - -Y_12_22a -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,Os} 0 {2,S} -6 {Cs,Os} 0 {2,S} - -Y_12_22b -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,Os} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cs,Os} 0 {2,S} - -Y_12_13 -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cs,Os} 0 {2,S} - -Y_12_31 -1 *1 Cs 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 1 {1,S}, {5,S}, {6,S} -3 {Cs,Os} 0 {1,S} -4 {Cs,Os} 0 {1,S} -5 {Cs,Os} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - - diff --git a/output/RMG_database/kinetics_groups/1,2-Birad_to_alkene/rateLibrary.txt b/output/RMG_database/kinetics_groups/1,2-Birad_to_alkene/rateLibrary.txt deleted file mode 100644 index abb4b421a8..0000000000 --- a/output/RMG_database/kinetics_groups/1,2-Birad_to_alkene/rateLibrary.txt +++ /dev/null @@ -1,35 +0,0 @@ -//f24 : 1,2-biradical to alkene - -Arrhenius_EP -//reaction family added by gmagoon 3/1/10 -//correlation used for #1-16: log10(tau(s)) = -8.0+0.2*m+0.3*n; m = number of alkyl substituents, n = number of aryl/vinyl substituents -//references for this correlation and for treatment of alkene triplets as 1,2-biradicals: -//1. R. A. Caldwell, Intersystem crossing in organic photochemical intermediates, Pure Appl. Chem., 56 (1984) 1167-1177. -//2. R. A. Caldwell, Laser flash photolysis studies of intersystem crossing in biradicals and alkene triplets, p. 110, in Kinetics and spectroscopy of carbenes and biradicals, ed. M. S. Platz, 1990. -//3. D. J. Unett and R. A. Caldwell, The triplet state of alkenes: structure, dynamics, energetics and chemistry, Res. Chem. Intermed., 21 (1995) 665-709 -//4. T. Ni, R. A. Caldwell, and L. A. Melton, The relaxed and spectroscopic energies of olefin triplets, J. Am. Chem. Soc., 111 (1989) 457-464. -//to extrapolate to other groups, I am basing my (rough) assignments on the author's argument in Ref. 1, that effect is mainly related to number of hydrogens and mass of substituents, rather than electronic stabilization/polar effects; note however, that this will not correctly account for large mass of extended groups like large alkyl chains (in any case, the effect is relatively small, and the resulting estimate should still be within an order or magnitude or so of what we would obtain if we assigned groups differently) -//the assignments I use are: no slow-down: H -// m slow-down: Cs, Os -// n slow-down: Cd, Ct, Cb, CO -//it is assumed that k = 1/tau(s) -//nomenclature used is Y_12_mn where m and n are defined as above - -//No. Y_12birad Temp. A n a E0 DA Dn Da DE0 Rank Comments -1. Y_12birad 300-1500 1.0E+8 0 0 0.0 0 0 0 0 0 Default -2. Y_12_00 300-1500 1.0E+8 0 0 0.0 0 0 0 0 5 see references header of 1,2-Birad_to_alkene/rateLibrary.txt -3. Y_12_10 300-1500 6.31E+7 0 0 0.0 0 0 0 0 5 see references header of 1,2-Birad_to_alkene/rateLibrary.txt -4. Y_12_20 300-1500 3.98E+7 0 0 0.0 0 0 0 0 5 see references header of 1,2-Birad_to_alkene/rateLibrary.txt -5. Y_12_30 300-1500 2.51E+7 0 0 0.0 0 0 0 0 5 see references header of 1,2-Birad_to_alkene/rateLibrary.txt -6. Y_12_40 300-1500 1.58E+7 0 0 0.0 0 0 0 0 5 see references header of 1,2-Birad_to_alkene/rateLibrary.txt -7. Y_12_01 300-1500 5.01E+7 0 0 0.0 0 0 0 0 5 see references header of 1,2-Birad_to_alkene/rateLibrary.txt -8. Y_12_02 300-1500 2.51E+7 0 0 0.0 0 0 0 0 5 see references header of 1,2-Birad_to_alkene/rateLibrary.txt -9. Y_12_03 300-1500 1.26E+7 0 0 0.0 0 0 0 0 5 see references header of 1,2-Birad_to_alkene/rateLibrary.txt -10. Y_12_04 300-1500 6.31E+6 0 0 0.0 0 0 0 0 5 see references header of 1,2-Birad_to_alkene/rateLibrary.txt -11. Y_12_11 300-1500 3.16E+7 0 0 0.0 0 0 0 0 5 see references header of 1,2-Birad_to_alkene/rateLibrary.txt -12. Y_12_12 300-1500 1.58E+7 0 0 0.0 0 0 0 0 5 see references header of 1,2-Birad_to_alkene/rateLibrary.txt -13. Y_12_21 300-1500 2.00E+7 0 0 0.0 0 0 0 0 5 see references header of 1,2-Birad_to_alkene/rateLibrary.txt -14. Y_12_22 300-1500 1.0E+7 0 0 0.0 0 0 0 0 5 see references header of 1,2-Birad_to_alkene/rateLibrary.txt -15. Y_12_13 300-1500 7.94E+6 0 0 0.0 0 0 0 0 5 see references header of 1,2-Birad_to_alkene/rateLibrary.txt -16. Y_12_31 300-1500 1.26E+7 0 0 0.0 0 0 0 0 5 see references header of 1,2-Birad_to_alkene/rateLibrary.txt - diff --git a/output/RMG_database/kinetics_groups/1,2-Birad_to_alkene/reactionAdjList.txt b/output/RMG_database/kinetics_groups/1,2-Birad_to_alkene/reactionAdjList.txt deleted file mode 100644 index 15674ee97b..0000000000 --- a/output/RMG_database/kinetics_groups/1,2-Birad_to_alkene/reactionAdjList.txt +++ /dev/null @@ -1,19 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 29, 2003 // -// // -////////////////////////////////////////////////////// - -//f24 : 1,2-biradical to alkene - -Y_12birad -> Y_alkene - -forward -reverse(f10): Alkene_to_1,2-birad - -Actions 1 -(1) CHANGE_BOND {*1,1,*2} -(2) LOSE_RADICAL {*1,1} -(3) LOSE_RADICAL {*2,1} diff --git a/output/RMG_database/kinetics_groups/1,2-Birad_to_alkene/tree.txt b/output/RMG_database/kinetics_groups/1,2-Birad_to_alkene/tree.txt deleted file mode 100644 index fbc369797b..0000000000 --- a/output/RMG_database/kinetics_groups/1,2-Birad_to_alkene/tree.txt +++ /dev/null @@ -1,18 +0,0 @@ -//f24 : 1,2-biradical to alkene - -L1: Y_12birad - L2: Y_12_00 - L2: Y_12_10 - L2: Y_12_20 - L2: Y_12_30 - L2: Y_12_40 - L2: Y_12_01 - L2: Y_12_02 - L2: Y_12_03 - L2: Y_12_04 - L2: Y_12_11 - L2: Y_12_12 - L2: Y_12_21 - L2: Y_12_22 - L2: Y_12_13 - L2: Y_12_31 diff --git a/output/RMG_database/kinetics_groups/1,2_Insertion/comments.rst b/output/RMG_database/kinetics_groups/1,2_Insertion/comments.rst deleted file mode 100755 index a8f6585278..0000000000 --- a/output/RMG_database/kinetics_groups/1,2_Insertion/comments.rst +++ /dev/null @@ -1,11 +0,0 @@ -553 - 559 Some of the tortional motions in the alkyl part of the - -transition states are treated as free rotations as they are relatively loose TSs. - - ----- -5600 ----- -CBS-QB3 calculations by CFG, Jan 2010 -Methyl group was hindered rotor. ester CO bond also a rotor. - diff --git a/output/RMG_database/kinetics_groups/1,2_Insertion/dictionary.txt b/output/RMG_database/kinetics_groups/1,2_Insertion/dictionary.txt deleted file mode 100755 index 45fac03531..0000000000 --- a/output/RMG_database/kinetics_groups/1,2_Insertion/dictionary.txt +++ /dev/null @@ -1,379 +0,0 @@ -//f11 : carbon monoxide insertion reaction (1,2-insertion) C.D.W. 01/29/03 - -Y_birad -Union{carbene,CO_birad} - -carbene -1 *1 C 2S {2,S}, {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -CO_birad -1 *1 C 2 {2,D} -2 O 0 {1,D} - -RR' -Union {R_H,R_R'} - -R_H -1 *2 {H,Cs,Cd,Cb,Ct,O,Sis,Sid} 0 {2,S} -2 *3 H 0 {1,S} - -H2 -1 *2 H 0 {2,S} -2 *3 H 0 {1,S} - -Cs_H -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} -5 R 0 {1,S} - -C_methane -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -C_pri -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {R!H} 0 {1,S} - -C_pri/NonDeC -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {1,S} - -C_pri/NonDeO -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 O 0 {1,S} - -C_pri/De -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {1,S} - -C_pri/Ct -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {1,S} - -C_pri/Cd -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {1,S} - -C_sec -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {1,S} - -C/H2/NonDeC -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -C/H2/NonDeO -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H2/CsO -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} -5 Cs 0 {1,S} - -C/H2/O2 -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} -5 O 0 {1,S} - -C/H2/OneDe -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H2/OneDeC -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 Cs 0 {1,S} - -C/H2/OneDeO -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 O 0 {1,S} - -C/H2/TwoDe -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 {Cd,Ct,CO,Cb} 0 {1,S} - -C_ter -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {1,S} - -C/H/NonDeC -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/Cs3 -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -C/H/NDMustO -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/OneDe -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/Cs2 -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -C/H/ODMustO -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/TwoDe -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/Cs -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Cs 0 {1,S} - -C/H/TDMustO -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 O 0 {1,S} - -C/H/ThreeDe -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_H -1 *2 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *3 H 0 {1,S} -4 R 0 {1,S} - -Cd_pri -1 *2 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *3 H 0 {1,S} -4 H 0 {1,S} - -ethene -1 *2 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 *3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd_sec -1 *2 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *3 H 0 {1,S} -4 {R!H} 0 {1,S} - -Cd/H/NonDeC -1 *2 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *3 H 0 {1,S} -4 Cs 0 {1,S} - -Cd/H/NonDeO -1 *2 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *3 H 0 {1,S} -4 O 0 {1,S} - -Cd/H/OneDe -1 *2 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cb_H -1 *2 Cb 0 {2,B}, {3,B}, {4,S} -2 {Cb,Cbf} 0 {1,B} -3 {Cb,Cbf} 0 {1,B} -4 *3 H 0 {1,S} - -Ct_H -1 *2 Ct 0 {2,S} -2 *3 H 0 {1,S} - -acetylene -1 *2 Ct 0 {2,S} {3,T} -2 *3 H 0 {1,S} -3 Ct 0 {1,T} {4,S} -4 H 0 {3,S} - -R_R' -1 *2 {Cs,Sis} 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 {Cs,Cd,Cb,Ct,Sis,Sid} 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -Cs_Cs -1 *2 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -C_methyl_C_methyl -1 *2 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 Cs 0 {1,S}, {6,S}, {7,S}, {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 H 0 {2,S} - -C_methyl_C_pri -1 *2 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 Cs 0 {1,S}, {6,S}, {7,S}, {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 C 0 {2,S} - -C_methyl_C_sec -1 *2 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 Cs 0 {1,S}, {6,S}, {7,S}, {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 C 0 {2,S} -8 C 0 {2,S} - -C_methyl_C_ter -1 *2 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 Cs 0 {1,S}, {6,S}, {7,S}, {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {2,S} -7 C 0 {2,S} -8 C 0 {2,S} - -Cs_Cd -1 *2 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -C_methyl_Cd_pri -1 *2 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 Cd 0 {1,S}, {6,S}, {7,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 C 0 {2,D} - -C_methyl_Cd_sec -1 *2 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 Cd 0 {1,S}, {6,S}, {7,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {2,S} -7 C 0 {2,D} - -Cs_Cb -1 *2 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 Cb 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -RO_H -1 *2 O 0 {2,S}, {3,S} -2 *3 H 0 {1,S} -3 R 0 {1,S} - -CsO_H -1 *2 O 0 {2,S}, {3,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S} - - - diff --git a/output/RMG_database/kinetics_groups/1,2_Insertion/rateLibrary.txt b/output/RMG_database/kinetics_groups/1,2_Insertion/rateLibrary.txt deleted file mode 100755 index 1722c9f799..0000000000 --- a/output/RMG_database/kinetics_groups/1,2_Insertion/rateLibrary.txt +++ /dev/null @@ -1,28 +0,0 @@ -// rate library for f11: 1,2 insertion -// JS, define key word for format of the rate: either Arrhenius or Arrhenius_EP - -Arrhenius_EP - -// f11_1,2_insertion -// Catherina Wijaya Thesis pg 130 -// [87] Sumathi et al (2003) - CBS-QB3 calculations. -// rate constants from rate_library_4.txt, Cath, 03/07/28 -// Polino, D. JPCA 2013 -Note to self, add error and better citation when info available -nyee - -//No. CO_birad RR' Temp. A N a E0 DA Dn Da DE0 Rank Comments -553. CO_birad RR' 300-1500 1E+05 2 0 80 0 0 0 0 0 Default -554. CO_birad C_methyl_C_methyl 300-1500 5.38E+02 3.29 0 104.5 0 0 0 0 2 [87]CBS-QB3 calculations from Sumathi 2003. -555. CO_birad H2 300-1500 2.89E+09 1.16 0 82.1 0 0 0 0 2 [87]CBS-QB3 calculations from Sumathi 2003. -556. CO_birad C_methane 300-1500 1.64E+04 2.86 0 86.9 0 0 0 0 2 [87]CBS-QB3 calculations from Sumathi 2003. -557. CO_birad C_pri/NonDeC 300-1500 9.14E+04 2.53 0 85.5 0 0 0 0 2 [87]CBS-QB3 calculations from Sumathi 2003. -558. CO_birad C/H2/NonDeC 300-1500 7.66E+05 2.07 0 82.2 0 0 0 0 2 [87]CBS-QB3 calculations from Sumathi 2003. -559. CO_birad C/H/Cs3 300-1500 8.89E+07 1.51 0 79.2 0 0 0 0 2 [87]CBS-QB3 calculations from Sumathi 2003. -560. CO_birad CsO_H 300-2000 0.127 3.7 0 53.36 0 0 0 0 2 CBS-QB3 calculations by Franklin, 2010 -561. carbene ethene 250-2000 6.63E+11 0.0073 0 -1.045 0 0 0 0 2 Polino -562. carbene Cd_pri 250-2000 3.50E+10 0.465 0 -1.742 0 0 0 0 2 Polino, [carbene,propadiene] as model reaction -563. carbene acetylene 250-2000 1.65E+7 1.475 0 -1.651 0 0 0 0 2 Polino -564. carbene Ct_H 250-2000 1.02E+8 1.249 0 -2.214 0 0 0 0 2 Polino [carbene, propyne] as model reaction -565. carbene C_pri/Cd 250-2000 6.62E+12 0.324 0 -0.935 0 0 0 0 2 Polino [carbene,propene] -566. carbene C_pri/Ct 250-2000 2.47E+9 0.797 0 -1.174 0 0 0 0 2 Polino [carbene,2-butyne] -567. carbene Cd/H/NonDeC 250-2000 1.07E+13 -0.274 0 -0.686 0 0 0 0 2 Polino [carbene,propene] -568. carbene Cd/H/OneDe 250-200 1.84E+10 0.498 0 -1.758 0 0 0 0 2 Polino [carbene,1,3-butadiene] diff --git a/output/RMG_database/kinetics_groups/1,2_Insertion/reactionAdjList.txt b/output/RMG_database/kinetics_groups/1,2_Insertion/reactionAdjList.txt deleted file mode 100755 index 87ecbac076..0000000000 --- a/output/RMG_database/kinetics_groups/1,2_Insertion/reactionAdjList.txt +++ /dev/null @@ -1,24 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 29, 2003 // -// // -////////////////////////////////////////////////////// - - -// f11 1,2_insertion - -Y_birad + RR' -> R_CO_R' - -forward -reverse(f12): 1,1_Elimination - -Actions 1 -(1) BREAK_BOND {*2,S,*3} -(2) FORM_BOND {*1,S,*2} -(3) FORM_BOND {*1,S,*3} -(4) LOSE_RADICAL {*1,2} - - - diff --git a/output/RMG_database/kinetics_groups/1,2_Insertion/tree.txt b/output/RMG_database/kinetics_groups/1,2_Insertion/tree.txt deleted file mode 100755 index a2bc0d7ff3..0000000000 --- a/output/RMG_database/kinetics_groups/1,2_Insertion/tree.txt +++ /dev/null @@ -1,69 +0,0 @@ -//f11 : insertion reaction (1,2-insertion) C.D.W. 01/29/03 - -// note from sumathy: the reason to get rid of CH2 and Oa : -// In F11, I have now removed CH2 and O insertion. I am restricting myself -// to the CO insertion to C-H and C-C bond giving rise to "Aldehyde" and -// "Ketone" for this reaction family. The other reactions seem not to be -// favourable. Especially with CH2T and Oat it is not possible. It has to be -// singlet. I now feel it is not necessary. -// note from nyee: I'm reinstating at least CH2(singlet) seeing as I have a paper with some of the rates. See rateLib for reference - - -L1: Y_birad - L2: CO_birad - L2: carbene - -L1: RR' - L2: R_H - L3: H2 - L3: Cs_H - L4: C_methane - L4: C_pri - L5: C_pri/NonDeC - L5: C_pri/NonDeO - L5: C_pri/De - L6: C_pri/Cd - L6: C_pri/Ct - L4: C_sec - L5: C/H2/NonDeC - L5: C/H2/NonDeO - L6: C/H2/CsO - L6: C/H2/O2 - L5: C/H2/OneDe - L6: C/H2/OneDeC - L6: C/H2/OneDeO - L5: C/H2/TwoDe - L4: C_ter - L5: C/H/NonDeC - L6: C/H/Cs3 - L6: C/H/NDMustO - L5: C/H/OneDe - L6: C/H/Cs2 - L6: C/H/ODMustO - L5: C/H/TwoDe - L6: C/H/Cs - L6: C/H/TDMustO - L5: C/H/ThreeDe - L3: Cd_H - L4: Cd_pri - L5: ethene - L4: Cd_sec - L5: Cd/H/NonDeC - L5: Cd/H/NonDeO - L5: Cd/H/OneDe - L3: Cb_H - L3: RO_H - L4: CsO_H - L3: Ct_H - L4: acetylene - L2 : R_R' - L3: Cs_Cs - L4: C_methyl_C_methyl - L4: C_methyl_C_pri - L4: C_methyl_C_sec - L4: C_methyl_C_ter - L3: Cs_Cd - L4: C_methyl_Cd_pri - L4: C_methyl_Cd_sec - - L3: Cs_Cb diff --git a/output/RMG_database/kinetics_groups/1,2_shiftS/dictionary.txt b/output/RMG_database/kinetics_groups/1,2_shiftS/dictionary.txt deleted file mode 100644 index 6c8ea0a657..0000000000 --- a/output/RMG_database/kinetics_groups/1,2_shiftS/dictionary.txt +++ /dev/null @@ -1,716 +0,0 @@ -XSYJ -1 *1 C 0 {2,S} -2 *2 S 0 {1,S} {3,S} -3 *3 {R!H} 1 {2,S} - -// -// YJ-Ss tree -// - -YJ-Ss -1 *3 {R!H} 1 - -CJ-Ss -1 *3 C 1 - -CsJ-Ss -1 *3 Cs 1 {2,S} {3,S} -2 R 0 {1,S} -3 R 0 {1,S} - -CsJ-SsHH -1 *3 Cs 1 {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -CsJ-SsCsH -1 *3 Cs 1 {2,S} {3,S} -2 Cs 0 {1,S} -3 H 0 {1,S} - -CsJ-SsCsCs -1 *3 Cs 1 {2,S} {3,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} - -CsJ-SsSsH -1 *3 Cs 1 {2,S} {3,S} -2 Ss 0 {1,S} -3 H 0 {1,S} - -CsJ-SsSsSs -1 *3 Cs 1 {2,S} {3,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} - -CsJ-SsCsSs -1 *3 Cs 1 {2,S} {3,S} -2 Cs 0 {1,S} -3 Ss 0 {1,S} - -CsJ-SsOneDe -1 *3 Cs 1 {2,S} {3,S} -2 R 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-SsOneDeH -1 *3 Cs 1 {2,S} {3,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-SsCdH -1 *3 Cs 1 {2,S} {3,S} -2 H 0 {1,S} -3 Cd 0 {1,S} - -CsJ-SsOneDeCs -1 *3 Cs 1 {2,S} {3,S} -2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-SsCdCs -1 *3 Cs 1 {2,S} {3,S} -2 Cs 0 {1,S} -3 Cd 0 {1,S} - -CsJ-SsOneDeSs -1 *3 Cs 1 {2,S} {3,S} -2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-SsCdSs -1 *3 Cs 1 {2,S} {3,S} -2 Ss 0 {1,S} -3 Cd 0 {1,S} - -CdsJ-Ss -1 *3 Cd 1 {2,D} -2 C 0 {1,D} - -SJ-Ss -1 *3 Ss 1 - -// -// X-Ss Tree -// - -X-Ss -union {C-Ss} - -C-Ss -1 *1 C 0 - -Cs-Ss -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -Cs-SsHHH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs-SsCsHH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs-SsCsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cs-SsCsCsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsOsHH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs-SsOsOsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 H 0 {1,S} - -Cs-SsOsOsOs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} - -Cs-SsSsHH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs-SsSsSsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -Cs-SsSsSsSs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -Cs-SsOsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cs-SsOsCsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsOsOsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsSsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cs-SsSsCsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsSsSsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsOneDe -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {H,Cs,Os,Ss} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -Cs-SsOneDeHH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs-SsCdHH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -Cs-SsCtHH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs-SsCbHH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs-SsCOHH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs-SsC=SHH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 Sd 0 {2,D} - -Cs-SsOneDeCsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cs-SsCdCsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -Cs-SsCtCsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cs-SsCbCsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cs-SsCOCsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cs-SsC=SCsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Sd 0 {2,D} - -Cs-SsOneDeCsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsCdCsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -Cs-SsCtCsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsCbCsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsCOCsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsC=SCsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Sd 0 {2,D} - -Cs-SsOneDeOsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 H 0 {1,S} - -Cs-SsOneDeSsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -Cs-SsOneDeOsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsOneDeOsOs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} - -Cs-SsOneDeOsSs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Ss 0 {1,S} - -Cs-SsOneDeSsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsOneDeSsSs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -Cs-SsTwoDe -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -Cs-SsTwoDeH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -Cs-SsCdCdH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -Cs-SsCdCtH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -Cs-SsCdCbH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -Cs-SsCdCOH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 CO 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -Cs-SsCdC=SH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 C 0 {2,D} -6 Sd 0 {3,D} - -Cs-SsCtCtH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ct 0 {1,S} -4 H 0 {1,S} - -Cs-SsCtCbH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cb 0 {1,S} -4 H 0 {1,S} - -Cs-SsCtCOH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -Cs-SsCtC=SH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -Cs-SsCbCbH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cb 0 {1,S} -4 H 0 {1,S} - -Cs-SsCbCOH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -Cs-SsCbC=SH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -Cs-SsCOCOH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -Cs-SsCOC=SH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -Cs-SsC=SC=SH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 Sd 0 {2,D} -6 Sd 0 {3,D} - -Cs-SsTwoDeCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsCdCdCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -Cs-SsCdCtCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -Cs-SsCdCbCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -Cs-SsCdCOCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 CO 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -Cs-SsCdC=SCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 C 0 {2,D} -6 Sd 0 {3,D} - -Cs-SsCtCtCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsCtCbCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsCtCOCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsCtC=SCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -Cs-SsCbCbCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsCbCOCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsCbC=SCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -Cs-SsCOCOCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsCOC=SCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -Cs-SsC=SC=SCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 Sd 0 {2,D} -6 Sd 0 {3,D} - -Cs-SsTwoDeOs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Os 0 {1,S} - -Cs-SsTwoDeSs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -Cs-SsThreeDe -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cds-Ss -1 *1 C 0 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -Cds-SsH -1 *1 C 0 {2,D}, {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -Cds-SsCs -1 *1 C 0 {2,D}, {3,S} -2 C 0 {1,D} -3 Cs 0 {1,S} - -Cds-SsCd -1 *1 C 0 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -Cds-SsCt -1 *1 C 0 {2,D}, {3,S} -2 C 0 {1,D} -3 Ct 0 {1,S} - -Cds-SsCb -1 *1 C 0 {2,D}, {3,S} -2 C 0 {1,D} -3 Cb 0 {1,S} - -Cds-SsCO -1 *1 C 0 {2,D}, {3,S} -2 C 0 {1,D} -3 CO 0 {1,S} - -Cds-SsC=S -1 *1 C 0 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 Sd 0 {3,D} - -Cds-SsOs -1 *1 C 0 {2,D}, {3,S} -2 C 0 {1,D} -3 Os 0 {1,S} - -Cds-SsSs -1 *1 C 0 {2,D}, {3,S} -2 C 0 {1,D} -3 Ss 0 {1,S} - -Ct-Ss -1 *1 Ct 0 {2,T} -2 C 0 {1,T} - -Cb-Ss -1 *1 Cb 0 - -C=S-Ss -1 *1 Cd 0 {2,D}, {3,S} -2 Sd 0 {1,D} -3 R 0 {1,S} - -C=S-SsH -1 *1 Cd 0 {2,D}, {3,S} -2 Sd 0 {1,D} -3 H 0 {1,S} - -C=S-SsCs -1 *1 Cd 0 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cs 0 {1,S} - -C=S-SsCd -1 *1 Cd 0 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -C=S-SsCt -1 *1 Cd 0 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Ct 0 {1,S} - -C=S-SsCb -1 *1 Cd 0 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cb 0 {1,S} - -C=S-SsCO -1 *1 Cd 0 {2,D}, {3,S} -2 Sd 0 {1,D} -3 CO 0 {1,S} - -C=S-SsC=S -1 *1 Cd 0 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 Sd 0 {3,D} - -C=S-SsOs -1 *1 Cd 0 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Os 0 {1,S} - -C=S-SsSs -1 *1 Cd 0 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Ss 0 {1,S} \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/1,2_shiftS/rateLibrary.txt b/output/RMG_database/kinetics_groups/1,2_shiftS/rateLibrary.txt deleted file mode 100644 index 100363119c..0000000000 --- a/output/RMG_database/kinetics_groups/1,2_shiftS/rateLibrary.txt +++ /dev/null @@ -1,6 +0,0 @@ - -Arrhenius_EP - -// CBS-QB3 calculations - -1 XSYJ YJ-Ss X-Ss 300-1500 1E+08 2 0 40 0 0 0 0 1 Aaron Vandeputte CBS-QB3 HO diff --git a/output/RMG_database/kinetics_groups/1,2_shiftS/reactionAdjList.txt b/output/RMG_database/kinetics_groups/1,2_shiftS/reactionAdjList.txt deleted file mode 100644 index 5d53eef18e..0000000000 --- a/output/RMG_database/kinetics_groups/1,2_shiftS/reactionAdjList.txt +++ /dev/null @@ -1,25 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan. 20, 2003 // -// // -////////////////////////////////////////////////////// - - -// f01 Intramolecular substitution on S -// migrating group *1 -// sulfur atom *2 -// radical centre *3 - -XSYJ -> XSYJ - -forward -reverse(f08): 1,2_S_radical_shift - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) FORM_BOND {*1,S,*3} -(3) GAIN_RADICAL {*2,1} -(4) LOSE_RADICAL {*3,1} - diff --git a/output/RMG_database/kinetics_groups/1,2_shiftS/tree.txt b/output/RMG_database/kinetics_groups/1,2_shiftS/tree.txt deleted file mode 100644 index 4499f1dc9e..0000000000 --- a/output/RMG_database/kinetics_groups/1,2_shiftS/tree.txt +++ /dev/null @@ -1,133 +0,0 @@ -// 1,2_shiftS - -L1: XSYJ - -// YJ-Ss tree - -L1: YJ-Ss - L2: CJ-Ss - L3: CsJ-Ss - L4: CsJ-SsHH - L4: CsJ-SsCsH - L4: CsJ-SsCsCs - L4: CsJ-SsSsH - L4: CsJ-SsSsSs - L4: CsJ-SsCsSs - L4: CsJ-SsOneDe - L5: CsJ-SsOneDeH - L6: CsJ-SsCdH - L5: CsJ-SsOneDeCs - L6: CsJ-SsCdCs - L5: CsJ-SsOneDeSs - L6: CsJ-SsCdSs - L3: CdsJ-Ss - L2: SJ-Ss - -// The X-Ss tree is equal to the radical tree - -L1: X-Ss -// L2: H-Ss this is a intra H shift - L2: C-Ss - L3: Cs-Ss - L4: Cs-SsHHH - L4: Cs-SsCsHH - L4: Cs-SsCsCsH - L4: Cs-SsCsCsCs - L4: Cs-SsOsHH - L4: Cs-SsOsCsH - L4: Cs-SsOsCsCs - L4: Cs-SsOsOsH - L4: Cs-SsOsOsCs - L4: Cs-SsOsOsOs - L4: Cs-SsSsHH - L4: Cs-SsSsCsH - L4: Cs-SsSsCsCs - L4: Cs-SsSsSsH - L4: Cs-SsSsSsCs - L4: Cs-SsSsSsSs - L4: Cs-SsOneDe - L5: Cs-SsOneDeHH - L6: Cs-SsCdHH - L6: Cs-SsCtHH - L6: Cs-SsCbHH - L6: Cs-SsCOHH - L6: Cs-SsC=SHH - L5: Cs-SsOneDeCsH - L6: Cs-SsCdCsH - L6: Cs-SsCtCsH - L6: Cs-SsCbCsH - L6: Cs-SsCOCsH - L6: Cs-SsC=SCsH - L5: Cs-SsOneDeOsH - L5: Cs-SsOneDeSsH - L5: Cs-SsOneDeCsCs - L6: Cs-SsCdCsCs - L6: Cs-SsCtCsCs - L6: Cs-SsCbCsCs - L6: Cs-SsCOCsCs - L6: Cs-SsC=SCsCs - L5: Cs-SsOneDeOsCs - L5: Cs-SsOneDeSsCs - L5: Cs-SsOneDeOsOs - L5: Cs-SsOneDeOsSs - L5: Cs-SsOneDeSsSs - L4: Cs-SsTwoDe - L5: Cs-SsTwoDeH - L6: Cs-SsCdCdH - L6: Cs-SsCdCtH - L6: Cs-SsCdCbH - L6: Cs-SsCdCOH - L6: Cs-SsCdC=SH - L6: Cs-SsCtCtH - L6: Cs-SsCtCbH - L6: Cs-SsCtCOH - L6: Cs-SsCtC=SH - L6: Cs-SsCbCbH - L6: Cs-SsCbCOH - L6: Cs-SsCbC=SH - L6: Cs-SsCOCOH - L6: Cs-SsCOC=SH - L6: Cs-SsC=SC=SH - L5: Cs-SsTwoDeCs - L6: Cs-SsCdCdCs - L6: Cs-SsCdCtCs - L6: Cs-SsCdCbCs - L6: Cs-SsCdCOCs - L6: Cs-SsCdC=SCs - L6: Cs-SsCtCtCs - L6: Cs-SsCtCbCs - L6: Cs-SsCtCOCs - L6: Cs-SsCtC=SCs - L6: Cs-SsCbCbCs - L6: Cs-SsCbCOCs - L6: Cs-SsCbC=SCs - L6: Cs-SsCOCOCs - L6: Cs-SsCOC=SCs - L6: Cs-SsC=SC=SCs - L5: Cs-SsTwoDeOs - L5: Cs-SsTwoDeSs - L4: Cs-SsThreeDe - L3: Cds-Ss - L4: Cds-SsH - L4: Cds-SsCs - L4: Cds-SsCd - L4: Cds-SsCt - L4: Cds-SsCb - L4: Cds-SsCO - L4: Cds-SsC=S - L4: Cds-SsOs - L4: Cds-SsSs - L3: Ct-Ss - L3: Cb-Ss - L3: C=S-Ss - L4: C=S-SsH - L4: C=S-SsCs - L4: C=S-SsCd - L4: C=S-SsCt - L4: C=S-SsCb - L4: C=S-SsCO - L4: C=S-SsC=S - L4: C=S-SsOs - L4: C=S-SsSs - -// NO S-Ss = same reactions as substitution S isomerization diff --git a/output/RMG_database/kinetics_groups/1,3_Insertion_CO2/comments.rst b/output/RMG_database/kinetics_groups/1,3_Insertion_CO2/comments.rst deleted file mode 100644 index 1264d4d078..0000000000 --- a/output/RMG_database/kinetics_groups/1,3_Insertion_CO2/comments.rst +++ /dev/null @@ -1,6 +0,0 @@ -572 - 575 Some of the tortional motions in the alkyl part of the -transition states are treated as free rotations as they are relatively loose TSs. - -The dictionary defines CO2 in two ways, allowing the R-R' to insert either way -around. However, there are only rates for one of these ways. The other is -presumably matching the top level node. \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/1,3_Insertion_CO2/dictionary.txt b/output/RMG_database/kinetics_groups/1,3_Insertion_CO2/dictionary.txt deleted file mode 100755 index fba9637bad..0000000000 --- a/output/RMG_database/kinetics_groups/1,3_Insertion_CO2/dictionary.txt +++ /dev/null @@ -1,342 +0,0 @@ -//f13 : 1,3-insertion reaction C.D.W. 01/29/03 - -// Cat, I am sorry to modify it so differently. I think I was wrong while discussing -// with you. We will consider only co2 and H2O or HOR elimination -// from acid and ester in this reaction family. - -CO2 -Union {CO2_Od,CO2_Cdd} - -// *3 (H if there is one) bonds to the *1 -// *4 (usually C) bonds on the *2 - -CO2_Od -1 *2 Cdd 0 {2,D} {3,D} -2 *1 Od 0 {1,D} -3 Od 0 {1,D} - -CO2_Cdd -1 *1 Cdd 0 {2,D} {3,D} -2 *2 Od 0 {1,D} -3 Od 0 {1,D} - -RR' -Union {R_H,R_R'} - -R_H -1 *3 {H,Cs,Cd,Cb,Sis,Sid} 0 {2,S} -2 *4 H 0 {1,S} - -H2 -1 *3 H 0 {2,S} -2 *4 H 0 {1,S} - -Cs_H -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} -5 R 0 {1,S} - -C_methane -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -C_pri -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {R!H} 0 {1,S} - -C_pri/NonDeC -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {1,S} - -C_pri/NonDeO -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {1,S} - -C_pri/De -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {1,S} - -C_sec -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {1,S} - -C/H2/NonDeC -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -C/H2/NonDeO -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H2/CsO -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} -5 Cs 0 {1,S} - -C/H2/O2 -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} -5 O 0 {1,S} - -C/H2/OneDe -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H2/OneDeC -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 Cs 0 {1,S} - -C/H2/OneDeO -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 O 0 {1,S} - -C/H2/TwoDe -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 {Cd,Ct,CO,Cb} 0 {1,S} - -C_ter -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {1,S} - -C/H/NonDeC -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/Cs3 -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -C/H/NDMustO -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/OneDe -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/Cs2 -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -C/H/ODMustO -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/TwoDe -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/Cs -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Cs 0 {1,S} - -C/H/TDMustO -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 O 0 {1,S} - -C/H/ThreeDe -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_H -1 *3 Cd 0 {2,D}, {3,S}, {4,S} -2 Cd 0 {1,D} -3 *4 H 0 {1,S} -4 R 0 {1,S} - -Cd_pri -1 *3 Cd 0 {2,D}, {3,S}, {4,S} -2 Cd 0 {1,D} -3 *4 H 0 {1,S} -4 H 0 {1,S} - -Cd_sec -1 *3 Cd 0 {2,D}, {3,S}, {4,S} -2 Cd 0 {1,D} -3 *4 H 0 {1,S} -4 {R!H} 0 {1,S} - -Cd/H/NonDeC -1 *3 Cd 0 {2,D}, {3,S}, {4,S} -2 Cd 0 {1,D} -3 *4 H 0 {1,S} -4 Cs 0 {1,S} - -Cd/H/NonDeO -1 *3 Cd 0 {2,D}, {3,S}, {4,S} -2 Cd 0 {1,D} -3 *4 H 0 {1,S} -4 Os 0 {1,S} - -Cd/H/OneDe -1 *3 Cd 0 {2,D}, {3,S}, {4,S} -2 Cd 0 {1,D} -3 *4 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cb_H -1 *3 Cb 0 {2,B}, {3,S} -2 {Cb,Cbf} 0 {1,B} -3 *4 H 0 {1,S} - -R_R' -1 *3 {Cs,Sis} 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 {Cs,Cd,Cb,Sis,Sid} 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -Cs_Cs -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -C_methyl_C_methyl -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Cs 0 {1,S}, {6,S}, {7,S}, {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 H 0 {2,S} - -C_methyl_C_pri -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Cs 0 {1,S}, {6,S}, {7,S}, {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 C 0 {2,S} - -C_methyl_C_sec -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Cs 0 {1,S}, {6,S}, {7,S}, {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 C 0 {2,S} -8 C 0 {2,S} - -C_methyl_C_ter -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Cs 0 {1,S}, {6,S}, {7,S}, {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {2,S} -7 C 0 {2,S} -8 C 0 {2,S} - -Cs_Cd -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -C_methyl_Cd_pri -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Cd 0 {1,S}, {6,S}, {7,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 C 0 {2,D} - -C_methyl_Cd_sec -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Cd 0 {1,S}, {6,S}, {7,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {2,S} -7 C 0 {2,D} - -Cs_Cb -1 *3 Cs 0 {2,S}, {3,S} {4,S}, {5,S} -2 *4 Cb 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - diff --git a/output/RMG_database/kinetics_groups/1,3_Insertion_CO2/rateLibrary.txt b/output/RMG_database/kinetics_groups/1,3_Insertion_CO2/rateLibrary.txt deleted file mode 100755 index 6e2f8d64f2..0000000000 --- a/output/RMG_database/kinetics_groups/1,3_Insertion_CO2/rateLibrary.txt +++ /dev/null @@ -1,25 +0,0 @@ -// rate library for f13: 1,3 insertion for CO2 - - - -// JS, define key word for format of the rate: either Arrhenius or Arrhenius_EP - -Arrhenius_EP - - - -//f13_1,3_insertion_CO2 -// Catherina Wijaya Thesis pg 130 - -// [87] Sumathi et al (2003) - CBS-QB3 calculations. - -// rate constants from rate_library_4.txt, Cath, 03/07/28 - -//No. CO2 RR' Temp. A n a E0 DA Dn Da DE0 Rank Comments -571. CO2 RR' 300-1500 1E+05 2 0 75 0 0 0 0 0 Default -572. CO2_Cdd H2 300-1500 1.51E+09 1.23 0 73.9 0 0 0 0 2 [87]CBS-QB3 calculations from Sumathi 2003. -573. CO2_Cdd C_methane 300-1500 4.53E+03 2.83 0 79.2 0 0 0 0 2 [87]CBS-QB3 calculations from Sumathi 2003. -574. CO2_Cdd C_pri/NonDeC 300-1500 1.09E+04 2.56 0 76.6 0 0 0 0 2 [87]CBS-QB3 calculations from Sumathi 2003. -575. CO2_Cdd C/H2/NonDeC 300-1500 1.06E+05 2.13 0 77.0 0 0 0 0 2 [87]CBS-QB3 calculations from Sumathi 2003. -576. CO2_Od C_methyl_C_pri 300-1500 7.3E+1 3.13 0 118.0 0 0 0 0 4 Aaron Vandeputte calculation for methylpropanate using BMK/CBSB7 - diff --git a/output/RMG_database/kinetics_groups/1,3_Insertion_CO2/reactionAdjList.txt b/output/RMG_database/kinetics_groups/1,3_Insertion_CO2/reactionAdjList.txt deleted file mode 100755 index 6ade730dec..0000000000 --- a/output/RMG_database/kinetics_groups/1,3_Insertion_CO2/reactionAdjList.txt +++ /dev/null @@ -1,25 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 29, 2003 // -// // -////////////////////////////////////////////////////// - - -// f13 1,3_insertion_CO2 - -CO2 + RR' -> R_(CO2)_R' - -forward -reverse(f14): 1,2_Elimination_CO2 - -Actions 1 -(1) BREAK_BOND {*3,S,*4} -(2) CHANGE_BOND {*1,-1,*2} -(3) FORM_BOND {*1,S,*3} -(4) FORM_BOND {*2,S,*4} - - - - diff --git a/output/RMG_database/kinetics_groups/1,3_Insertion_CO2/tree.txt b/output/RMG_database/kinetics_groups/1,3_Insertion_CO2/tree.txt deleted file mode 100755 index 351e065d64..0000000000 --- a/output/RMG_database/kinetics_groups/1,3_Insertion_CO2/tree.txt +++ /dev/null @@ -1,52 +0,0 @@ -L1: CO2 - L2: CO2_Od - L2: CO2_Cdd - -L1: RR' - L2: R_H - L3: H2 - L3: Cs_H - L4: C_methane - L4: C_pri - L5: C_pri/NonDeC - L5: C_pri/NonDeO - L5: C_pri/De - L4: C_sec - L5: C/H2/NonDeC - L5: C/H2/NonDeO - L6: C/H2/CsO - L6: C/H2/O2 - L5: C/H2/OneDe - L6: C/H2/OneDeC - L6: C/H2/OneDeO - L5: C/H2/TwoDe - L4: C_ter - L5: C/H/NonDeC - L6: C/H/Cs3 - L6: C/H/NDMustO - L5: C/H/OneDe - L6: C/H/Cs2 - L6: C/H/ODMustO - L5: C/H/TwoDe - L6: C/H/Cs - L6: C/H/TDMustO - L5: C/H/ThreeDe - L3: Cd_H - L4: Cd_pri - L4: Cd_sec - L5: Cd/H/NonDeC - L5: Cd/H/NonDeO - L5: Cd/H/OneDe - L3: Cb_H - L2: R_R' - L3: Cs_Cs - L4: C_methyl_C_methyl - L4: C_methyl_C_pri - L4: C_methyl_C_sec - L4: C_methyl_C_ter - - L3: Cs_Cd - L4: C_methyl_Cd_pri - L4: C_methyl_Cd_sec - - L3: Cs_Cb diff --git a/output/RMG_database/kinetics_groups/1,3_Insertion_ROR/comments.rst b/output/RMG_database/kinetics_groups/1,3_Insertion_ROR/comments.rst deleted file mode 100644 index 752c800569..0000000000 --- a/output/RMG_database/kinetics_groups/1,3_Insertion_ROR/comments.rst +++ /dev/null @@ -1,3 +0,0 @@ -561 - 570 Some of the tortional motions in the alkyl part of the - -transition states are treated as free rotations as they are relatively loose TSs. \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/1,3_Insertion_ROR/dictionary.txt b/output/RMG_database/kinetics_groups/1,3_Insertion_ROR/dictionary.txt deleted file mode 100755 index ce000f2d30..0000000000 --- a/output/RMG_database/kinetics_groups/1,3_Insertion_ROR/dictionary.txt +++ /dev/null @@ -1,700 +0,0 @@ -// Cat, I have split the 1,2 elimination reaction -//into elimination of CO2 and elimination of -//HOR - -doublebond -Union {Cd_Cdd, Cdd_Cd, Cd_Cd, Sd_Cd} - -Cd_Cdd -1 *1 Cd 0 {2,D} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} - -cco_2H -1 *1 Cd 0 {2,D}, {4,S}, {5,S} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} -4 H 0 {1,S} -5 H 0 {1,S} - -cco_HNd -1 *1 Cd 0 {2,D}, {4,S}, {5,S} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} -4 H 0 {1,S} -5 {Cs,O,S} 0 {1,S} - -cco_HDe -1 *1 Cd 0 {2,D}, {4,S}, {5,S} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO,CS} 0 {1,S} - -cco_Nd2 -1 *1 Cd 0 {2,D}, {4,S}, {5,S} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} -4 {Cs,O,S} 0 {1,S} -5 {Cs,O,S} 0 {1,S} - -cco_NdDe -1 *1 Cd 0 {2,D}, {4,S}, {5,S} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} -4 {Cs,O,S} 0 {1,S} -5 {Cd,Ct,Cb,CO,CS} 0 {1,S} - -cco_De2 -1 *1 Cd 0 {2,D}, {4,S}, {5,S} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 {Cd,Ct,Cb,CO,CS} 0 {1,S} - -Cdd_Cd -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} -3 Od 0 {1,D} - -Cdd_Cd_2H -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D}, {4,S}, {5,S} -3 Od 0 {1,D} -4 H 0 {2,S} -5 H 0 {2,S} - -Cdd_Cd_HNd -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D}, {4,S}, {5,S} -3 Od 0 {1,D} -4 H 0 {2,S} -5 {Cs,O,S} 0 {2,S} - -Cdd_Cd_HDe -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D}, {4,S}, {5,S} -3 Od 0 {1,D} -4 H 0 {2,S} -5 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cdd_Cd_Nd2 -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D}, {4,S}, {5,S} -3 Od 0 {1,D} -4 {Cs,O,S} 0 {2,S} -5 {Cs,O,S} 0 {2,S} - -Cdd_Cd_NdDe -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D}, {4,S}, {5,S} -3 Od 0 {1,D} -4 {Cs,O,S} 0 {2,S} -5 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cdd_Cd_De2 -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D}, {4,S}, {5,S} -3 Od 0 {1,D} -4 {Cd,Ct,Cb,CO,CS} 0 {2,S} -5 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd_Cd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 R 0 {1,S} -4 R 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cd/unsub_Cd/unsub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/unsub_Cd/monosub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -Cd/H2_Cd/H/Nd -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/H2_Cd/H/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/monosub_Cd/unsub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/H/Nd_Cd/H2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/H/De_Cd/H2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/unsub_Cd/disub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -Cd/H2_Cd/Nd2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/H2_Cd/Nd/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/H2_Cd/De2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO,CS} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/disub_Cd/unsub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/Nd2_Cd/H2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/NdDe_Cd/H2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/De2_Cd/H2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO,CS} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/monosub_Cd/monosub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -Cd/H/Nd_Cd/H/Nd -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/H/Nd_Cd/H/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/H/S_Cd/H/Cd -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 S 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} - -Thiophene3 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 S 0 {1,S} {7,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {4,S} {6,D} - -Cd/H/De_Cd/H/Nd -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/H/Cd_Cd/H/S -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 Cd 0 {1,S} -5 H 0 {2,S} -6 S 0 {2,S} - -Thiophene2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 Cd 0 {1,S} {7,D} -5 H 0 {2,S} -6 S 0 {2,S} {7,S} -7 C 0 {4,D} {6,S} - -Cd/H/De_Cd/H/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/monosub_Cd/disub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -Cd/H/Nd_Cd/Nd2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/H/Nd_Cd/Nd/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/H/Nd_Cd/De2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 {Cd,Ct,Cb,CO,CS} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/H/De_Cd/Nd2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/H/De_Cd/Nd/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/H/De_Cd/De2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 {Cd,Ct,Cb,CO,CS} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/disub_Cd/monosub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -Cd/Nd2_Cd/H/Nd -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/Nd2_Cd/H/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/De2_Cd/H/Nd -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO,CS} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/De2_Cd/H/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO,CS} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/Nd/De_Cd/H/Nd -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/Nd/De_Cd/H/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/disub_Cd/disub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -Cd/Nd2_Cd/Nd2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/Nd2_Cd/Nd/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/Nd2_Cd/De2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 {Cd,Ct,Cb,CO,CS} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/Nd/De_Cd/Nd2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/Nd/De_Cd/Nd/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/Nd/De_Cd/De2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 {Cd,Ct,Cb,CO,CS} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/De2_Cd/Nd2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO,CS} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/De2_Cd/Nd/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO,CS} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/De2_Cd/De2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO,CS} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 {Cd,Ct,Cb,CO,CS} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Sd_Cd -Union {Sd_Cds, Sd_Cdd} - -Sd_Cds -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 R 0 {2,S} -4 R 0 {2,S} - -Sd_Cd/unsub -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 H 0 {2,S} - -Sd_Cd/monosub -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {R!H} 0 {2,S} - -Sd_Cd/H/Nd -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cs,O,S} 0 {2,S} - -Sd_Cd/H/De -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Sd_Cd/H/Cb -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 Cb 0 {2,S} - -Sd_Cd/disub -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {R!H} 0 {2,S} -4 {R!H} 0 {2,S} - -Sd_Cd/Nd2 -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {Cs,O,S} 0 {2,S} -4 {Cs,O,S} 0 {2,S} - -Sd_Cd/Nd/De -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {Cs,O,S} 0 {2,S} -4 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Sd_Cd/De2 -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO,CS} 0 {2,S} -4 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Sd_Cdd -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,D} -3 R 0 {2,D} - -R_OR -Union {H_OR,R_OH} - -H_OR -1 *3 H 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 {H,Cs,Cd,Sis,Sid} 0 {2,S} - -H_OH -1 *3 H 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 H 0 {2,S} - -H_OCs -1 *3 H 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cs 0 {2,S} - -H_OCmethyl -1 *3 H 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cs 0 {2,S}, {4,S}, {5,S}, {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -H_OCpri -1 *3 H 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cs 0 {2,S}, {4,S}, {5,S}, {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 C 0 {3,S} - -H_OCsec -1 *3 H 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cs 0 {2,S}, {4,S}, {5,S}, {6,S} -4 H 0 {3,S} -5 C 0 {3,S} -6 C 0 {3,S} - -H_OCter -1 *3 H 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cs 0 {2,S}, {4,S}, {5,S}, {6,S} -4 C 0 {3,S} -5 C 0 {3,S} -6 C 0 {3,S} - -H_OCd -1 *3 H 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cd 0 {2,S} - -H_OCdpri -1 *3 H 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cd 0 {2,S}, {4,D}, {5,S} -4 Cd 0 {3,D} -5 H 0 {3,S} - -H_OCdsec -1 *3 H 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cd 0 {2,S}, {4,D}, {5,S} -4 Cd 0 {3,D} -5 C 0 {3,S} - -R_OH -1 *3 {Cs,Cd,Sis,Sid} 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 H 0 {2,S} - -Cs_OH -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Os 0 {1,S}, {6,S} -3 {Cs,H} 0 {1,S} -4 {Cs,H} 0 {1,S} -5 {Cs,H} 0 {1,S} -6 H 0 {2,S} - -CH3OH -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Os 0 {1,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} - -C_pri_OH -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Os 0 {1,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {1,S} -6 H 0 {2,S} - -C_sec_OH -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Os 0 {1,S}, {6,S} -3 H 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} -6 H 0 {2,S} - -C_ter_OH -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Os 0 {1,S}, {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} -6 H 0 {2,S} - - -Cd_OH -1 *3 Cd 0 {2,D}, {3,S}, {4,S} -2 Cd 0 {1,D} -3 *4 Os 0 {1,S}, {5,S} -4 R 0 {1,S} -5 H 0 {3,S} - -Cd_pri_OH -1 *3 Cd 0 {2,D}, {3,S}, {4,S} -2 Cd 0 {1,D} -3 *4 Os 0 {1,S}, {5,S} -4 H 0 {1,S} -5 H 0 {3,S} - -Cd_sec_OH -1 *3 Cd 0 {2,D}, {3,S}, {4,S} -2 Cd 0 {1,D} -3 *4 Os 0 {1,S}, {5,S} -4 {R!H} 0 {1,S} -5 H 0 {3,S} - - diff --git a/output/RMG_database/kinetics_groups/1,3_Insertion_ROR/rateLibrary.txt b/output/RMG_database/kinetics_groups/1,3_Insertion_ROR/rateLibrary.txt deleted file mode 100755 index 0dfab6d00c..0000000000 --- a/output/RMG_database/kinetics_groups/1,3_Insertion_ROR/rateLibrary.txt +++ /dev/null @@ -1,50 +0,0 @@ -// rate library for f13: 1,3 insertion for ROR - - - -// JS, define key word for format of the rate: either Arrhenius or Arrhenius_EP - -Arrhenius_EP - - - -//f13_1,3_insertion_ROR -// Catherina Wijaya Thesis pg 130 - -// [87] Sumathi et al (2003) - CBS-QB3 calculations. - -// rate constants from rate_library_4.txt, Cath, 03/07/28 - -//No. doublebond R_OR Temp. A N a E0 DA Dn Da DE0 Rank Comments -560. doublebond R_OR 300-1500 1E+02 3 0 45 0 0 0 0 0 Default -561. Cd/H2_Cd/Nd2 H_OCmethyl 300-1500 9.36E+01 2.85 0 41.9 0 0 0 0 3 [87]CBS-QB3 calculations from Sumathi 2003. -562. Cd/H2_Cd/H/Nd H_OCmethyl 300-1500 2.48E+01 2.93 0 43.9 0 0 0 0 3 [87]CBS-QB3 calculations from Sumathi 2003. -563. Cd/unsub_Cd/unsub H_OCmethyl 300-1500 4.73E+01 3.00 0 47.0 0 0 0 0 3 [87]CBS-QB3 calculations from Sumathi 2003. -564. cco_2H H_OH 300-1500 1.57E+02 3.04 0 39.4 0 0 0 0 3 [87]CBS-QB3 calculations from Sumathi 2003. -565. cco_HNd H_OH 300-1500 5.15E+01 3.05 0 41.0 0 0 0 0 3 [87]CBS-QB3 calculations from Sumathi 2003. -566. cco_Nd2 H_OH 300-1500 1.45E+03 2.80 0 40.8 0 0 0 0 3 [87]CBS-QB3 calculations from Sumathi 2003. -567. Cd/unsub_Cd/unsub H_OH 300-1500 1.47E+02 2.94 0 53.1 0 0 0 0 3 [87]CBS-QB3 calculations from Sumathi 2003. -568. Cd/H/Nd_Cd/H2 H_OH 300-1500 2.27E+02 2.74 0 56.9 0 0 0 0 3 [87]CBS-QB3 calculations from Sumathi 2003. -569. Cd/H2_Cd/H/Nd H_OH 300-1500 6.52E+01 2.92 0 50.7 0 0 0 0 3 [87]CBS-QB3 calculations from Sumathi 2003. -570. Cd/H2_Cd/Nd2 H_OH 300-1500 1.25E+03 2.76 0 48.5 0 0 0 0 3 [87]CBS-QB3 calculations from Sumathi 2003. -701. Sd_Cd/unsub H_OH 300-1500 9.60E+02 2.43 0 28.13 0 0 0 0 3 CBS-QB3 calculations by CAC -702. Sd_Cd/H/Nd H_OH 300-1500 5.96E+00 2.77 0 20.07 0 0 0 0 3 CBS-QB3 calculations by CAC, F12 energy -703. Thiophene2 H_OH 300-1500 1.50E+01 3.15 0 63.64 0 0 0 0 3 CBS-QB3 calc w/ 1dhr, by CAC -704. Thiophene3 H_OH 300-1500 5.10E+01 3.11 0 63.03 0 0 0 0 3 CBS-QB3 calc w/ 1dhr, by CAC -705. Sd_Cd/H/Cb H_OH 300-1500 3.69E+02 2.58 0 32.46 0 0 0 0 3 CBS-QB3 calc w/ 1dhr, CAC -706. Sd_Cd/Nd2 H_OH 300-2000 9.09E-01 3.14 0 36.8 0 0 0 0 4 CBS-QB3 HO - -// Rules 707 -709 are obtained by reversing the dehydration rate for butanol isomers -// Thermochemistry obtained from butanol mechanism dx.doi.org/10.1016/j.combustflame.2010.06.002 - -// 707 n-Butanol decomposition reaction, experimental measurements by Claudette Rosada Reyes JPCA (2012) 116, 9825-9831 -707. Cd/H/Nd_Cd/H2 H_OH 300-2000 6.104e+07 1.287 0 60.9 0 0 0 0 2 -// 708 Dehydration of Isobutanol and the Elimination of Water from Fuel Alcohols by Claudette Rosada Reyes JPCA (2013) DOI: 10.1021/jp4045513 -708. Cd/Nd2_Cd/H2 H_OH 300-2000 5.181e+07 1.302 0 62.9 0 0 0 0 2 -// 709 Dehydration of Isobutanol and the Elimination of Water from Fuel Alcohols by Claudette Rosada Reyes JPCA (2013) DOI: 10.1021/jp4045513 -709. Cd/H2_Cd/Nd2 H_OH 300-2000 3.013e+05 1.820 0 51.1 0 0 0 0 2 -// Estimate made from rule 707. -710. Cd/H/De_Cd/H2 H_OH 300-2000 6.104e+07 1.287 0 60.9 0 0 0 0 4 Same as rule 707 - - - \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/1,3_Insertion_ROR/reactionAdjList.txt b/output/RMG_database/kinetics_groups/1,3_Insertion_ROR/reactionAdjList.txt deleted file mode 100755 index af73650884..0000000000 --- a/output/RMG_database/kinetics_groups/1,3_Insertion_ROR/reactionAdjList.txt +++ /dev/null @@ -1,25 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 29, 2003 // -// // -////////////////////////////////////////////////////// - - -// f11 1,3_insertion_ROR - -doublebond + R_OR -> R_doublebond_OR - -forward -reverse(f14): 1,2_Elimination_ROR - -Actions 1 -(1) BREAK_BOND {*3,S,*4} -(2) CHANGE_BOND {*1,-1,*2} -(3) FORM_BOND {*1,S,*3} -(4) FORM_BOND {*2,S,*4} - - - - diff --git a/output/RMG_database/kinetics_groups/1,3_Insertion_ROR/tree.txt b/output/RMG_database/kinetics_groups/1,3_Insertion_ROR/tree.txt deleted file mode 100755 index ce4d6c51de..0000000000 --- a/output/RMG_database/kinetics_groups/1,3_Insertion_ROR/tree.txt +++ /dev/null @@ -1,103 +0,0 @@ -//Cat, I have split the 1,2 elimination reaction -//into elimination of CO2 and elimination of -//HOR - -L1: doublebond - L2: Cd_Cdd - L3: cco_2H - L3: cco_HNd - L3: cco_HDe - L3: cco_Nd2 - L3: cco_NdDe - L3: cco_De2 - - L2: Cdd_Cd - L3: Cdd_Cd_2H - L3: Cdd_Cd_HNd - L3: Cdd_Cd_HDe - L3: Cdd_Cd_Nd2 - L3: Cdd_Cd_NdDe - L3: Cdd_Cd_De2 - - L2: Cd_Cd - L3: Cd/unsub_Cd/unsub - L3: Cd/unsub_Cd/monosub - L4: Cd/H2_Cd/H/Nd - L4: Cd/H2_Cd/H/De - L3: Cd/monosub_Cd/unsub - L4: Cd/H/Nd_Cd/H2 - L4: Cd/H/De_Cd/H2 - L3: Cd/unsub_Cd/disub - L4: Cd/H2_Cd/Nd2 - L4: Cd/H2_Cd/Nd/De - L4: Cd/H2_Cd/De2 - L3: Cd/disub_Cd/unsub - L4: Cd/Nd2_Cd/H2 - L4: Cd/NdDe_Cd/H2 - L4: Cd/De2_Cd/H2 - L3: Cd/monosub_Cd/monosub - L4: Cd/H/Nd_Cd/H/Nd - L4: Cd/H/Nd_Cd/H/De - L5: Cd/H/S_Cd/H/Cd - L6: Thiophene3 - L4: Cd/H/De_Cd/H/Nd - L5: Cd/H/Cd_Cd/H/S - L6: Thiophene2 - L4: Cd/H/De_Cd/H/De - L3: Cd/monosub_Cd/disub - L4: Cd/H/Nd_Cd/Nd2 - L4: Cd/H/Nd_Cd/Nd/De - L4: Cd/H/Nd_Cd/De2 - L4: Cd/H/De_Cd/Nd2 - L4: Cd/H/De_Cd/Nd/De - L4: Cd/H/De_Cd/De2 - L3: Cd/disub_Cd/monosub - L4: Cd/Nd2_Cd/H/Nd - L4: Cd/Nd2_Cd/H/De - L4: Cd/De2_Cd/H/Nd - L4: Cd/De2_Cd/H/De - L4: Cd/Nd/De_Cd/H/Nd - L4: Cd/Nd/De_Cd/H/De - L3: Cd/disub_Cd/disub - L4: Cd/Nd2_Cd/Nd2 - L4: Cd/Nd2_Cd/Nd/De - L4: Cd/Nd2_Cd/De2 - L4: Cd/Nd/De_Cd/Nd2 - L4: Cd/Nd/De_Cd/Nd/De - L4: Cd/Nd/De_Cd/De2 - L4: Cd/De2_Cd/Nd2 - L4: Cd/De2_Cd/Nd/De - L4: Cd/De2_Cd/De2 - L2: Sd_Cd - L3: Sd_Cds - L4: Sd_Cd/unsub - L4: Sd_Cd/monosub - L5: Sd_Cd/H/Nd - L5: Sd_Cd/H/De - L6: Sd_Cd/H/Cb - L4: Sd_Cd/disub - L5: Sd_Cd/Nd2 - L5: Sd_Cd/Nd/De - L5: Sd_Cd/De2 - L3: Sd_Cdd -L1: R_OR - L2: H_OR - L3: H_OH - L3: H_OCs - L4: H_OCmethyl - L4: H_OCpri - L4: H_OCsec - L4: H_OCter - L3: H_OCd - L4: H_OCdpri - L4: H_OCdsec - L2: R_OH - L3: Cs_OH - L4: CH3OH - L4: C_pri_OH - L4: C_sec_OH - L4: C_ter_OH - L3: Cd_OH - L4: Cd_pri_OH - L4: Cd_sec_OH - diff --git a/output/RMG_database/kinetics_groups/1,3_Insertion_RSR/dictionary.txt b/output/RMG_database/kinetics_groups/1,3_Insertion_RSR/dictionary.txt deleted file mode 100644 index 7db5b2bf35..0000000000 --- a/output/RMG_database/kinetics_groups/1,3_Insertion_RSR/dictionary.txt +++ /dev/null @@ -1,682 +0,0 @@ -//dictionary for 1,3_Insertion_RSR - -doublebond -Union {Cd_Cdd, Cdd_Cd, Cd_Cd, Od_Cd, Sd_Cd} - -Cd_Cdd -1 *1 Cd 0 {2,D} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} - -cco_2H -1 *1 Cd 0 {2,D}, {4,S}, {5,S} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} -4 H 0 {1,S} -5 H 0 {1,S} - -cco_HNd -1 *1 Cd 0 {2,D}, {4,S}, {5,S} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} -4 H 0 {1,S} -5 {Cs,O,S} 0 {1,S} - -cco_HDe -1 *1 Cd 0 {2,D}, {4,S}, {5,S} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO,CS} 0 {1,S} - -cco_Nd2 -1 *1 Cd 0 {2,D}, {4,S}, {5,S} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} -4 {Cs,O,S} 0 {1,S} -5 {Cs,O,S} 0 {1,S} - -cco_NdDe -1 *1 Cd 0 {2,D}, {4,S}, {5,S} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} -4 {Cs,O,S} 0 {1,S} -5 {Cd,Ct,Cb,CO,CS} 0 {1,S} - -cco_De2 -1 *1 Cd 0 {2,D}, {4,S}, {5,S} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 {Cd,Ct,Cb,CO,CS} 0 {1,S} - -Cdd_Cd -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} -3 Od 0 {1,D} - -Cdd_Cd_2H -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D}, {4,S}, {5,S} -3 Od 0 {1,D} -4 H 0 {2,S} -5 H 0 {2,S} - -Cdd_Cd_HNd -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D}, {4,S}, {5,S} -3 Od 0 {1,D} -4 H 0 {2,S} -5 {Cs,O,S} 0 {2,S} - -Cdd_Cd_HDe -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D}, {4,S}, {5,S} -3 Od 0 {1,D} -4 H 0 {2,S} -5 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cdd_Cd_Nd2 -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D}, {4,S}, {5,S} -3 Od 0 {1,D} -4 {Cs,O,S} 0 {2,S} -5 {Cs,O,S} 0 {2,S} - -Cdd_Cd_NdDe -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D}, {4,S}, {5,S} -3 Od 0 {1,D} -4 {Cs,O,S} 0 {2,S} -5 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cdd_Cd_De2 -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D}, {4,S}, {5,S} -3 Od 0 {1,D} -4 {Cd,Ct,Cb,CO,CS} 0 {2,S} -5 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd_Cd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 R 0 {1,S} -4 R 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cd/unsub_Cd/unsub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/unsub_Cd/monosub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -Cd/H2_Cd/H/Nd -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/H2_Cd/H/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/monosub_Cd/unsub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/H/Nd_Cd/H2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/H/De_Cd/H2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/unsub_Cd/disub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -Cd/H2_Cd/Nd2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/H2_Cd/Cs2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cd/H2_Cd/Nd/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/H2_Cd/De2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO,CS} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/disub_Cd/unsub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/Nd2_Cd/H2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/NdDe_Cd/H2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/De2_Cd/H2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO,CS} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/monosub_Cd/monosub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -Cd/H/Nd_Cd/H/Nd -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/H/Nd_Cd/H/Os -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 H 0 {2,S} -6 O 0 {2,S} - -Cd/H/Nd_Cd/H/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/H/De_Cd/H/Nd -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/H/De_Cd/H/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/monosub_Cd/disub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -Cd/H/Nd_Cd/Nd2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/H/Nd_Cd/Nd/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/H/Nd_Cd/De2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 {Cd,Ct,Cb,CO,CS} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/H/De_Cd/Nd2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/H/De_Cd/Nd/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/H/De_Cd/De2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 {Cd,Ct,Cb,CO,CS} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/disub_Cd/monosub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -Cd/Nd2_Cd/H/Nd -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/Nd2_Cd/H/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/De2_Cd/H/Nd -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO,CS} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/De2_Cd/H/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO,CS} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/Nd/De_Cd/H/Nd -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/Nd/De_Cd/H/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/disub_Cd/disub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -Cd/Nd2_Cd/Nd2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/Nd2_Cd/Nd/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/Nd2_Cd/De2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 {Cd,Ct,Cb,CO,CS} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/Nd/De_Cd/Nd2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/Nd/De_Cd/Nd/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/Nd/De_Cd/De2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O,S} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 {Cd,Ct,Cb,CO,CS} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/De2_Cd/Nd2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO,CS} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cs,O,S} 0 {2,S} - -Cd/De2_Cd/Nd/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO,CS} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 {Cs,O,S} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Cd/De2_Cd/De2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO,CS} 0 {1,S} -4 {Cd,Ct,Cb,CO,CS} 0 {1,S} -5 {Cd,Ct,Cb,CO,CS} 0 {2,S} -6 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Od_Cd -Union {Od_Cds, Od_Cdd} - -Od_Cds -1 *1 Od 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 R 0 {2,S} -4 R 0 {2,S} - -Od_Cd/unsub -1 *1 Od 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 H 0 {2,S} - -Od_Cd/monosub -1 *1 Od 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {R!H} 0 {2,S} - -Od_Cd/H/Nd -1 *1 Od 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cs,O,S} 0 {2,S} - -Od_Cd/H/Os -1 *1 Od 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 O 0 {2,S} - -Od_Cd/H/De -1 *1 Od 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -Od_Cd/H/Cb -1 *1 Od 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 Cb 0 {2,S} - -Od_Cd/disub -1 *1 Od 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {R!H} 0 {2,S} -4 {R!H} 0 {2,S} - -Od_Cd/Nd2 -1 *1 Od 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {Cs,O,S} 0 {2,S} -4 {Cs,O,S} 0 {2,S} - -Od_Cd/Nd/De -1 *1 Od 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {Cs,O,S} 0 {2,S} -4 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Od_Cd/De2 -1 *1 Od 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO,CS} 0 {2,S} -4 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Od_Cdd -1 *1 Od 0 {2,D} -2 *2 Cd 0 {1,D} {3,D} -3 R 0 {2,D} - -Sd_Cd -Union {Sd_Cds, Sd_Cdd} - -Sd_Cds -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 R 0 {2,S} -4 R 0 {2,S} - -Sd_Cd/unsub -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 H 0 {2,S} - -Sd_Cd/monosub -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {R!H} 0 {2,S} - -Sd_Cd/H/Nd -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cs,O,S} 0 {2,S} - -Sd_Cd/H/De -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Sd_Cd/disub -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {R!H} 0 {2,S} -4 {R!H} 0 {2,S} - -Sd_Cd/Nd2 -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {Cs,O,S} 0 {2,S} -4 {Cs,O,S} 0 {2,S} - -Sd_Cd/Nd/De -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {Cs,O,S} 0 {2,S} -4 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Sd_Cd/De2 -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO,CS} 0 {2,S} -4 {Cd,Ct,Cb,CO,CS} 0 {2,S} - -Sd_Cdd -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,D} -3 R 0 {2,D} - - -R_SR -Union {H_SR,R_SH} - -H_SR -1 *3 H 0 {2,S} -2 *4 Ss 0 {1,S} {3,S} -3 R 0 {2,S} - -H_SH -1 *3 H 0 {2,S} -2 *4 Ss 0 {1,S} {3,S} -3 H 0 {2,S} - -H_SCs -1 *3 H 0 {2,S} -2 *4 Ss 0 {1,S} {3,S} -3 Cs 0 {2,S} - -H_SCs(HHH) -1 *3 H 0 {2,S} -2 *4 Ss 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -H_SCs(CsHH) -1 *3 H 0 {2,S} -2 *4 Ss 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -H_SCs(CsCsH) -1 *3 H 0 {2,S} -2 *4 Ss 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -H_SCs(CsCsCs) -1 *3 H 0 {2,S} -2 *4 Ss 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -H_SCd -1 *3 H 0 {2,S} -2 *4 Ss 0 {1,S} {3,S} -3 Cd 0 {2,S} - -R_SH -1 *3 {R!H} 0 {2,S} -2 *4 Ss 0 {1,S} {3,S} -3 H 0 {2,S} - -Cs_SH -1 *3 Cs 0 {2,S} -2 *4 Ss 0 {1,S} {3,S} -3 H 0 {2,S} - -Cd_SH -1 *3 Cd 0 {2,S} -2 *4 Ss 0 {1,S} {3,S} -3 H 0 {2,S} - diff --git a/output/RMG_database/kinetics_groups/1,3_Insertion_RSR/rateLibrary.txt b/output/RMG_database/kinetics_groups/1,3_Insertion_RSR/rateLibrary.txt deleted file mode 100644 index 0b338003a7..0000000000 --- a/output/RMG_database/kinetics_groups/1,3_Insertion_RSR/rateLibrary.txt +++ /dev/null @@ -1,28 +0,0 @@ -// rate library for f13: 1,3 insertion for RSR - - - -// JS, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -//No. doublebond R_SR Temp. A N a E0 DA Dn Da DE0 Rank Comments -// (K) (cm3/mol/s) (kcal/mol) -100. doublebond R_SR 300-1500 1E+02 3 0 50 0 0 0 0 0 Default -101. Od_Cd/unsub H_SH 300-1500 5.02E+01 3.01 0 38.7 0 0 0 0 5 CBS-QB3 calculations from CAC -102. Od_Cd/H/Nd H_SH 300-1500 6.13E+01 2.77 0 36.30 0 0 0 0 5 CBS-QB3 calculations from CAC, energy from F12 -103. Cd/unsub_Cd/unsub H_SH 300-1500 3.48E+01 3.35 0 49.6 0 0 0 0 5 CBS-QB3 by CAC -104. Cd/H2_Cd/H/Nd H_SH 300-1500 5.79E+00 3.42 0 51.3 0 0 0 0 5 CBS-QB3 by CAC -//105 should be checked -105. Cd/H/Nd_Cd/H2 H_SH 300-1500 2.51E+01 3.02 0 47.34 0 0 0 0 3 CBS-QB3 by CAC -106. Cd/H/Nd_Cd/H2 H_SCs 300-1500 1.78E+00 3.20 0 43.4 0 0 0 0 5 CBS-QB3 by CAC -107. Od_Cd/H/Cb H_SH 300-1500 1.08E+02 2.74 0 35.36 0 0 0 0 5 CBS-QB3 by CAC -108. Cd/unsub_Cd/unsub H_SH 300-1500 4.44E-01 3.55 0 44.5 0 0 0 0 2 CBS-QB3 by AGV -109. Cd/H2_Cd/H/Nd H_SH 300-1500 4.71E+01 3.02 0 42.0 0 0 0 0 2 CBS-QB3 by AGV -110. Cd/H2_Cd/Cs2 H_SH 300-1500 4.67E+01 3.02 0 42.0 0 0 0 0 2 CBS-QB3 by AGV -111. Cd/unsub_Cd/unsub H_SCs(HHH) 300-1500 3.60E-01 3.64 0 41.3 0 0 0 0 2 CBS-QB3 by AGV -112. Cd/H2_Cd/H/Nd H_SCs(HHH) 300-1500 2.50E+00 3.33 0 40.4 0 0 0 0 2 CBS-QB3 by AGV -113. Cd/H2_Cd/Cs2 H_SCs(HHH) 300-1500 3.40E+01 3.07 0 39.9 0 0 0 0 2 CBS-QB3 by AGV -114. Cd/unsub_Cd/unsub H_SCs(CsHH) 300-1500 2.61E-01 3.67 0 41.3 0 0 0 0 2 CBS-QB3 by AGV -113. Cd/H2_Cd/Cs2 H_SCs(CsCsCs) 300-1500 1.24E+00 3.33 0 40.4 0 0 0 0 2 CBS-QB3 by AGV -114. Od_Cd/H/Os H_SH 300-1500 7.78E+00 2.97 0 39.9 0 0 0 0 4 CBS-QB3 by CAC HO -115. Cd/H/Nd_Cd/H/Os H_SH 300-1500 2.17E+04 2.90 0 42.0 0 0 0 0 3 CBS-QB3 by CAC, 1dhr diff --git a/output/RMG_database/kinetics_groups/1,3_Insertion_RSR/reactionAdjList.txt b/output/RMG_database/kinetics_groups/1,3_Insertion_RSR/reactionAdjList.txt deleted file mode 100644 index aebfdbac9b..0000000000 --- a/output/RMG_database/kinetics_groups/1,3_Insertion_RSR/reactionAdjList.txt +++ /dev/null @@ -1,21 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList for 1,3_Insertion_RSR // -// // -// Jing Song, Jan 29, 2003 // -// // -////////////////////////////////////////////////////// - - -// f11 1,3_insertion_RSR - -doublebond + R_SR -> R_singlebond_SR - -forward -reverse(f14): 1,2_Elimination_RSR - -Actions 1 -(1) BREAK_BOND {*3,S,*4} -(2) CHANGE_BOND {*1,-1,*2} -(3) FORM_BOND {*1,S,*3} -(4) FORM_BOND {*2,S,*4} \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/1,3_Insertion_RSR/tree.txt b/output/RMG_database/kinetics_groups/1,3_Insertion_RSR/tree.txt deleted file mode 100644 index a4b3ffa901..0000000000 --- a/output/RMG_database/kinetics_groups/1,3_Insertion_RSR/tree.txt +++ /dev/null @@ -1,103 +0,0 @@ -// tree for doublebond+RSR - -L1: doublebond - L2: Cd_Cdd - L3: cco_2H - L3: cco_HNd - L3: cco_HDe - L3: cco_Nd2 - L3: cco_NdDe - L3: cco_De2 - - L2: Cdd_Cd - L3: Cdd_Cd_2H - L3: Cdd_Cd_HNd - L3: Cdd_Cd_HDe - L3: Cdd_Cd_Nd2 - L3: Cdd_Cd_NdDe - L3: Cdd_Cd_De2 - - L2: Cd_Cd - L3: Cd/unsub_Cd/unsub - L3: Cd/unsub_Cd/monosub - L4: Cd/H2_Cd/H/Nd - L4: Cd/H2_Cd/H/De - L3: Cd/monosub_Cd/unsub - L4: Cd/H/Nd_Cd/H2 - L4: Cd/H/De_Cd/H2 - L3: Cd/unsub_Cd/disub - L4: Cd/H2_Cd/Nd2 - L5: Cd/H2_Cd/Cs2 - L4: Cd/H2_Cd/Nd/De - L4: Cd/H2_Cd/De2 - L3: Cd/disub_Cd/unsub - L4: Cd/Nd2_Cd/H2 - L4: Cd/NdDe_Cd/H2 - L4: Cd/De2_Cd/H2 - L3: Cd/monosub_Cd/monosub - L4: Cd/H/Nd_Cd/H/Nd - L5: Cd/H/Nd_Cd/H/Os - L4: Cd/H/Nd_Cd/H/De - L4: Cd/H/De_Cd/H/Nd - L4: Cd/H/De_Cd/H/De - L3: Cd/monosub_Cd/disub - L4: Cd/H/Nd_Cd/Nd2 - L4: Cd/H/Nd_Cd/Nd/De - L4: Cd/H/Nd_Cd/De2 - L4: Cd/H/De_Cd/Nd2 - L4: Cd/H/De_Cd/Nd/De - L4: Cd/H/De_Cd/De2 - L3: Cd/disub_Cd/monosub - L4: Cd/Nd2_Cd/H/Nd - L4: Cd/Nd2_Cd/H/De - L4: Cd/De2_Cd/H/Nd - L4: Cd/De2_Cd/H/De - L4: Cd/Nd/De_Cd/H/Nd - L4: Cd/Nd/De_Cd/H/De - L3: Cd/disub_Cd/disub - L4: Cd/Nd2_Cd/Nd2 - L4: Cd/Nd2_Cd/Nd/De - L4: Cd/Nd2_Cd/De2 - L4: Cd/Nd/De_Cd/Nd2 - L4: Cd/Nd/De_Cd/Nd/De - L4: Cd/Nd/De_Cd/De2 - L4: Cd/De2_Cd/Nd2 - L4: Cd/De2_Cd/Nd/De - L4: Cd/De2_Cd/De2 - L2: Od_Cd - L3: Od_Cds - L4: Od_Cd/unsub - L4: Od_Cd/monosub - L5: Od_Cd/H/Nd - L6: Od_Cd/H/Os - L5: Od_Cd/H/De - L6: Od_Cd/H/Cb - L4: Od_Cd/disub - L5: Od_Cd/Nd2 - L5: Od_Cd/Nd/De - L5: Od_Cd/De2 - L3: Od_Cdd - L2: Sd_Cd - L3: Sd_Cds - L4: Sd_Cd/unsub - L4: Sd_Cd/monosub - L5: Sd_Cd/H/Nd - L5: Sd_Cd/H/De - L4: Sd_Cd/disub - L5: Sd_Cd/Nd2 - L5: Sd_Cd/Nd/De - L5: Sd_Cd/De2 - L3: Sd_Cdd - -L1: R_SR - L2: H_SR - L3: H_SH - L3: H_SCs - L4: H_SCs(HHH) - L4: H_SCs(CsHH) - L4: H_SCs(CsCsH) - L4: H_SCs(CsCsCs) - L3: H_SCd - L2: R_SH - L3: Cs_SH - L3: Cd_SH diff --git a/output/RMG_database/kinetics_groups/1,4_Cyclic_birad_scission/dictionary.txt b/output/RMG_database/kinetics_groups/1,4_Cyclic_birad_scission/dictionary.txt deleted file mode 100644 index a8bbb04551..0000000000 --- a/output/RMG_database/kinetics_groups/1,4_Cyclic_birad_scission/dictionary.txt +++ /dev/null @@ -1,31 +0,0 @@ - -RJJ -Union { R5JJ, R6JJ, R7JJ } - - -R5JJ -1 *1 R 1 {2,{S,D}} {5,S} -2 *2 R 0 {1,{S,D}} {3,S} -3 *3 R 0 {2,S} {4,{S,D}} -4 *4 R 1 {3,{S,D}} {5,S} -5 R 0 {1,S} {4,S} - -R6JJ -1 *1 R 1 {2,{S,D}} {5,S} -2 *2 R 0 {1,{S,D}} {3,S} -3 *3 R 0 {2,S} {4,{S,D}} -4 *4 R 1 {3,{S,D}} {6,S} -5 R 0 {1,S} {6,S} -6 R 0 {5,S} {4,S} - -R7JJ -1 *1 R 1 {2,{S,D}} {5,S} -2 *2 R 0 {1,{S,D}} {3,S} -3 *3 R 0 {2,S} {4,{S,D}} -4 *4 R 1 {3,{S,D}} {7,S} -5 R 0 {1,S} {6,S} -6 R 0 {5,S} {7,S} -7 R 0 {6,S} {4,S} - - - diff --git a/output/RMG_database/kinetics_groups/1,4_Cyclic_birad_scission/forbiddenGroups.txt b/output/RMG_database/kinetics_groups/1,4_Cyclic_birad_scission/forbiddenGroups.txt deleted file mode 100644 index e69de29bb2..0000000000 diff --git a/output/RMG_database/kinetics_groups/1,4_Cyclic_birad_scission/rateLibrary.txt b/output/RMG_database/kinetics_groups/1,4_Cyclic_birad_scission/rateLibrary.txt deleted file mode 100644 index 799491ff73..0000000000 --- a/output/RMG_database/kinetics_groups/1,4_Cyclic_birad_scission/rateLibrary.txt +++ /dev/null @@ -1,9 +0,0 @@ - -Arrhenius_EP - -//No. RJJ Temp. A n a E0 DA Dn Da DE0 Rank Comments - -1 RJJ 300-1500 1.0E+13 0 0 0 0 0 0 0 5 AG Vandeputte estimate (should be fast) - - - diff --git a/output/RMG_database/kinetics_groups/1,4_Cyclic_birad_scission/reactionAdjList.txt b/output/RMG_database/kinetics_groups/1,4_Cyclic_birad_scission/reactionAdjList.txt deleted file mode 100644 index 21c7317cf7..0000000000 --- a/output/RMG_database/kinetics_groups/1,4_Cyclic_birad_scission/reactionAdjList.txt +++ /dev/null @@ -1,22 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Aaron Vandeputte 2013 // -// // -////////////////////////////////////////////////////// - - -// f34 Biradicals in 1 4 position leading to bond scission ~ beta-scission -RJJ -> diene - -forward -reverse: none - -Actions 1 -(1) BREAK_BOND {*2,S,*3} -(2) LOSE_RADICAL {*1,1} -(3) LOSE_RADICAL {*4,1} -(4) CHANGE_BOND {*1,1,*2} -(5) CHANGE_BOND {*3,1,*4} - diff --git a/output/RMG_database/kinetics_groups/1,4_Cyclic_birad_scission/tree.txt b/output/RMG_database/kinetics_groups/1,4_Cyclic_birad_scission/tree.txt deleted file mode 100644 index a26ed4f712..0000000000 --- a/output/RMG_database/kinetics_groups/1,4_Cyclic_birad_scission/tree.txt +++ /dev/null @@ -1,5 +0,0 @@ - -L1: RJJ - L2: R5JJ - L2: R6JJ - L2: R7JJ diff --git a/output/RMG_database/kinetics_groups/1,4_Linear_birad_scission/dictionary.txt b/output/RMG_database/kinetics_groups/1,4_Linear_birad_scission/dictionary.txt deleted file mode 100644 index da27cc8424..0000000000 --- a/output/RMG_database/kinetics_groups/1,4_Linear_birad_scission/dictionary.txt +++ /dev/null @@ -1,8 +0,0 @@ - -RJJ -1 *1 R 1 {2,{S,D}} -2 *2 R 0 {1,{S,D}} {3,S} -3 *3 R 0 {2,S} {4,{S,D}} -4 *4 R 1 {3,{S,D}} - - diff --git a/output/RMG_database/kinetics_groups/1,4_Linear_birad_scission/forbiddenGroups.txt b/output/RMG_database/kinetics_groups/1,4_Linear_birad_scission/forbiddenGroups.txt deleted file mode 100644 index e69de29bb2..0000000000 diff --git a/output/RMG_database/kinetics_groups/1,4_Linear_birad_scission/rateLibrary.txt b/output/RMG_database/kinetics_groups/1,4_Linear_birad_scission/rateLibrary.txt deleted file mode 100644 index 4c83d085e9..0000000000 --- a/output/RMG_database/kinetics_groups/1,4_Linear_birad_scission/rateLibrary.txt +++ /dev/null @@ -1,9 +0,0 @@ - -Arrhenius_EP - -//No. RJJ Temp. A n a E0 DA Dn Da DE0 Rank Comments - -1 RJJ 300-1500 5.0E+12 0 0 0 0 0 0 0 5 AG Vandeputte estimate (should be fast) - - - diff --git a/output/RMG_database/kinetics_groups/1,4_Linear_birad_scission/reactionAdjList.txt b/output/RMG_database/kinetics_groups/1,4_Linear_birad_scission/reactionAdjList.txt deleted file mode 100644 index 1c06a63c6a..0000000000 --- a/output/RMG_database/kinetics_groups/1,4_Linear_birad_scission/reactionAdjList.txt +++ /dev/null @@ -1,24 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Aaron Vandeputte 2013 // -// // -////////////////////////////////////////////////////// - - -// f35 Biradicals in 1 4 position leading to bond scission ~ beta-scission -// Birad2 => 2 indicates I form two products -// eg CH2CH2CH2CH2 => 2 CH2CH2 -RJJ -> ene1 + ene2 - -forward -reverse: none - -Actions 1 -(1) LOSE_RADICAL {*1,1} -(2) LOSE_RADICAL {*4,1} -(3) CHANGE_BOND {*1,1,*2} -(4) CHANGE_BOND {*3,1,*4} -(5) BREAK_BOND {*2,S,*3} - diff --git a/output/RMG_database/kinetics_groups/1,4_Linear_birad_scission/tree.txt b/output/RMG_database/kinetics_groups/1,4_Linear_birad_scission/tree.txt deleted file mode 100644 index 32a7faeece..0000000000 --- a/output/RMG_database/kinetics_groups/1,4_Linear_birad_scission/tree.txt +++ /dev/null @@ -1,6 +0,0 @@ - -L1: RJJ - - - - diff --git a/output/RMG_database/kinetics_groups/2+2_cycloaddition_CCO/comments.rst b/output/RMG_database/kinetics_groups/2+2_cycloaddition_CCO/comments.rst deleted file mode 100644 index e69de29bb2..0000000000 diff --git a/output/RMG_database/kinetics_groups/2+2_cycloaddition_CCO/dictionary.txt b/output/RMG_database/kinetics_groups/2+2_cycloaddition_CCO/dictionary.txt deleted file mode 100755 index 89b86ce962..0000000000 --- a/output/RMG_database/kinetics_groups/2+2_cycloaddition_CCO/dictionary.txt +++ /dev/null @@ -1,145 +0,0 @@ -//f17_2cycloaddition to ketenyl bond - -CCO -1 *1 Cd 0 {2,D} -2 *2 Cdd 0 {1,D} {3,D} -3 Od 0 {2,D} - -CCO_2H -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 Od 0 {2,D} - -CCO_HNd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D} {5,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 Od 0 {2,D} - -CCO_HDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D} {5,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -CCO_Nd2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 Od 0 {2,D} - -CCO_NdDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -CCO_De2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D} {5,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -doublebond -Union {mb_CCO, mb_COC} - -mb_CCO -1 *3 Cd 0 {2,D} -2 *4 Cdd 0 {1,D} {3,D} -3 Od 0 {2,D} - -mb_CCO_2H -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_HNd -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D} {5,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_HDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D} {5,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_Nd2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D}, {5,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_NdDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D}, {5,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_De2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D} {5,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -mb_COC -1 *3 Cdd 0 {2,D} {3,D} -2 *4 Cd 0 {1,D} -3 Od 0 {1,D} - -mb_COC_2H -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 H 0 {2,S} -5 Od 0 {1,D} - -mb_COC_HNd -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cs,O} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_HDe -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_Nd2 -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cs,O} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_NdDe -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_De2 -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Od 0 {1,D} diff --git a/output/RMG_database/kinetics_groups/2+2_cycloaddition_CCO/rateLibrary.txt b/output/RMG_database/kinetics_groups/2+2_cycloaddition_CCO/rateLibrary.txt deleted file mode 100755 index dc1ad8c724..0000000000 --- a/output/RMG_database/kinetics_groups/2+2_cycloaddition_CCO/rateLibrary.txt +++ /dev/null @@ -1,14 +0,0 @@ -// rate library for f17c: 2+2-cycloaddition_CCO - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -//f15c_2+2-cycloaddition_CCO -// from rate_library_4.txt, Cath, 03/07/28 - -// Catherina Wijaya thesis, pg 131 - -// [107] Quick, L. M. Int. J. Chem. Kinet. 1972, 4, 61. - -//No. CCO doublebond Temp. A n a E0 DA Dn Da DE0 Rank Comments -588. CCO doublebond 300-1500 6.92E+10 0 0 43.72 0 0 0 0 0 Quick et al. [107] diff --git a/output/RMG_database/kinetics_groups/2+2_cycloaddition_CCO/reactionAdjList.txt b/output/RMG_database/kinetics_groups/2+2_cycloaddition_CCO/reactionAdjList.txt deleted file mode 100755 index c1d837b05f..0000000000 --- a/output/RMG_database/kinetics_groups/2+2_cycloaddition_CCO/reactionAdjList.txt +++ /dev/null @@ -1,23 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 31, 2003 // -// // -////////////////////////////////////////////////////// - - -// f17c 2+2-cycloaddition_CCO - -CCO + doublebond -> four_ring - -forward -reverse(f18): Four_Ring_Cleavage_CCO - -Actions 1 -(1) CHANGE_BOND {*1,-1,*2} -(2) CHANGE_BOND {*3,-1,*4} -(3) FORM_BOND {*1,S,*3} -(4) FORM_BOND {*2,S,*4} - - diff --git a/output/RMG_database/kinetics_groups/2+2_cycloaddition_CCO/tree.txt b/output/RMG_database/kinetics_groups/2+2_cycloaddition_CCO/tree.txt deleted file mode 100755 index 1e2f6c6a47..0000000000 --- a/output/RMG_database/kinetics_groups/2+2_cycloaddition_CCO/tree.txt +++ /dev/null @@ -1,27 +0,0 @@ -//f17_2cycloaddition to ketenyl bond - -L1: CCO - L2: CCO_2H - L2: CCO_HNd - L2: CCO_HDe - L2: CCO_Nd2 - L2: CCO_NdDe - L2: CCO_De2 - -L1: doublebond - L2: mb_CCO - L3: mb_CCO_2H - L3: mb_CCO_HNd - L3: mb_CCO_HDe - L3: mb_CCO_Nd2 - L3: mb_CCO_NdDe - L3: mb_CCO_De2 - L2: mb_COC - L3: mb_COC_2H - L3: mb_COC_HNd - L3: mb_COC_HDe - L3: mb_COC_Nd2 - L3: mb_COC_NdDe - L3: mb_COC_De2 - - diff --git a/output/RMG_database/kinetics_groups/2+2_cycloaddition_CO/comments.rst b/output/RMG_database/kinetics_groups/2+2_cycloaddition_CO/comments.rst deleted file mode 100644 index d5be512c26..0000000000 --- a/output/RMG_database/kinetics_groups/2+2_cycloaddition_CO/comments.rst +++ /dev/null @@ -1,35 +0,0 @@ -General comments go at the top of the file, - -------- -General -------- -or in a section(s) titled 'General' - -.. the ID must match those in the rateLibrary AS A STRING (ie. '2' is different from '02') - ---- -588 ---- -MRH CBS-QB3 calculations for the reverse of the reaction sequence *CH2-cycle(CH-CH2-O-O) => *CH2-O-O-CH=CH2 ==> CH2O + CH2CHO - -Previous RMG estimate for this reaction was an "Average of average" estimate, in addition to RMG needing -to increase the estimated Ea by ~20 kcal/mol because the barrier was not greater than the endothermicity. -This reaction was of interest to MRH/MHS because the butanol model was sensitive to allyl+O2 => CH2O+CH2CHO. -The high-p limit kinetics were necessary to estimate a k(T,P) for this PES. - -The kinetics correspond to the reaction CH2O+CH2CHO => *CH2-cycle(CH-CH2-O-O) - -Reactant: 0 hindered rotors -TS: 0 hindered rotors were considered (the only low-frequency torisonal mode corresponded to - a hindered rotation within the cycle; MRH did not think treating this as a 1-d separable - hindered rotor was accurate) -Product: 1 hindered rotor was considered (the *CH2 torsion) - -All external symmetry numbers were set equal to one, except for CH2O which was set to two. -MRH could not find a stable geometry for *CH2-O-O-CH=CH2 at the B3LYP/6-31G(d) level (the method/basis -used in the CBS-QB3 method), it would always optimize to CH2O + CH2CHO. Furthermore, MRH did not run an -IRC for the TS, to confirm the TS would fall apart to CH2O + CH2CHO (instead of CH2-OO-CH=CH2), hence the lowest -ranking of "5" assigned to this rate coefficient. - -The k(T) was calculated from 600 - 2000 K, in 200 K intervals, and the fitted Arrhenius expression from CanTherm was: -k(T) = 2.319e-01 * (T/1K)^3.416 * exp(-77.107 kcal/mol / RT) cm3/mol/s. diff --git a/output/RMG_database/kinetics_groups/2+2_cycloaddition_CO/dictionary.txt b/output/RMG_database/kinetics_groups/2+2_cycloaddition_CO/dictionary.txt deleted file mode 100755 index b82a8516f2..0000000000 --- a/output/RMG_database/kinetics_groups/2+2_cycloaddition_CO/dictionary.txt +++ /dev/null @@ -1,226 +0,0 @@ -//f17_2cycloaddition to carbonyl bond - -CO -1 *1 CO 0 {2,D} -2 *2 Od 0 {1,D} - -CO_2H -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 Od 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - -CO_HNd -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 Od 0 {1,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} - -CO_HDe -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 Od 0 {1,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CO_Nd2 -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 Od 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -CO_NdDe -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 Od 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CO_De2 -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 Od 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CH2CHO -1 *1 C 0 {2,D} {3,S} {4,S} -2 *2 O 0 {1,D} -3 H 0 {1,S} -4 C 1 {1,S} {5,S} {6,S} -5 H 0 {4,S} -6 H 0 {4,S} - -doublebond -Union {mb_CO, mb_OC, mb_CCO, mb_COC} - -mb_CO -1 *3 CO 0 {2,D} -2 *4 Od 0 {1,D} - -mb_CO_2H -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - -mb_CO_HNd -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} - -mb_CO_HDe -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_CO_Nd2 -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -mb_CO_NdDe -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_CO_De2 -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_OC -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} - -mb_OC_2H -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 H 0 {2,S} - -mb_OC_HNd -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cs,O} 0 {2,S} - -mb_OC_HDe -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_OC_Nd2 -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cs,O} 0 {2,S} - -mb_OC_NdDe -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_OC_De2 -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_CCO -1 *3 Cd 0 {2,D} -2 *4 Cdd 0 {1,D} {3,D} -3 Od 0 {2,D} - -mb_CCO_2H -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_HNd -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D} {5,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_HDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D} {5,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_Nd2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D}, {5,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_NdDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D}, {5,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_De2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D} {5,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -mb_COC -1 *3 Cdd 0 {2,D} {3,D} -2 *4 Cd 0 {1,D} -3 Od 0 {1,D} - -mb_COC_2H -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 H 0 {2,S} -5 Od 0 {1,D} - -mb_COC_HNd -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cs,O} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_HDe -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_Nd2 -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cs,O} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_NdDe -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_De2 -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Od 0 {1,D} diff --git a/output/RMG_database/kinetics_groups/2+2_cycloaddition_CO/rateLibrary.txt b/output/RMG_database/kinetics_groups/2+2_cycloaddition_CO/rateLibrary.txt deleted file mode 100755 index 7ca3f93eec..0000000000 --- a/output/RMG_database/kinetics_groups/2+2_cycloaddition_CO/rateLibrary.txt +++ /dev/null @@ -1,11 +0,0 @@ -// rate library for f17b: 2+2-cycloaddition_CO - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -//f15b_2+2-cycloaddition_CO -// from rate_library_4.txt, Cath, 03/07/28 - -//No. CO doublebond Temp. A N a E0 DA Dn Da DE0 Rank Comments -587. CO doublebond 300-1500 6.92E+10 0 0 43.72 0 0 0 0 0 -588 CH2CHO mb_CO_2H 600-2000 2.319E-01 3.416 0 77.107 *5 0 0 2 5 MRH CBS-QB3 calculations with 1d h.r. corrections diff --git a/output/RMG_database/kinetics_groups/2+2_cycloaddition_CO/reactionAdjList.txt b/output/RMG_database/kinetics_groups/2+2_cycloaddition_CO/reactionAdjList.txt deleted file mode 100755 index 4e32ff8bb5..0000000000 --- a/output/RMG_database/kinetics_groups/2+2_cycloaddition_CO/reactionAdjList.txt +++ /dev/null @@ -1,23 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 31, 2003 // -// // -////////////////////////////////////////////////////// - - -// f17b 2+2-cycloaddition_CO - -CO + doublebond -> four_ring - -forward -reverse(f18): Four_Ring_Cleavage_CO - -Actions 1 -(1) CHANGE_BOND {*1,-1,*2} -(2) CHANGE_BOND {*3,-1,*4} -(3) FORM_BOND {*1,S,*3} -(4) FORM_BOND {*2,S,*4} - - diff --git a/output/RMG_database/kinetics_groups/2+2_cycloaddition_CO/tree.txt b/output/RMG_database/kinetics_groups/2+2_cycloaddition_CO/tree.txt deleted file mode 100755 index 874530f01c..0000000000 --- a/output/RMG_database/kinetics_groups/2+2_cycloaddition_CO/tree.txt +++ /dev/null @@ -1,42 +0,0 @@ -//f17_2cycloaddition to carbonyl bond - -L1: CO - L2: CO_2H - L2: CO_HNd - L2: CO_HDe - L2: CO_Nd2 - L2: CO_NdDe - L2: CO_De2 - L2: CH2CHO - -L1: doublebond - L2: mb_CO - L3: mb_CO_2H - L3: mb_CO_HNd - L3: mb_CO_HDe - L3: mb_CO_Nd2 - L3: mb_CO_NdDe - L3: mb_CO_De2 - L2: mb_OC - L3: mb_OC_2H - L3: mb_OC_HNd - L3: mb_OC_HDe - L3: mb_OC_Nd2 - L3: mb_OC_NdDe - L3: mb_OC_De2 - L2: mb_CCO - L3: mb_CCO_2H - L3: mb_CCO_HNd - L3: mb_CCO_HDe - L3: mb_CCO_Nd2 - L3: mb_CCO_NdDe - L3: mb_CCO_De2 - L2: mb_COC - L3: mb_COC_2H - L3: mb_COC_HNd - L3: mb_COC_HDe - L3: mb_COC_Nd2 - L3: mb_COC_NdDe - L3: mb_COC_De2 - - diff --git a/output/RMG_database/kinetics_groups/2+2_cycloaddition_Cd/comments.rst b/output/RMG_database/kinetics_groups/2+2_cycloaddition_Cd/comments.rst deleted file mode 100644 index 598606ac45..0000000000 --- a/output/RMG_database/kinetics_groups/2+2_cycloaddition_Cd/comments.rst +++ /dev/null @@ -1,8 +0,0 @@ - ---- -586 ---- -[107] Quick, L. M. *Int. J. Chem. Kinet.* 1972, 4, 61. - -C2H4 + C2H4 --> cyclobutane, absolute value measured directly using thermal excitation technique -and mass spectrometry. Pressure 0.40 - 1.73 bar. diff --git a/output/RMG_database/kinetics_groups/2+2_cycloaddition_Cd/dictionary.txt b/output/RMG_database/kinetics_groups/2+2_cycloaddition_Cd/dictionary.txt deleted file mode 100755 index 76c97a0048..0000000000 --- a/output/RMG_database/kinetics_groups/2+2_cycloaddition_Cd/dictionary.txt +++ /dev/null @@ -1,847 +0,0 @@ -// f17_2cycloaddition -// Jing remember about the combinations we talked about -// are available. - -db -Union {db_2H,db_HNd,db_HDe,db_Nd2,db_NdDe,db_De2} - -db_2H -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - -db_2H_2H -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -db_2H_monosub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -db_2H_HNd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -db_2H_HDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_2H_disub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -db_2H_Nd2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -db_2H_NdDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_2H_De2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_HNd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {R!H} 0 {2,S} - -db_HNd_monosub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -db_HNd_HNd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -db_HNd_HDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_HNd_disub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -db_HNd_Nd2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -db_HNd_NdDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_HNd_De2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_HDe -Union {db_HDe_HDe,db_HDe_disub} - -db_HDe_HDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_HDe_disub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -db_HDe_Nd2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -db_HDe_NdDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_HDe_De2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_Nd2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -db_Nd2_Nd2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -db_Nd2_NdDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_Nd2_De2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_NdDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {R!H} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_NdDe_NdDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_NdDe_De2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_De2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond -Union {mb_db,mb_CO,mb_OC,mb_CCO,mb_COC} - -mb_db -1 *3 Cd 0 {2,D} -2 *4 Cd 0 {1,D} - -mb_db_2H -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - -mb_db_2H_2H -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -mb_db_2H_monosub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_2H_HNd -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_2H_HDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_2H_disub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_2H_Nd2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_2H_NdDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_2H_De2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_HNd -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} - -mb_db_HNd_2H -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -mb_db_HNd_monosub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_HNd_HNd -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_HNd_HDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_HNd_disub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_HNd_Nd2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_HNd_NdDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_HNd_De2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_HDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_db_HDe_2H -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -mb_db_HDe_monosub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_HDe_HNd -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_HDe_HDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_HDe_disub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_HDe_Nd2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_HDe_NdDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_HDe_De2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_Nd2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -mb_db_Nd2_2H -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -mb_db_Nd2_monosub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_Nd2_HNd -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_Nd2_HDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_Nd2_disub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_Nd2_Nd2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_Nd2_NdDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_Nd2_De2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_NdDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_db_NdDe_2H -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -mb_db_NdDe_monosub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_NdDe_HNd -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_NdDe_HDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_NdDe_disub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_NdDe_Nd2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_NdDe_NdDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_NdDe_De2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_De2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_db_De2_2H -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -mb_db_De2_monosub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_De2_HNd -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_De2_HDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_De2_disub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_De2_Nd2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_De2_NdDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_De2_De2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_CO -1 *3 CO 0 {2,D} -2 *4 Od 0 {1,D} - -mb_CO_2H -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - -mb_CO_HNd -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} - -mb_CO_HDe -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_CO_Nd2 -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -mb_CO_NdDe -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_CO_De2 -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_OC -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} - -mb_OC_2H -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 H 0 {2,S} - -mb_OC_HNd -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cs,O} 0 {2,S} - -mb_OC_HDe -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_OC_Nd2 -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cs,O} 0 {2,S} - -mb_OC_NdDe -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_OC_De2 -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_CCO -1 *3 Cd 0 {2,D} -2 *4 Cdd 0 {1,D} {3,D} -3 Od 0 {2,D} - -mb_CCO_2H -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_HNd -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D} {5,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_HDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D} {5,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_Nd2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D}, {5,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_NdDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D}, {5,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_De2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D} {5,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -mb_COC -1 *3 Cdd 0 {2,D} {3,D} -2 *4 Cd 0 {1,D} -3 Od 0 {1,D} - -mb_COC_2H -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 H 0 {2,S} -5 Od 0 {1,D} - -mb_COC_HNd -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cs,O} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_HDe -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_Nd2 -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cs,O} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_NdDe -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_De2 -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Od 0 {1,D} diff --git a/output/RMG_database/kinetics_groups/2+2_cycloaddition_Cd/rateLibrary.txt b/output/RMG_database/kinetics_groups/2+2_cycloaddition_Cd/rateLibrary.txt deleted file mode 100755 index be92e5c72a..0000000000 --- a/output/RMG_database/kinetics_groups/2+2_cycloaddition_Cd/rateLibrary.txt +++ /dev/null @@ -1,15 +0,0 @@ -// rate library for f17a: 2+2-cycloaddition_Cd - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -//f15a_2+2-cycloaddition_Cd -// from rate_library_4.txt, Cath, 03/07/28 - -// Catherina Wijaya thesis, pg 131 - -// [107] Quick, L. M. Int. J. Chem. Kinet. 1972, 4, 61. - -//No. db doublebond Temp. A n a E0 DA Dn Da DE0 Rank Comments -586. db doublebond 723-786 6.92E+10 0 0 43.72 0 0 0 0 3 Quick et al. [107] -6000. db_2H mb_OC 300-1500 2.33E+06 1.65 0 54.15 *5.0 0 0 0 0 diff --git a/output/RMG_database/kinetics_groups/2+2_cycloaddition_Cd/reactionAdjList.txt b/output/RMG_database/kinetics_groups/2+2_cycloaddition_Cd/reactionAdjList.txt deleted file mode 100755 index 9fe9750fef..0000000000 --- a/output/RMG_database/kinetics_groups/2+2_cycloaddition_Cd/reactionAdjList.txt +++ /dev/null @@ -1,23 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 31, 2003 // -// // -////////////////////////////////////////////////////// - - -// f17a 2+2-cycloaddition_Cd - -db + doublebond -> four_ring - -forward -reverse(f18): Four_Ring_Cleavage_Cd - -Actions 1 -(1) CHANGE_BOND {*1,-1,*2} -(2) CHANGE_BOND {*3,-1,*4} -(3) FORM_BOND {*1,S,*3} -(4) FORM_BOND {*2,S,*4} - - diff --git a/output/RMG_database/kinetics_groups/2+2_cycloaddition_Cd/tree.txt b/output/RMG_database/kinetics_groups/2+2_cycloaddition_Cd/tree.txt deleted file mode 100755 index 0863758b9b..0000000000 --- a/output/RMG_database/kinetics_groups/2+2_cycloaddition_Cd/tree.txt +++ /dev/null @@ -1,119 +0,0 @@ -// f17_2cycloaddition to form tetracyclic compd - -L1: db - L2: db_2H - L3: db_2H_2H - L3: db_2H_monosub - L4: db_2H_HNd - L4: db_2H_HDe - L3: db_2H_disub - L4: db_2H_Nd2 - L4: db_2H_NdDe - L4: db_2H_De2 - L2: db_HNd - L3: db_HNd_monosub - L4: db_HNd_HNd - L4: db_HNd_HDe - L3: db_HNd_disub - L4: db_HNd_Nd2 - L4: db_HNd_NdDe - L4: db_HNd_De2 - L2: db_HDe - L3: db_HDe_HDe - L3: db_HDe_disub - L4: db_HDe_Nd2 - L4: db_HDe_NdDe - L4: db_HDe_De2 - L2: db_Nd2 - L3: db_Nd2_Nd2 - L3: db_Nd2_NdDe - L3: db_Nd2_De2 - L2: db_NdDe - L3: db_NdDe_NdDe - L3: db_NdDe_De2 - L2: db_De2 - -L1: doublebond - L2: mb_db - L3: mb_db_2H - L4: mb_db_2H_2H - L4: mb_db_2H_monosub - L5: mb_db_2H_HNd - L5: mb_db_2H_HDe - L4: mb_db_2H_disub - L5: mb_db_2H_Nd2 - L5: mb_db_2H_NdDe - L5: mb_db_2H_De2 - L3: mb_db_HNd - L4: mb_db_HNd_2H - L4: mb_db_HNd_monosub - L5: mb_db_HNd_HNd - L5: mb_db_HNd_HDe - L4: mb_db_HNd_disub - L5: mb_db_HNd_Nd2 - L5: mb_db_HNd_NdDe - L5: mb_db_HNd_De2 - L3: mb_db_HDe - L4: mb_db_HDe_2H - L4: mb_db_HDe_monosub - L5: mb_db_HDe_HNd - L5: mb_db_HDe_HDe - L4: mb_db_HDe_disub - L5: mb_db_HDe_Nd2 - L5: mb_db_HDe_NdDe - L5: mb_db_HDe_De2 - L3: mb_db_Nd2 - L4: mb_db_Nd2_2H - L4: mb_db_Nd2_monosub - L5: mb_db_Nd2_HNd - L5: mb_db_Nd2_HDe - L4: mb_db_Nd2_disub - L5: mb_db_Nd2_Nd2 - L5: mb_db_Nd2_NdDe - L5: mb_db_Nd2_De2 - L3: mb_db_NdDe - L4: mb_db_NdDe_2H - L4: mb_db_NdDe_monosub - L5: mb_db_NdDe_HNd - L5: mb_db_NdDe_HDe - L4: mb_db_NdDe_disub - L5: mb_db_NdDe_Nd2 - L5: mb_db_NdDe_NdDe - L5: mb_db_NdDe_De2 - L3: mb_db_De2 - L4: mb_db_De2_2H - L4: mb_db_De2_monosub - L5: mb_db_De2_HNd - L5: mb_db_De2_HDe - L4: mb_db_De2_disub - L5: mb_db_De2_Nd2 - L5: mb_db_De2_NdDe - L5: mb_db_De2_De2 - L2: mb_CO - L3: mb_CO_2H - L3: mb_CO_HNd - L3: mb_CO_HDe - L3: mb_CO_Nd2 - L3: mb_CO_NdDe - L3: mb_CO_De2 - L2: mb_OC - L3: mb_OC_2H - L3: mb_OC_HNd - L3: mb_OC_HDe - L3: mb_OC_Nd2 - L3: mb_OC_NdDe - L3: mb_OC_De2 - L2: mb_CCO - L3: mb_CCO_2H - L3: mb_CCO_HNd - L3: mb_CCO_HDe - L3: mb_CCO_Nd2 - L3: mb_CCO_NdDe - L3: mb_CCO_De2 - L2: mb_COC - L3: mb_COC_2H - L3: mb_COC_HNd - L3: mb_COC_HDe - L3: mb_COC_Nd2 - L3: mb_COC_NdDe - L3: mb_COC_De2 \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/Birad_recombination/comments.rst b/output/RMG_database/kinetics_groups/Birad_recombination/comments.rst deleted file mode 100644 index 2b193dd63f..0000000000 --- a/output/RMG_database/kinetics_groups/Birad_recombination/comments.rst +++ /dev/null @@ -1,97 +0,0 @@ ----- -481 ----- - -[185] Roth, W.R.; Scholz, B.P.; Breuckmann, R.; Jelich, K.; Lennartz, H-W. *Chem. Ber.* 1982, 115, 1934. - -CH2=CHC(=CH2)C(=CH2)CH-CH2 --> cyclobutene, 1,2-diethenyl. - -(Apparently, reaction of 4->5; doesn't seem to be a birad recombination; - -note similar reaction in reference 6 - -Data derived from fitting to a complex mechanism. Excitation: thermal, analysis: GC. Pressure 0.01-0.77 atm. - -***Should probably be removed, as this does not fit with this reaction family*** GRM: I have commented it out for the time-being; the reaction that might actually be relevant here is 2->13 (Abb. 1) - -Verified by Greg Magoon (with translation help from CFG); Barrier, DA, and DE0 changed based on Gl. 8 on p. 1937; I didn't check if this was high-pressure limit - ----- -482 ----- - -[186] Benson, S.W. J. Chem. Phys. 1967, 46, 4920. - -CH2=CHCH(.)CH2CH2CH(.)CH=CH2 --> 4-vinylcyclohexene. (Rxn. -c); arises from birad recombination of resonance isomer: .CH2CH=CHCH2CH2CH(.)CH=CH2 - -Data are estimated. - -***this only considers cis-cis isomer reaction*** cis-trans A prefactor is 50% of the value used here; also, on p. 4923, it is stated that cis trans rate is 5/6 of the overall rate, so maybe the k that should be used is 0.6 of the value currently in place? -Verified by Greg Magoon: Rxn. -d. also looks to be of interest here; whether the rate is high-pressure limit was not investigated, but p. 4922 says that pressures involved were low; DE0 uncertainty added; regarding temperature range, I considered dropping lower temperature limit from 550 K to 400 K (based on p. 4923), but it seems that experiments were performed at or around 600 K, so I will leave it at 550-650 K - -Note: after some preliminary confusion on my part, it looks like the existing groups are correct (the correct resonance form for the CH2 radical is taken into account with the Ypri_rad_out (i.e. Cpri_rad_out_H2)), but arguably, another, a more-specific group (C_rad_out_H2/OneDe and Cpri_rad_out_H2/OneDe) should be specified to account for delocalizing group at this site - ----- -483 ----- - -[187] Grimme, W.; Schumachers, L.; Roth, W.R.; Breuckmann, R. Chem. Ber. 1981, 114, 3197. - -(E)-CH2=CHCH=CHCH=CH2 --> 1,3-cyclohexadiene. - -***Reference doesn't have this reaction*** - -Absolute value measured directly. Excitation: thermal, analysis: GC. - -Checked by Greg Magoon: this reference doesn't seem to have this reaction, and even if it did, it wouldn't be biradical recombination; therefore, I have commented this entry out; there are some (polycyclic) birad recombinations and ring opening reactions in the paper, however - ---- -484 ---- - -[188] Lewis, K.E.; Steiner, H. J. Chem. Soc. 1964, 3080. - -(Z)-CH2=CHCH=CHCH=CH2 --> 1,3-cyclohexadiene. - -Absolute value measured directly. Excitation: thermal, analysis: Vis-UV. Pressure0.08-0.11 atm. - -***Should probably be removed, as this does not seem to fit with this reaction family*** -Checked by Greg Magoon: this reference does not seem to consider biradical form; as far as I can tell, they are considering "regular" 1,3,5-hexatriene (not diradical excited state) - ----- -484 ----- - -[x] Sirjean, B.; Glaude, P. A.; Ruiz-Lopez, M. F.; Fournet, R.; J. Phys. Chem. A. 2006, 110, 12693-12704. -http://dx.doi.org/10.1021/jp0651081 -.CH2CH2CH2CH2. -> cyclobutane (k2-1 in Scheme 3/Table 3) - -TST calculation - -Added by Greg Magoon: Stated pressure is 1 atm, but I believe they are actually calculating the high-pressure limit rate constant - ----- -485 ----- - -[x] Sirjean, B.; Glaude, P. A.; Ruiz-Lopez, M. F.; Fournet, R.; J. Phys. Chem. A. 2006, 110, 12693-12704. -http://dx.doi.org/10.1021/jp0651081 -.CH2CH2CH2CH2CH2. -> cyclopentane (k4-1 in Scheme 5/Table 7) - -TST calculation - -Added by Greg Magoon: Stated pressure is 1 atm, but I believe they are actually calculating the high-pressure limit rate constant - ----- -486 ----- - -[x] Sirjean, B.; Glaude, P. A.; Ruiz-Lopez, M. F.; Fournet, R.; J. Phys. Chem. A. 2006, 110, 12693-12704. -http://dx.doi.org/10.1021/jp0651081 -.CH2CH2CH2CH2CH2CH2. -> cyclohexane (k5-1+k5-2 in Scheme 7/Table 10) (includes formation of both boat and chair conformations) - -TST calculation - -Added by Greg Magoon: Stated pressure is 1 atm, but I believe they are actually calculating the high-pressure limit rate constant; the rate constant added here was found my performing least squares fit for log(ktot) from 600-2000 K (where ktot is the sum of k5-1 and k5-2) - -Note: Recent experimental/RRKM study by Kiefer, Gupte, Harding, and Klippenstein (http://www.combustion.org.uk/ECM_2009/P810069.pdf) (stated uncertainty is +/- 30%) appears to agree with Sirjean et al. results, but they only report forward rate constant \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/Birad_recombination/dictionary.txt b/output/RMG_database/kinetics_groups/Birad_recombination/dictionary.txt deleted file mode 100755 index 3cdb9f2542..0000000000 --- a/output/RMG_database/kinetics_groups/Birad_recombination/dictionary.txt +++ /dev/null @@ -1,432 +0,0 @@ -//f07 : biradical recombination to form cyclic structure - -Rn -Union {R3, R4, R5, R6} - -R3 -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,{S,D}} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,{S,D}}, {3,{S,D}} -3 *2 {Cs,Cd,CO,Os,Ss} 1 {2,{S,D}} - -R3_SS -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 *2 {Cs,Cd,CO,Os,Ss} 1 {2,S} - -R3_SD -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 Cd 0 {1,S}, {3,D} -3 *2 Cd 1 {2,D} - -R4 -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,{S,D}} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,{S,D}}, {3,{S,D}} -3 *4 {Cs,Cd,CO,Os,Ss} 0 {2,{S,D}}, {4,{S,D}} -4 *2 {Cs,Cd,CO,Os,Ss} 1 {3,{S,D}} - -R4_SSS -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 *4 {Cs,Cd,CO,Os,Ss} 0 {2,S}, {4,S} -4 *2 {Cs,Cd,CO,Os,Ss} 1 {3,S} - -R4_SSD -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 *4 Cd 0 {2,S}, {4,D} -4 *2 Cd 1 {3,D} - -R4_SDS -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 Cd 0 {1,S}, {3,D} -3 *4 Cd 0 {2,D}, {4,S} -4 *2 {Cs,Cd,CO,Os,Ss} 1 {3,S} - -R4_DSD -1 *1 Cd 1 {2,D} -2 *3 Cd 0 {1,D}, {3,S} -3 *4 Cd 0 {2,S}, {4,D} -4 *2 Cd 1 {3,D} - -R5 -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,{S,D}} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,{S,D}}, {3,{S,D}} -3 {Cs,Cd,CO,Os,Ss} 0 {2,{S,D}}, {4,{S,D}} -4 *4 {Cs,Cd,CO,Os,Ss} 0 {3,{S,D}}, {5,{S,D}} -5 *2 {Cs,Cd,CO,Os,Ss} 1 {4,{S,D}} - -R5_SSSS -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 {Cs,Cd,CO,Os,Ss} 0 {2,S}, {4,S} -4 *4 {Cs,Cd,CO,Os,Ss} 0 {3,S}, {5,S} -5 *2 {Cs,Cd,CO,Os,Ss} 1 {4,S} - -R5_SSSD -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 {Cs,Cd,CO,Os,Ss} 0 {2,S}, {4,S} -4 *4 Cd 0 {3,S}, {5,D} -5 *2 Cd 1 {4,D} - -R5_SSDS -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 *4 Cd 0 {3,D}, {5,S} -5 *2 {Cs,Cd,CO,Os,Ss} 1 {4,S} - -R5_SDSD -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 *4 Cd 0 {3,S}, {5,D} -5 *2 Cd 1 {4,D} - -R5_DSSD -1 *1 Cd 1 {2,D} -2 *3 Cd 0 {1,D}, {3,S} -3 {Cs,Cd,CO,Os,Ss} 0 {2,S}, {4,S} -4 *4 Cd 0 {3,S}, {5,D} -5 *2 Cd 1 {4,D} - -R6 -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,{S,D}} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,{S,D}}, {3,{S,D}} -3 {Cs,Cd,CO,Os,Ss} 0 {2,{S,D}}, {4,{S,D}} -4 {Cs,Cd,CO,Os,Ss} 0 {3,{S,D}}, {5,{S,D}} -5 *4 {Cs,Cd,CO,Os,Ss} 0 {4,{S,D}}, {6,{S,D}} -6 *2 {Cs,Cd,CO,Os,Ss} 1 {5,{S,D}} - -R6_SSSSS -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 {Cs,Cd,CO,Os,Ss} 0 {2,S}, {4,S} -4 {Cs,Cd,CO,Os,Ss} 0 {3,S}, {5,S} -5 *4 {Cs,Cd,CO,Os,Ss} 0 {4,S}, {6,S} -6 *2 {Cs,Cd,CO,Os,Ss} 1 {5,S} - -R6_SSSSD -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 {Cs,Cd,CO,Os,Ss} 0 {2,S}, {4,S} -4 {Cs,Cd,CO,Os,Ss} 0 {3,S}, {5,S} -5 *4 Cd 0 {4,S}, {6,D} -6 *2 Cd 1 {5,D} - -R6_SSSDS -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 {Cs,Cd,CO,Os,Ss} 0 {2,S}, {4,S} -4 Cd 0 {3,S}, {5,D} -5 *4 Cd 0 {4,D}, {6,S} -6 *2 {Cs,Cd,CO,Os,Ss} 1 {5,S} - -R6_SSDSS -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 *4 {Cs,Cd,CO,Os,Ss} 0 {4,S}, {6,S} -6 *2 {Cs,Cd,CO,Os,Ss} 1 {5,S} - -R6_SSDSD -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 *4 Cd 0 {4,S}, {6,D} -6 *2 Cd 1 {5,D} - -R6_SDSDS -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 Cd 0 {3,S}, {5,D} -5 *4 Cd 0 {4,D}, {6,S} -6 *2 {Cs,Cd,CO,Os,Ss} 1 {5,S} - -R6_SDSSD -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 {Cs,Cd,CO,Os,Ss} 0 {3,S}, {5,S} -5 *4 Cd 0 {4,S}, {6,D} -6 *2 Cd 1 {5,D} - -R6_DSSSD -1 *1 Cd 1 {2,D} -2 *3 Cd 0 {1,D}, {3,S} -3 {Cs,Cd,CO,Os,Ss} 0 {2,S}, {4,S} -4 {Cs,Cd,CO,Os,Ss} 0 {3,S}, {5,S} -5 *4 Cd 0 {4,S}, {6,D} -6 *2 Cd 1 {5,D} - -R6_DSDSD -1 *1 Cd 1 {2,D} -2 *3 Cd 0 {1,D}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 *4 Cd 0 {4,S}, {6,D} -6 *2 Cd 1 {5,D} - -Y_rad_out -1 *1 {R!H} 1 - -C_rad_out_single -1 *1 C 1 {2,S}, {3,S} -2 R 0 {1,S} -3 R 0 {1,S} - -C_rad_out_2H -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -C_rad_out_1H -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 {R!H} 0 {1,S} - -C_rad_out_H/NonDeC -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 Cs 0 {1,S} - -C_rad_out_H/NonDeO -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 O 0 {1,S} - -C_rad_out_H/NonDeS -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 S 0 {1,S} - -C_rad_out_H/OneDe -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -C_rad_out_noH -1 *1 C 1 {2,S}, {3,S} -2 {R!H} 0 {1,S} -3 {R!H} 0 {1,S} - -C_rad_out_NonDe -1 *1 C 1 {2,S}, {3,S} -2 {Cs,Os,Ss} 0 {1,S} -3 {Cs,Os,Ss} 0 {1,S} - -C_rad_out_Cs2 -1 *1 C 1 {2,S}, {3,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} - -C_rad_out_NDMustO -1 *1 C 1 {2,S}, {3,S} -2 Os 0 {1,S} -3 {Cs,Os} 0 {1,S} - -C_rad_out_NDMustS -1 *1 C 1 {2,S}, {3,S} -2 Ss 0 {1,S} -3 {Cs,Ss} 0 {1,S} - -C_rad_out_OneDe -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cs,Os,Ss} 0 {1,S} - -C_rad_out_OneDe/Cs -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} - -C_rad_out_OneDe/O -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 O 0 {1,S} - -C_rad_out_OneDe/S -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 S 0 {1,S} - -C_rad_out_TwoDe -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_rad_out -1 *1 C 1 {2,D} -2 {C,O,S} 0 {1,D} - -Cd_rad_out_C -1 *1 C 1 {2,D} -2 C 0 {1,D} - -Cd_rad_out_O -1 *1 C 1 {2,D} -2 O 0 {1,D} - -Cd_rad_out_S -1 *1 C 1 {2,D} -2 S 0 {1,D} - -Cdsingle_rad_out -1 *1 Cd 1 {2,S} -2 R 0 {1,S} - -CdsingleH_rad_out -1 *1 Cd 1 {2,S} -2 H 0 {1,S} - -CdsingleND_rad_out -1 *1 Cd 1 {2,S} -2 {Cs,Os,Ss} 0 {1,S} - -CdsingleDe_rad_out -1 *1 Cd 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -O_rad -1 *1 Os 1 - -S_rad -1 *1 Ss 1 - -Ypri_rad_out -1 *2 {R!H} 1 - -Cpri_rad_out_single -1 *2 C 1 {2,S}, {3,S} -2 R 0 {1,S} -3 R 0 {1,S} - -Cpri_rad_out_2H -1 *2 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -Cpri_rad_out_1H -1 *2 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 {R!H} 0 {1,S} - -Cpri_rad_out_H/NonDeC -1 *2 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 Cs 0 {1,S} - -Cpri_rad_out_H/NonDeO -1 *2 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 Os 0 {1,S} - -Cpri_rad_out_H/NonDeS -1 *2 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 Ss 0 {1,S} - -Cpri_rad_out_H/OneDe -1 *2 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Cpri_rad_out_noH -1 *2 C 1 {2,S}, {3,S} -2 {R!H} 0 {1,S} -3 {R!H} 0 {1,S} - -Cpri_rad_out_NonDe -1 *2 C 1 {2,S}, {3,S} -2 {Cs,Os,Ss} 0 {1,S} -3 {Cs,Os,Ss} 0 {1,S} - -Cpri_rad_out_Cs2 -1 *2 C 1 {2,S}, {3,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} - -Cpri_rad_out_NDMustO -1 *2 C 1 {2,S}, {3,S} -2 O 0 {1,S} -3 {Cs,Os} 0 {1,S} - -Cpri_rad_out_NDMustS -1 *2 C 1 {2,S}, {3,S} -2 S 0 {1,S} -3 {Cs,Ss} 0 {1,S} - -Cpri_rad_out_OneDe -1 *2 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cs,Os,Ss} 0 {1,S} - -Cpri_rad_out_OneDe/Cs -1 *2 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} - -Cpri_rad_out_OneDe/O -1 *2 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} - - -Cpri_rad_out_OneDe/S -1 *2 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} - -Cpri_rad_out_TwoDe -1 *2 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Cdpri_rad_out -1 *2 C 1 {2,D} -2 {C,O,S} 0 {1,D} - -Cdpri_rad_out_C -1 *2 C 1 {2,D} -2 C 0 {1,D} - -Cdpri_rad_out_O -1 *2 C 1 {2,D} -2 O 0 {1,D} - -Cdpri_rad_out_S -1 *2 C 1 {2,D} -2 S 0 {1,D} - -Cdsinglepri_rad_out -1 *2 Cd 1 {2,S} -2 R 0 {1,S} - -CdsinglepriH_rad_out -1 *2 Cd 1 {2,S} -2 H 0 {1,S} - -CdsinglepriND_rad_out -1 *2 Cd 1 {2,S} -2 {Cs,Os,Ss} 0 {1,S} - -CdsinglepriDe_rad_out -1 *2 Cd 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -Opri_rad -1 *2 Os 1 - -Spri_rad -1 *2 Ss 1 - - - - - - - - diff --git a/output/RMG_database/kinetics_groups/Birad_recombination/forbiddenGroups.txt b/output/RMG_database/kinetics_groups/Birad_recombination/forbiddenGroups.txt deleted file mode 100755 index 81d98dfdae..0000000000 --- a/output/RMG_database/kinetics_groups/Birad_recombination/forbiddenGroups.txt +++ /dev/null @@ -1,11 +0,0 @@ -RR_s -1 *1 R!H 1 {2,S} -2 *2 R!H 1 {1,S} - -RR_d -1 *1 R!H 1 {2,D} -2 *2 R!H 1 {1,D} - -RR_t -1 *1 R!H 1 {2,T} -2 *2 R!H 1 {1,T} \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/Birad_recombination/rateLibrary.txt b/output/RMG_database/kinetics_groups/Birad_recombination/rateLibrary.txt deleted file mode 100755 index e2158b138e..0000000000 --- a/output/RMG_database/kinetics_groups/Birad_recombination/rateLibrary.txt +++ /dev/null @@ -1,27 +0,0 @@ -// rate library for f07: biradical recombination to form cycle - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// f07_biradical_recombination_to_form_cycle -// from rate_library_4.txt, Cath, 03/07/28 - -// Catherina Wijaya Thesis, pg 157. - -// [185] Roth, W.R.; Scholz, B.P.; Breuckmann, R.; Jelich, K.; Lennartz, H-W. Chem. Ber. 1982, 115, 1934. -// [186] Benson, S.W. J. Chem. Phys. 1967, 46, 4920. -// [187] Grimme, W.; Schumachers, L.; Roth, W.R.; Breuckmann, R. Chem. Ber. 1981, 114, 3197. -// [188] Lewis, K.E.; Steiner, H. J. Chem. Soc. 1964, 3080. -// [x] Sirjean, B.; Glaude, P. A.; Ruiz-Lopez, M. F.; Fournet, R.; J. Phys. Chem. A. 2006, 110, 12693-12704. - -//No. Rn Y_rad_out Ypri_rad_out Temp. A n a E0 DA Dn Da DE0 Rank Comments -480 Rn Y_rad_out Ypri_rad_out 300-1500 5E+11 0 0 30 0 0 0 0 0 Default -//481. R4_SDS C_rad_out_2H Cpri_rad_out_2H 495-549 2.5E+11 0 0 35.7 1.3E+11 0 0 0.5 5 [185] Roth et al. -482 R6_SSSDS C_rad_out_H/OneDe Cpri_rad_out_2H 550-650 2.0E+12 0 0 1.80 0 0 0 1.0 4 [186] Benson et al. -//483. R6_SDSDS C_rad_out_2H Cpri_rad_out_2H 555-606 2.77E+13 0 0 45.51 *1.2 0 0 0 3 [187] Grimme et al. -//484. R6_SDSDS C_rad_out_2H Cpri_rad_out_2H 390-463 7.14E+11 0 0 29.01 *3.7 0 0 0.58 3 [188] Lewis et al. -485 R4_SSS C_rad_out_2H Cpri_rad_out_2H 600-2000 1.62E+12 -0.305 0 1.98 0 0 0 0 3 [x] Sirjean et al. -486 R5_SSSS C_rad_out_2H Cpri_rad_out_2H 600-2000 7.76E+9 0.311 0 1.7 0 0 0 0 3 [x] Sirjean et al. -487 R6_SSSSS C_rad_out_2H Cpri_rad_out_2H 600-2000 3.21E+10 0.137 0 2.12 0 0 0 0 3 [x] Sirjean et al. -// Aaron Vandeputte S-S recombination, scission pre-exp equal to the one for S-S scission -488 R3_SS S_rad Spri_rad 300-1500 2.18E+16 0 0 0.7 0 0 0 0 4 A.G. Vandeputte diff --git a/output/RMG_database/kinetics_groups/Birad_recombination/reactionAdjList.txt b/output/RMG_database/kinetics_groups/Birad_recombination/reactionAdjList.txt deleted file mode 100755 index 4633b49e0f..0000000000 --- a/output/RMG_database/kinetics_groups/Birad_recombination/reactionAdjList.txt +++ /dev/null @@ -1,20 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 29, 2003 // -// // -////////////////////////////////////////////////////// - - -// f07 Biradical Recombination to form cycle -Rn -> Rncycle - -forward -reverse: Ring_Open - -Actions 1 -(1) FORM_BOND {*1,S,*2} -(2) LOSE_RADICAL {*1,1} -(3) LOSE_RADICAL {*2,1} - diff --git a/output/RMG_database/kinetics_groups/Birad_recombination/tree.txt b/output/RMG_database/kinetics_groups/Birad_recombination/tree.txt deleted file mode 100755 index 426fe865c2..0000000000 --- a/output/RMG_database/kinetics_groups/Birad_recombination/tree.txt +++ /dev/null @@ -1,88 +0,0 @@ -//f07 : biradical recombination to form cyclic structure -//f07_biradical_recombination_to_form_cyclic_structure -// JS, correct typo, L3 : R6 into L2 : R6 -L1: Rn - L2: R3 - L3: R3_SS - L3: R3_SD - L2: R4 - L3: R4_SSS - L3: R4_SSD - L3: R4_SDS - L3: R4_DSD - L2: R5 - L3: R5_SSSS - L3: R5_SSSD - L3: R5_SSDS - L3: R5_SDSD - L3: R5_DSSD - L2: R6 - L3: R6_SSSSS - L3: R6_SSSSD - L3: R6_SSSDS - L3: R6_SSDSS - L3: R6_SSDSD - L3: R6_SDSDS - L3: R6_SDSSD - L3: R6_DSSSD - L3: R6_DSDSD -L1: Y_rad_out - L2: C_rad_out_single - L3: C_rad_out_2H - L3: C_rad_out_1H - L4: C_rad_out_H/NonDeC - L4: C_rad_out_H/NonDeO - L4: C_rad_out_H/NonDeS - L4: C_rad_out_H/OneDe - L3: C_rad_out_noH - L4: C_rad_out_NonDe - L5: C_rad_out_Cs2 - L5: C_rad_out_NDMustO - L5: C_rad_out_NDMustS - L4: C_rad_out_OneDe - L5: C_rad_out_OneDe/Cs - L5: C_rad_out_OneDe/O - L5: C_rad_out_OneDe/S - L4: C_rad_out_TwoDe - L2: Cd_rad_out - L3: Cd_rad_out_C - L3: Cd_rad_out_O - L3: Cd_rad_out_S - L2: Cdsingle_rad_out - L3: CdsingleH_rad_out - L3: CdsingleND_rad_out - L3: CdsingleDe_rad_out - L2: O_rad - L2: S_rad -L1: Ypri_rad_out - L2: Cpri_rad_out_single - L3: Cpri_rad_out_2H - L3: Cpri_rad_out_1H - L4: Cpri_rad_out_H/NonDeC - L4: Cpri_rad_out_H/NonDeO - L4: Cpri_rad_out_H/NonDeS - L4: Cpri_rad_out_H/OneDe - L3: Cpri_rad_out_noH - L4: Cpri_rad_out_NonDe - L5: Cpri_rad_out_Cs2 - L5: Cpri_rad_out_NDMustO - L5: Cpri_rad_out_NDMustS - L4: Cpri_rad_out_OneDe - L5: Cpri_rad_out_OneDe/Cs - L5: Cpri_rad_out_OneDe/O - L5: Cpri_rad_out_OneDe/S - L4: Cpri_rad_out_TwoDe - L2: Cdpri_rad_out - L3: Cdpri_rad_out_C - L3: Cdpri_rad_out_O - L3: Cdpri_rad_out_S - L2: Cdsinglepri_rad_out - L3: CdsinglepriH_rad_out - L3: CdsinglepriND_rad_out - L3: CdsinglepriDe_rad_out - L2: Opri_rad - L2: Spri_rad - - - - \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/Cyclic_Ether_Formation/comments.rst b/output/RMG_database/kinetics_groups/Cyclic_Ether_Formation/comments.rst deleted file mode 100644 index e69de29bb2..0000000000 diff --git a/output/RMG_database/kinetics_groups/Cyclic_Ether_Formation/dictionary.txt b/output/RMG_database/kinetics_groups/Cyclic_Ether_Formation/dictionary.txt deleted file mode 100755 index 829db3407e..0000000000 --- a/output/RMG_database/kinetics_groups/Cyclic_Ether_Formation/dictionary.txt +++ /dev/null @@ -1,639 +0,0 @@ -// C.D.W., S.R., J.S. (1/17/03) -// cyclic ether formation from QOOR -// QOOR --> QO + OR -// SR and JS, get rid of R3OOH_DD -// SR and JS, give more specific description of C at *1 and {R!H} in the middle to remove the ambiguity on Cdd -// JS, fix error in R5OOH, change from "5 {Cd,Cs,CO} 0 {4,S}, {6,S}" to "5 {Cd,Cs,CO} 0 {4,{S,D}}, {6,S}" -// SSM added new definitation R2OOH_SCO,R3OOH_SSCO,R4OOH_SSSCO,R5OOH_SSSSCO as rates when CO is present on peroxyl group maybe different -// SSM modified definiation of R2OOH, R3OOH,R4OOH and R5OOH so that lactones can be formed -// AJ added new definitions to generalize the reaction family to QOOR=QO+OR -// AG Vandeputte, redefined tree to also account for QOOJ -> QO + OJJ - -RnOO -Union {R2OO, R3OO, R4OO, R5OO} - -R2OO -Union {R2OOH, R2OOR, R2OOJ} - -R2OOH -1 *1 {CO,Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {CO,Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,S} -3 *2 O 0 {2,S}, {4,S} -4 *3 O 0 {3,S}, {5,S} -5 H 0 {4,S} - -R2OOH_S -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 *2 O 0 {2,S}, {4,S} -4 *3 O 0 {3,S}, {5,S} -5 H 0 {4,S} - -// The rates when CO is present on peroxyl group is quite different therefore a separate group is defined -R2OOH_SCO -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {CO} 0 {1,S}, {3,S} -3 *2 O 0 {2,S}, {4,S} -4 *3 O 0 {3,S}, {5,S} -5 H 0 {4,S} - -R2OOH_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *2 O 0 {2,S}, {4,S} -4 *3 O 0 {3,S}, {5,S} -5 H 0 {4,S} - -R2OOJ -1 *1 {CO,Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {CO,Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,S} -3 *2 O 0 {2,S}, {4,S} -4 *3 O 1 {3,S} - -R2OOJ_S -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 *2 O 0 {2,S}, {4,S} -4 *3 O 1 {3,S} - -R3OO -Union {R3OOH, R3OOR, R3OOJ} - -R3OOH -1 *1 {CO,Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {CO,Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,{S,D}} -3 {CO,Cd,Cs,Sid,Sis} 0 {2,{S,D}}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6 H 0 {5,S} - -R3OOH_SS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {Cd,Cs,CO} 0 {2,S}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6 H 0 {5,S} - -R3OOH_SSCO -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {CO} 0 {2,S}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6 H 0 {5,S} - -R3OOH_SD -1 *1 {Cd,Cs} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6 H 0 {5,S} - -R3OOH_DS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {Cd,Cs,CO} 0 {2,S}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6 H 0 {5,S} - -R3OOJ -1 *1 {CO,Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {CO,Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,{S,D}} -3 {CO,Cd,Cs,Sid,Sis} 0 {2,{S,D}}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 1 {4,S} - -R4OO -Union {R4OOH, R4OOR, R4OOJ} - -R4OOH -1 *1 {CO,Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {CO,Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,{S,D}} -3 {CO,Cd,Cs,Sid,Sis} 0 {2,{S,D}}, {4,{S,D}} -4 {CO,Cd,Cs,Sid,Sis} 0 {3,{S,D}}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_SSS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {Cd,Cs,CO} 0 {2,S}, {4,S} -4 {Cd,Cs,CO} 0 {3,S}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_SSSCO -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {Cd,Cs} 0 {2,S}, {4,S} -4 {CO} 0 {3,S}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_SSD -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_SDS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 {Cd,Cs,CO} 0 {3,S}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_DSS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {Cd,Cs,CO} 0 {2,S}, {4,S} -4 {Cd,Cs,CO} 0 {3,S}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_DSD -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOJ -1 *1 {CO,Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {CO,Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,{S,D}} -3 {CO,Cd,Cs,Sid,Sis} 0 {2,{S,D}}, {4,{S,D}} -4 {CO,Cd,Cs,Sid,Sis} 0 {3,{S,D}}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 1 {5,S} - -R5OO -Union {R5OOH, R5OOR, R5OOJ} - -R5OOH -1 *1 {CO,Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {CO,Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,{S,D}} -3 {CO,Cd,Cs,Sid,Sis} 0 {2,{S,D}}, {4,{S,D}} -4 {CO,Cd,Cs,Sid,Sis} 0 {3,{S,D}}, {5,{S,D}} -5 {CO,Cd,Cs,Sid,Sis} 0 {4,{S,D}}, {6,S} -6. *2 O 0 {5,S}, {7,S} -7. *3 O 0 {6,S}, {8,S} -8. H 0 {7,S} - -R5OOH_SSSS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {Cd,Cs,CO} 0 {2,S}, {4,S} -4 {Cd,Cs,CO} 0 {3,S}, {5,S} -5 {Cd,Cs,CO} 0 {4,S}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 H 0 {7,S} - -// The rates when CO is present on peroxyl group is quite different therefore a separate group is defined -R5OOH_SSSSCO -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {Cd,Cs} 0 {2,S}, {4,S} -4 {Cd,Cs} 0 {3,S}, {5,S} -5 {CO} 0 {4,S}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 H 0 {7,S} - -R5OOH_SSSD -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {Cd,Cs,CO} 0 {2,S}, {4,S} -4 Cd 0 {3,S}, {5,D} -5 Cd 0 {4,D}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 H 0 {7,S} - -R5OOH_SSDS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 {Cd,Cs,CO} 0 {4,S}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 H 0 {7,S} - -R5OOH_SDSS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 {Cd,Cs,CO} 0 {3,S}, {5,S} -5 {Cd,Cs,CO} 0 {4,S}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 H 0 {7,S} - -R5OOH_DSSS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {Cd,Cs,CO} 0 {2,S}, {4,S} -4 {Cd,Cs,CO} 0 {3,S}, {5,S} -5 {Cd,Cs,CO} 0 {4,S}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 H 0 {7,S} - -R5OOH_SDSD -1 *1 {Cd,Cs} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 Cd 0 {3,S}, {5,D} -5 Cd 0 {4,D}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 H 0 {7,S} - -R5OOH_DSDS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 Cd 0 {4,S}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 H 0 {7,S} - -R5OOJ -1 *1 {CO,Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {CO,Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,{S,D}} -3 {CO,Cd,Cs,Sid,Sis} 0 {2,{S,D}}, {4,{S,D}} -4 {CO,Cd,Cs,Sid,Sis} 0 {3,{S,D}}, {5,{S,D}} -5 {CO,Cd,Cs,Sid,Sis} 0 {4,{S,D}}, {6,S} -6. *2 O 0 {5,S}, {7,S} -7. *3 O 1 {6,S} - -//RnOOR definitions added by Amrit Jalan -R2OOR -1 *1 {CO,Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {CO,Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,S} -3 *2 O 0 {2,S}, {4,S} -4 *3 O 0 {3,S}, {5,S} -5 R!H 0 {4,S} - -// Defined for the special case of C2H3+O2 -> C(=C)O[O] -> C1([CH2])OO1 -> C1C(O1)[O]. -//However, this family expects 2 products and I could not get this sequence to be identified. -// R2OOR_cyclic -// 1 *1 C 1 {2,S} -// 2 *4 C 0 {1,S}, {3,S}, {4,S} -// 3 *2 O 0 {2,S}, {4,S} -// 4 *3 O 0 {3,S}, {2,S} - -R2OOR_S -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 *2 O 0 {2,S}, {4,S} -4 *3 O 0 {3,S}, {5,S} -5 R!H 0 {4,S} - -// The rates when CO is present on peroxyl group is quite different therefore a separate group is defined -R2OOR_SCO -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {CO} 0 {1,S}, {3,S} -3 *2 O 0 {2,S}, {4,S} -4 *3 O 0 {3,S}, {5,S} -5 R!H 0 {4,S} - -R2OOR_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *2 O 0 {2,S}, {4,S} -4 *3 O 0 {3,S}, {5,S} -5 R!H 0 {4,S} - -R3OOR -1 *1 {CO,Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {CO,Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,{S,D}} -3 {CO,Cd,Cs,Sid,Sis} 0 {2,{S,D}}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6 R!H 0 {5,S} - -R3OOR_SS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {Cd,Cs,CO} 0 {2,S}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6 R!H 0 {5,S} - -R3OOR_SSCO -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {CO} 0 {2,S}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6 R!H 0 {5,S} - -R3OOR_SD -1 *1 {Cd,Cs} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6 R!H 0 {5,S} - -R3OOR_DS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {Cd,Cs,CO} 0 {2,S}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6 R!H 0 {5,S} - -R4OOR -1 *1 {CO,Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {CO,Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,{S,D}} -3 {CO,Cd,Cs,Sid,Sis} 0 {2,{S,D}}, {4,{S,D}} -4 {CO,Cd,Cs,Sid,Sis} 0 {3,{S,D}}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 R!H 0 {6,S} - -R4OOR_SSS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {Cd,Cs,CO} 0 {2,S}, {4,S} -4 {Cd,Cs,CO} 0 {3,S}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 R!H 0 {6,S} - -R4OOR_SSSCO -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {Cd,Cs} 0 {2,S}, {4,S} -4 {CO} 0 {3,S}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 R!H 0 {6,S} - -R4OOR_SSD -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 R!H 0 {6,S} - -R4OOR_SDS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 {Cd,Cs,CO} 0 {3,S}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 R!H 0 {6,S} - -R4OOR_DSS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {Cd,Cs,CO} 0 {2,S}, {4,S} -4 {Cd,Cs,CO} 0 {3,S}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 R!H 0 {6,S} - -R4OOR_DSD -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 R!H 0 {6,S} - -R5OOR -1 *1 {CO,Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {CO,Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,{S,D}} -3 {CO,Cd,Cs,Sid,Sis} 0 {2,{S,D}}, {4,{S,D}} -4 {CO,Cd,Cs,Sid,Sis} 0 {3,{S,D}}, {5,{S,D}} -5 {CO,Cd,Cs,Sid,Sis} 0 {4,{S,D}}, {6,S} -6. *2 O 0 {5,S}, {7,S} -7. *3 O 0 {6,S}, {8,S} -8. R!H 0 {7,S} - -R5OOR_SSSS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {Cd,Cs,CO} 0 {2,S}, {4,S} -4 {Cd,Cs,CO} 0 {3,S}, {5,S} -5 {Cd,Cs,CO} 0 {4,S}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 R!H 0 {7,S} - -// The rates when CO is present on peroxyl group is quite different therefore a separate group is defined -R5OOR_SSSSCO -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {Cd,Cs} 0 {2,S}, {4,S} -4 {Cd,Cs} 0 {3,S}, {5,S} -5 {CO} 0 {4,S}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 R!H 0 {7,S} - -R5OOR_SSSD -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {Cd,Cs,CO} 0 {2,S}, {4,S} -4 Cd 0 {3,S}, {5,D} -5 Cd 0 {4,D}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 R!H 0 {7,S} - -R5OOR_SSDS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 {Cd,Cs,CO} 0 {4,S}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 R!H 0 {7,S} - -R5OOR_SDSS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 {Cd,Cs,CO} 0 {3,S}, {5,S} -5 {Cd,Cs,CO} 0 {4,S}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 R!H 0 {7,S} - -R5OOR_DSSS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {Cd,Cs,CO} 0 {2,S}, {4,S} -4 {Cd,Cs,CO} 0 {3,S}, {5,S} -5 {Cd,Cs,CO} 0 {4,S}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 R!H 0 {7,S} - -R5OOR_SDSD -1 *1 {Cd,Cs} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 Cd 0 {3,S}, {5,D} -5 Cd 0 {4,D}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 R!H 0 {7,S} - -R5OOR_DSDS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 Cd 0 {4,S}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 R!H 0 {7,S} - -Y_rad_intra -1 *1 R 1 - -Cs_rad_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 *4 C 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -C_pri_rad_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 *4 C 0 {1,S} - -C_sec_rad_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 *4 C 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H/NonDeC_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 *4 C 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/NonDeO_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 *4 C 0 {1,S} -4 O 0 {1,S} - -C_rad/H/OneDe_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 *4 C 0 {1,S} - -C_ter_rad_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 *4 C 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/NonDeC_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 *4 C 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/Cs3_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 *4 C 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/NDMustO_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 *4 C 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/OneDe_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 *4 C 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/Cs2_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 *4 C 0 {1,S} -4 Cs 0 {1,S} - -C_rad/ODMustO_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 *4 C 0 {1,S} -4 O 0 {1,S} - -C_rad/TwoDe_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 *4 C 0 {1,S} - -Cd_rad_in -1 *1 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 R 0 {1,S} - -Cd_pri_rad_in -1 *1 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 H 0 {1,S} - -Cd_sec_rad_in -1 *1 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 {R!H} 0 {1,S} - -Cd_rad_in/NonDeC -1 *1 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Cs 0 {1,S} - -Cd_rad_in/NonDeO -1 *1 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 O 0 {1,S} - -Cd_rad_in/OneDe -1 *1 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_rad_out -1 *1 C 1 {2,S}, {3,D} -2 *4 C 0 {1,S} -3 Cd 0 {1,D} - diff --git a/output/RMG_database/kinetics_groups/Cyclic_Ether_Formation/rateLibrary.txt b/output/RMG_database/kinetics_groups/Cyclic_Ether_Formation/rateLibrary.txt deleted file mode 100755 index 55960cff27..0000000000 --- a/output/RMG_database/kinetics_groups/Cyclic_Ether_Formation/rateLibrary.txt +++ /dev/null @@ -1,57 +0,0 @@ -// rate library for f31: cyclic ether formation reaction -// original from rate_library_4.txt, Cath, 03/07/28 - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -//f31_intermolecular_HA - -// Catherina Wijaya Thesis, pg 159. - -812. RnOO Y_rad_intra 300-1500 1E+11 0 0 10 0 0 0 0 0 - -//No. RnOOH Y_rad_intra Temp. A n a E0 A Dn Da DE0 Rank Comments -813. R2OOH_S C_pri_rad_intra 300-1500 3.98E+12 0 1.3 37.0 *1.20 0 0.3 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -814. R2OOH_S C_sec_rad_intra 300-1500 1.38E+12 0 1.3 37.0 *1.20 0 0.3 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -815. R2OOH_S C_ter_rad_intra 300-1500 3.09E+12 0 1.3 37.0 *1.20 0 0.3 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -816. R3OOH_SS C_pri_rad_intra 300-1500 4.47E+11 0 1.0 38.2 *1.74 0 0.1 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -817. R3OOH_SS C_sec_rad_intra 300-1500 2.04E+11 0 1.0 38.2 *1.74 0 0.1 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -818. R3OOH_SS C_ter_rad_intra 300-1500 3.31E+11 0 1.0 38.2 *1.74 0 0.1 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -819. R4OOH_SSS C_pri_rad_intra 300-1500 5.13E+10 0 0 14.8 *1.41 0 0 2.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -820. R4OOH_SSS C_sec_rad_intra 300-1500 3.63E+10 0 0 13.0 *1.41 0 0 2.5 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -821. R4OOH_SSS C_ter_rad_intra 300-1500 2.57E+10 0 0 11.5 *1.41 0 0 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -822. R2OOH_S Cs_rad_intra 300-1500 6.00E+11 0 0 22.000 0 0 0 0 5 Curran's [8] estimation in reaction type 19, QOOH = cyclic ether + OH -823. R3OOH_SS Cs_rad_intra 300-1500 7.50E+10 0 0 15.250 0 0 0 0 5 Curran's [8] estimation in reaction type 19, QOOH = cyclic ether + OH -824. R4OOH_SSS Cs_rad_intra 300-1500 9.38E+09 0 0 7.000 0 0 0 0 5 Curran's [8] estimation in reaction type 19, QOOH = cyclic ether + OH -825. R5OOH_SSSS Cs_rad_intra 300-1500 1.17E+09 0 0 1.800 0 0 0 0 5 Curran's [8] estimation in reaction type 19, QOOH = cyclic ether + OH -826. R5OOH_SSSSCO Cs_rad_intra 300-1500 1.27E+08 0.77 0 18.73 0 0 0 0 5 CBS-QB3 Including treatment of hindered rotor (SSM) -827. R2OOH_SCO Cs_rad_intra 300-1500 6.92E+15 -0.53 0 24.34 0 0 0 0 5 CBS-QB3 Including treatment for hindered rotor, QTST Calculation (CFG & JWA) -828. R4OOH_SSSCO Cs_rad_intra 300-1500 1.27E+08 0.77 0 18.73 0 0 0 0 0 Estimate (Same as 5 memebered ring) -829. R3OOH_SSCO Cs_rad_intra 300-1500 1.27E+08 0.77 0 18.73 0 0 0 0 0 Estimate (Same as 5 memebered ring) - -// Added by Amrit Jalan for RnOOR -> RO + OR. Kinetics assumed to be same as RnOOH with the same index number. -813. R2OOR_S C_pri_rad_intra 300-1500 3.98E+12 0 1.3 37.0 *1.20 0 0.3 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -814. R2OOR_S C_sec_rad_intra 300-1500 1.38E+12 0 1.3 37.0 *1.20 0 0.3 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -815. R2OOR_S C_ter_rad_intra 300-1500 3.09E+12 0 1.3 37.0 *1.20 0 0.3 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -816. R3OOR_SS C_pri_rad_intra 300-1500 4.47E+11 0 1.0 38.2 *1.74 0 0.1 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -817. R3OOR_SS C_sec_rad_intra 300-1500 2.04E+11 0 1.0 38.2 *1.74 0 0.1 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -818. R3OOR_SS C_ter_rad_intra 300-1500 3.31E+11 0 1.0 38.2 *1.74 0 0.1 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -819. R4OOR_SSS C_pri_rad_intra 300-1500 5.13E+10 0 0 14.8 *1.41 0 0 2.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -820. R4OOR_SSS C_sec_rad_intra 300-1500 3.63E+10 0 0 13.0 *1.41 0 0 2.5 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -821. R4OOR_SSS C_ter_rad_intra 300-1500 2.57E+10 0 0 11.5 *1.41 0 0 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -822. R2OOR_S Cs_rad_intra 300-1500 6.00E+11 0 0 22.000 0 0 0 0 5 Curran's [8] estimation in reaction type 19, QOOH = cyclic ether + OH -823. R3OOR_SS Cs_rad_intra 300-1500 7.50E+10 0 0 15.250 0 0 0 0 5 Curran's [8] estimation in reaction type 19, QOOH = cyclic ether + OH -824. R4OOR_SSS Cs_rad_intra 300-1500 9.38E+09 0 0 7.000 0 0 0 0 5 Curran's [8] estimation in reaction type 19, QOOH = cyclic ether + OH -825. R5OOR_SSSS Cs_rad_intra 300-1500 1.17E+09 0 0 1.800 0 0 0 0 5 Curran's [8] estimation in reaction type 19, QOOH = cyclic ether + OH -826. R5OOR_SSSSCO Cs_rad_intra 300-1500 1.27E+08 0.77 0 18.73 0 0 0 0 5 CBS-QB3 Including treatment of hindered rotor (SSM) -827. R2OOR_SCO Cs_rad_intra 300-1500 6.92E+15 -0.53 0 24.34 0 0 0 0 5 CBS-QB3 Including treatment for hindered rotor, QTST Calculation (CFG & JWA) -828. R4OOR_SSSCO Cs_rad_intra 300-1500 1.27E+08 0.77 0 18.73 0 0 0 0 0 Estimate (Same as 5 memebered ring) -829. R3OOR_SSCO Cs_rad_intra 300-1500 1.27E+08 0.77 0 18.73 0 0 0 0 0 Estimate (Same as 5 memebered ring) - -// Added by AG Vandeputte -830. R2OOJ_S C_pri_rad_intra 300-1500 1.62E+09 1.10 0 31.9 0 0 0 0 5 AG Vandeputte, BMK/cbsb7 -831. R2OOJ_S C_pri_rad_intra 300-1500 1.61E+09 1.09 0 29.9 0 0 0 0 5 AG Vandeputte, BMK/cbsb7 -832. R2OOJ_S C_rad/H/NonDeC_intra 300-1500 3.27E+09 1.06 0 31.0 0 0 0 0 5 AG Vandeputte, BMK/cbsb7 - - - diff --git a/output/RMG_database/kinetics_groups/Cyclic_Ether_Formation/reactionAdjList.txt b/output/RMG_database/kinetics_groups/Cyclic_Ether_Formation/reactionAdjList.txt deleted file mode 100755 index f7f6841d04..0000000000 --- a/output/RMG_database/kinetics_groups/Cyclic_Ether_Formation/reactionAdjList.txt +++ /dev/null @@ -1,22 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Nov. 18, 2002 // -// // -////////////////////////////////////////////////////// - - -// f31 Cyclic Ether Formation - -RnOO -> RO + OR - -forward -reverse(f32): OH+CyclicEther_Form_Alkyl-hydroperoxyl - -Actions 1 -(1) BREAK_BOND {*2,S,*3} -(2) FORM_BOND {*1,S,*2} -(3) GAIN_RADICAL {*3,1} -(4) LOSE_RADICAL {*1,1} - diff --git a/output/RMG_database/kinetics_groups/Cyclic_Ether_Formation/tree.txt b/output/RMG_database/kinetics_groups/Cyclic_Ether_Formation/tree.txt deleted file mode 100755 index 02f373b03b..0000000000 --- a/output/RMG_database/kinetics_groups/Cyclic_Ether_Formation/tree.txt +++ /dev/null @@ -1,92 +0,0 @@ -//C.D.W., S.R., J.S. (1/17/03) -//cyclic ether formation from QOOR -//QOOR --> QO + OR - -//f31_cyclic_ether_form - -L1: RnOO - L2: R2OO - L3: R2OOH - L4: R2OOH_S - L4: R2OOH_SCO - L4: R2OOH_D - L3: R2OOR - L4: R2OOR_S - L4: R2OOR_SCO - L4: R2OOR_D - L3: R2OOJ - L4: R2OOJ_S - L2: R3OO - L3: R3OOH - L4: R3OOH_SS - L4: R3OOH_SSCO - L4: R3OOH_SD - L4: R3OOH_DS - L3: R3OOR - L4: R3OOR_SS - L4: R3OOR_SSCO - L4: R3OOR_SD - L4: R3OOR_DS - L3: R3OOJ - L2: R4OO - L3: R4OOH - L4: R4OOH_SSS - L4: R4OOH_SSSCO - L4: R4OOH_SSD - L4: R4OOH_SDS - L4: R4OOH_DSS - L4: R4OOH_DSD - L3: R4OOR - L4: R4OOR_SSS - L4: R4OOR_SSSCO - L4: R4OOR_SSD - L4: R4OOR_SDS - L4: R4OOR_DSS - L4: R4OOR_DSD - L3: R4OOJ - L2: R5OO - L3: R5OOH - L4: R5OOH_SSSS - L4: R5OOH_SSSSCO - L4: R5OOH_SSSD - L4: R5OOH_SSDS - L4: R5OOH_SDSS - L4: R5OOH_DSSS - L4: R5OOH_SDSD - L4: R5OOH_DSDS - L3: R5OOR - L4: R5OOR_SSSS - L4: R5OOR_SSSSCO - L4: R5OOR_SSSD - L4: R5OOR_SSDS - L4: R5OOR_SDSS - L4: R5OOR_DSSS - L4: R5OOR_SDSD - L4: R5OOR_DSDS - L3: R5OOJ - -L1: Y_rad_intra - L2: Cs_rad_intra - L3: C_pri_rad_intra - L3: C_sec_rad_intra - L4: C_rad/H/NonDeC_intra - L4: C_rad/H/NonDeO_intra - L4: C_rad/H/OneDe_intra - L3: C_ter_rad_intra - L4: C_rad/NonDeC_intra - L5: C_rad/Cs3_intra - L5: C_rad/NDMustO_intra - L4: C_rad/OneDe_intra - L5: C_rad/Cs2_intra - L5: C_rad/ODMustO_intra - L4: C_rad/TwoDe_intra - - L2: Cd_rad_in - L3: Cd_pri_rad_in - L3: Cd_sec_rad_in - L4: Cd_rad_in/NonDeC - L4: Cd_rad_in/NonDeO - L4: Cd_rad_in/OneDe - L2: Cd_rad_out - - diff --git a/output/RMG_database/kinetics_groups/Diels_alder_addition/comments.rst b/output/RMG_database/kinetics_groups/Diels_alder_addition/comments.rst deleted file mode 100644 index 3dcffa6058..0000000000 --- a/output/RMG_database/kinetics_groups/Diels_alder_addition/comments.rst +++ /dev/null @@ -1,206 +0,0 @@ - ---- -590 ---- -[198] Huybrechts, G.; Luyckx, L.; Vandenboom, T.; Van Mele, B. Int. J. Chem. Kinet. 1977, 9, 283. -(E)-CH2=CHCH=CH2 + (E)-CH2=CHCH=CH2 --> 4-vinylcyclohexene - -Absolute value measured directly using thermal excitation technique and GC. Pressure 0.06-0.59 atm. - - ---- -591 ---- -[198] Huybrechts, G.; Luyckx, L.; Vandenboom, T.; Van Mele, B. Int. J. Chem. Kinet. 1977, 9, 283. -(E)-CH2=CHCH=CH2 + (E)-CH2=CHCH=CH2 --> 4-vinylcyclohexene - -Absolute value measured directly using thermal excitation technique and GC. Pressure 0.06-0.59 atm. - - ---- -592 ---- -[112] Kistiakowsky, G. B.; Lacher, J. R. J. Am. Chem. Soc. 1936, 58, 123. -(Z)-CH3CH=CHCHO + (E)-CH2=CHCH=CH2 --> 3-cyclohexene-1-carboxaldehyde,6-methyl - -Absolute value measured directly. Excitation: thermal. Pressure 0.64-0.78 atm - - ---- -593 ---- -[112] Kistiakowsky, G. B.; Lacher, J. R. J. Am. Chem. Soc. 1936, 58, 123. -(Z)-CH3CH=CHCHO + (E)-CH2=CHCH=CH2 --> 3-cyclohexene-1-carboxaldehyde,6-methyl - -Absolute value measured directly. Excitation: thermal. Pressure 0.64-0.78 atm - - ---- -594 ---- -[199] Simmie, J. M. Int. J. Chem. Kinet. 1978, 10, 227. -CH2=C(CH3)CH=CH2 + C2H4 --> 1-methyl-cyclohexane - -Data derived from fitting to a complex mechanism. Excitation: thermal. Analysis: GC. Presure 2.50 atm - - ---- -595 ---- -[199] Simmie, J. M. Int. J. Chem. Kinet. 1978, 10, 227. -CH2=C(CH3)CH=CH2 + C2H4 --> 1-methyl-cyclohexane - -Data derived from fitting to a complex mechanism. Excitation: thermal. Analysis: GC. Presure 2.50 atm - - ---- -596 ---- -[112] Kistiakowsky, G. B.; Lacher, J. R. J. Am. Chem. Soc. 1936, 58, 123. -CH2=CHCHO + CH2=C(CH3)CH=CH2 --> 3-cyclohexene-1-carboxaldehyde,4-methyl - -Absolute value measured directly. Excitation: thermal. Pressure 0.64-0.78 atm - - ---- -597 ---- -[112] Kistiakowsky, G. B.; Lacher, J. R. J. Am. Chem. Soc. 1936, 58, 123. -CH2=CHCHO + CH2=C(CH3)CH=CH2 --> 3-cyclohexene-1-carboxaldehyde,4-methyl - -Absolute value measured directly. Excitation: thermal. Pressure 0.64-0.78 atm - - ---- -598 ---- -[109] Huybrechts, G.; Rigaux, D.; Vankeerberghen, J.; Van Mele, B. Int. J. Chem. Kinet. 1980, 12, 253. -1,3-cyclohexadiene + C2H4 --> bicyclo[2.2.2]oct-2-ene - -Absolute value measured directly using thermal excitation technique and GC. Pressure 0.05-0.25 atm. - - ---- -599 ---- -[108] Huybrechts, G.; Poppelsdorf, H.; Maesschalck, L.; Van Mele, B. Int. J. Chem. Kinet. 1984, 16, 93. -1,3-cyclohexadiene + CH3CH=CH2 --> bicyclo[2.2.2]oct-2-ene,5-METHYL-(1alpha, 4alpha, 5beta) - -Absolute value measured directly using thermal excitation technique and GC. Pressure 0.07-0.82 atm. - - ---- -600 ---- -[108] Huybrechts, G.; Poppelsdorf, H.; Maesschalck, L.; Van Mele, B. Int. J. Chem. Kinet. 1984, 16, 93. -1,3-cyclohexadiene + CH3CH=CH2 --> bicyclo[2.2.2]oct-2-ene,5-METHYL-(1alpha, 4alpha, 5alpha) - -Absolute value measured directly using thermal excitation technique and GC. Pressure 0.07-0.82 atm. - - ---- -601 ---- -[108] Huybrechts, G.; Poppelsdorf, H.; Maesschalck, L.; Van Mele, B. Int. J. Chem. Kinet. 1984, 16, 93. -1,3-cyclohexadiene + 1-C4H8 --> bicyclo[2.2.2]oct-2-ene,5-ETHYL-(1alpha, 4alpha, 5beta) - -Absolute value measured directly using thermal excitation technique and GC. Pressure 0.07-0.82 atm. - - ---- -602 ---- -[108] Huybrechts, G.; Poppelsdorf, H.; Maesschalck, L.; Van Mele, B. Int. J. Chem. Kinet. 1984, 16, 93. -1,3-cyclohexadiene + 1-C4H8 --> bicyclo[2.2.2]oct-2-ene,5-ETHYL-(1alpha, 4alpha, 5alpha) - -Absolute value measured directly using thermal excitation technique and GC. Pressure 0.07-0.82 atm. - - ---- -603 ---- -[108] Huybrechts, G.; Poppelsdorf, H.; Maesschalck, L.; Van Mele, B. Int. J. Chem. Kinet. 1984, 16, 93. -1,3-cyclohexadiene + (CH3)2CHCH=CH2 --> bicyclo[2.2.2]oct-2-ene,5-(1-METHYLETHYL)-(1alpha, 4alpha, 5beta) - -Absolute value measured directly using thermal excitation technique and GC. Pressure 0.07-0.82 atm. - - ---- -604 ---- -[108] Huybrechts, G.; Poppelsdorf, H.; Maesschalck, L.; Van Mele, B. Int. J. Chem. Kinet. 1984, 16, 93. -1,3-cyclohexadiene + (CH3)2CHCH=CH2 --> bicyclo[2.2.2]oct-2-ene,5-(1-METHYLETHYL)-(1alpha, 4alpha, 5alpha) - -Absolute value measured directly using thermal excitation technique and GC. Pressure 0.07-0.82 atm. - - ---- -605 ---- -[108] Huybrechts, G.; Poppelsdorf, H.; Maesschalck, L.; Van Mele, B. Int. J. Chem. Kinet. 1984, 16, 93. -1,3-cyclohexadiene + CH3CH=CH2 --> bicyclo[2.2.2]oct-2-ene,5-METHYL-(1alpha, 4alpha, 5beta) - -Absolute value measured directly using thermal excitation technique and GC. Pressure 0.07-0.82 atm. - - ---- -606 ---- -[110] Van Mele, B.; Tybaert, C.; Huybrechts, G. Int. J. Chem. Kinet. 1987, 19, 1063. -1,3-cyclohexadiene + CH2=CHCHO --> bicyclo[2.2.2]oct-2-ene,2-carboxaldehyde(1alpha, 2alpha, 4alpha) - -Absolute value measured directly using thermal excitation technique and GC. Pressure 0.06-0.27 atm. - - ---- -607 ---- -[110] Van Mele, B.; Tybaert, C.; Huybrechts, G. Int. J. Chem. Kinet. 1987, 19, 1063. -1,3-cyclohexadiene + CH2=CHCHO --> bicyclo[2.2.2]oct-2-ene,2-carboxaldehyde(1alpha, 2beta, 4alpha) - -Absolute value measured directly using thermal excitation technique and GC. Pressure 0.06-0.27 atm. - - ---- -608 ---- -[111] Huybrechts, G.;Hubin, Y.; Narmon, M.; Van Mele, B. Int. J. Chem. Kinet. 1982, 14, 259. -1,3-cyclohexadiene + (E)CH2=CHCH=CH2 --> bicyclo[2.2.2]oct-2-ene,5-ethenyl(1alpha, 4alpha, 5alpha) - -Absolute value measured directly using thermal excitation technique and GC. Pressure 0.15-0.64 atm. - - ---- -609 ---- -[111] Huybrechts, G.;Hubin, Y.; Narmon, M.; Van Mele, B. Int. J. Chem. Kinet. 1982, 14, 259. -1,3-cyclohexadiene + (E)CH2=CHCH=CH2 --> bicyclo[2.2.2]oct-2-ene,5-ethenyl(1alpha, 4alpha, 5beta) - -Absolute value measured directly using thermal excitation technique and GC. Pressure 0.15-0.64 atm. - - ---- -610 ---- -[110] Van Mele, B.; Tybaert, C.; Huybrechts, G. Int. J. Chem. Kinet. 1987, 19, 1063. -1,3-cyclohexadiene + CH2=CHCHO --> bicyclo[2.2.2]oct-2-ene,2-carboxaldehyde(1alpha, 2alpha, 4alpha) - -Absolute value measured directly using thermal excitation technique and GC. Pressure 0.06-0.27 atm. - - ---- -611 ---- -[200] Benford, G. A.; Wassermann, A. J. Chem. Soc. 1939, 362. -Cyclopentadiene + cyclopentadiene --> Tricyclo[5.2.1.02,6]deca-c,8-diene. - -Absolute value measured directly using thermal excitation technique and mass spectrometry. Pressure 0.20-0.97 atm. - - ---- -612 ---- -[200] Benford, G. A.; Wassermann, A. J. Chem. Soc. 1939, 362. -Cyclopentadiene + cyclopentadiene --> Tricyclo[5.2.1.02,6]deca-c,8-diene. - -Absolute value measured directly using thermal excitation technique and mass spectrometry. Pressure 0.20-0.97 atm. diff --git a/output/RMG_database/kinetics_groups/Diels_alder_addition/dictionary.txt b/output/RMG_database/kinetics_groups/Diels_alder_addition/dictionary.txt deleted file mode 100755 index 5351a9669b..0000000000 --- a/output/RMG_database/kinetics_groups/Diels_alder_addition/dictionary.txt +++ /dev/null @@ -1,686 +0,0 @@ -//F19: diels-Alder reaction - -diene_out -Union {diene_unsub_unsub_out,diene_unsub_monosub_out,diene_unsub_disub_out,diene_monosub_monosub_out,diene_monosub_disub_out,diene_disub_disub_out,diene_5ring_out} - -diene_unsub_unsub_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {4,S} -8 H 0 {4,S} - -diene_unsub_monosub_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {4,S} -8 {R!H} 0 {4,S} - -diene_unsub_monosubNd_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {4,S} -8 {Cs,O} 0 {4,S} - -diene_unsub_monosubDe_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {4,S} -8 {Cd,Ct,Cb,CO} 0 {4,S} - -diene_unsub_disub_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 {R!H} 0 {4,S} -8 {R!H} 0 {4,S} - -diene_unsub_disubNd2_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 {Cs,O} 0 {4,S} -8 {Cs,O} 0 {4,S} - -diene_unsub_disubNdDe_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 {Cs,O} 0 {4,S} -8 {Cd,Ct,Cb,CO} 0 {4,S} - -diene_unsub_disubDe2_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {4,S} -8 {Cd,Ct,Cb,CO} 0 {4,S} - -diene_monosub_monosub_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 *7 {R!H} 0 {1,S} -7 *8 {R!H} 0 {4,S} -8 H 0 {4,S} - -diene_monosubNd_monosubNd_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 *7 {Cs,O} 0 {1,S} -7 *8 {Cs,O} 0 {4,S} -8 H 0 {4,S} - -diene_monosubNd_monosubDe_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 *7 {Cs,O} 0 {1,S} -7 *8 {Cd,Ct,Cb,CO} 0 {4,S} -8 H 0 {4,S} - -diene_monosubDe_monosubDe_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 *7 {Cd,Ct,Cb,CO} 0 {1,S} -7 *8 {Cd,Ct,Cb,CO} 0 {4,S} -8 H 0 {4,S} - -diene_monosub_disub_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 *7 {R!H} 0 {1,S} -7 *8 {R!H} 0 {4,S} -8 *9 {R!H} 0 {4,S} - -diene_monosubNd_disubNd2_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 *7 {Cs,O} 0 {1,S} -7 *8 {Cs,O} 0 {4,S} -8 *9 {Cs,O} 0 {4,S} - -diene_monosubNd_disubNdDe_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 *7 {Cs,O} 0 {1,S} -7 *8 {Cs,O} 0 {4,S} -8 *9 {Cd,Ct,Cb,CO} 0 {4,S} - -diene_monosubNd_disubDe2_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 *7 {Cs,O} 0 {1,S} -7 *8 {Cd,Ct,Cb,CO} 0 {4,S} -8 *9 {Cd,Ct,Cb,CO} 0 {4,S} - -diene_monosubDe_disubNd2_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 *7 {Cd,Ct,Cb,CO} 0 {1,S} -7 *8 {Cs,O} 0 {4,S} -8 *9 {Cs,O} 0 {4,S} - -diene_monosubDe_disubNdDe_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 *7 {Cd,Ct,Cb,CO} 0 {1,S} -7 *8 {Cs,O} 0 {4,S} -8 *9 {Cd,Ct,Cb,CO} 0 {4,S} - -diene_monosubDe_disubDe2_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 *7 {Cd,Ct,Cb,CO} 0 {1,S} -7 *8 {Cd,Ct,Cb,CO} 0 {4,S} -8 *9 {Cd,Ct,Cb,CO} 0 {4,S} - -diene_disub_disub_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 *7 {R!H} 0 {1,S} -6 *8 {R!H} 0 {1,S} -7 *9 {R!H} 0 {4,S} -8 *10 {R!H} 0 {4,S} - -diene_disubNd2_disubNd2_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 *7 {Cs,O} 0 {1,S} -6 *8 {Cs,O} 0 {1,S} -7 *9 {Cs,O} 0 {4,S} -8 *10 {Cs,O} 0 {4,S} - -diene_disubNd2_disubDe_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 *7 {Cs,O} 0 {1,S} -6 *8 {Cs,O} 0 {1,S} -7 *9 {R!H} 0 {4,S} -8 *10 {Cd,Ct,Cb,CO} 0 {4,S} - -diene_disubDe_disubDe_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 *7 {R!H} 0 {1,S} -6 *8 {Cd,Ct,Cb,CO} 0 {1,S} -7 *9 {R!H} 0 {4,S} -8 *10 {Cd,Ct,Cb,CO} 0 {4,S} - -diene_5ring_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {6,S}, {7,S} -5 *7 R 0 {1,S} -6 *8 C 0 {1,S} {4,S} -7 *9 R 0 {4,S} - -diene_5ring_H_H_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {6,S}, {7,S} -5 *7 H 0 {1,S} -6 *8 C 0 {1,S} {4,S} -7 *9 H 0 {4,S} - -diene_5ring_H_Nd_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {6,S}, {7,S} -5 *7 H 0 {1,S} -6 *8 C 0 {1,S} {4,S} -7 *9 {Cs,O} 0 {4,S} - -diene_5ring_Nd_Nd_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {6,S}, {7,S} -5 *7 {Cs,O} 0 {1,S} -6 *8 C 0 {1,S} {4,S} -7 *9 {Cs,O} 0 {4,S} - -diene_in -1 *4 Cd 0 {2,S} -2 *5 Cd 0 {1,S} - -diene_in_2H -1 *4 Cd 0 {2,S} {3,S} -2 *5 Cd 0 {1,S} {4,S} -3 H 0 {1,S} -4 H 0 {2,S} - -diene_in_HNd -1 *4 Cd 0 {2,S} {3,S} -2 *5 Cd 0 {1,S} {4,S} -3 H 0 {1,S} -4 {Cs,O} 0 {2,S} - -diene_in_NdH -1 *4 Cd 0 {2,S} {3,S} -2 *5 Cd 0 {1,S} {4,S} -3 {Cs,O} 0 {1,S} -4 H 0 {2,S} - -diene_in_HDe -1 *4 Cd 0 {2,S} {3,S} -2 *5 Cd 0 {1,S} {4,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -diene_in_DeH -1 *4 Cd 0 {2,S} {3,S} -2 *5 Cd 0 {1,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {2,S} - -diene_in_Nd2 -1 *4 Cd 0 {2,S} {3,S} -2 *5 Cd 0 {1,S} {4,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {2,S} - -diene_in_NdDe -1 *4 Cd 0 {2,S} {3,S} -2 *5 Cd 0 {1,S} {4,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -diene_in_DeNd -1 *4 Cd 0 {2,S} {3,S} -2 *5 Cd 0 {1,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {2,S} - -diene_in_De2 -1 *4 Cd 0 {2,S} {3,S} -2 *5 Cd 0 {1,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -ene -1 *1 Cd 0 {2,D} -2 *2 Cd 0 {1,D} - -ene_unsub_unsub -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -ene_unsub_monosub -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -ene_2H_HNd -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_2H_HDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_monosub_unsub -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -ene_HNd_2H -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -ene_HDe_2H -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -ene_monosub_monosub -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -ene_HNd_HNd -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_HNd_HDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_HDe_HNd -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_HDe_HDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_unsub_disub -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -ene_2H_Nd2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_2H_NdDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_2H_De2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_disub_unsub -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -ene_Nd2_2H -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -ene_NdDe_2H -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -ene_De2_2H -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -ene_monosub_disub -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {R!H} 0 {1,S} -4 H 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -ene_HNd_Nd2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_HNd_NdDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_HNd_De2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_HDe_Nd2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_HDe_NdDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_HDe_De2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_disub_monosub -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -ene_Nd2_HNd -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_Nd2_HDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_NdDe_HNd -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_NdDe_HDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_De2_HNd -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_De2_HDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_disub_disub -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -ene_Nd2_Nd2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_Nd2_NdDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_Nd2_De2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_NdDe_Nd2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_NdDe_NdDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_NdDe_De2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_De2_Nd2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_De2_NdDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_De2_De2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - - diff --git a/output/RMG_database/kinetics_groups/Diels_alder_addition/forbiddenGroups.txt b/output/RMG_database/kinetics_groups/Diels_alder_addition/forbiddenGroups.txt deleted file mode 100644 index 17e0a94644..0000000000 --- a/output/RMG_database/kinetics_groups/Diels_alder_addition/forbiddenGroups.txt +++ /dev/null @@ -1,11 +0,0 @@ -threeMemberedRing_2342 -1 *3 Cd 0 {2,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 *5 Cd 0 {2,S} {4,D} -4 *6 Cd 0 {3,D} {2,S} - -threeMemberedRing_3213 -1 *3 Cd 0 {2,D} {3,S} -2 *4 Cd 0 {1,D} {3,S} -3 *5 Cd 0 {2,S} {4,D} {1,S} -4 *6 Cd 0 {3,D} \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/Diels_alder_addition/rateLibrary.txt b/output/RMG_database/kinetics_groups/Diels_alder_addition/rateLibrary.txt deleted file mode 100755 index 1585b49d25..0000000000 --- a/output/RMG_database/kinetics_groups/Diels_alder_addition/rateLibrary.txt +++ /dev/null @@ -1,44 +0,0 @@ -// rate library for f19: diels-Alder reaction - -// JS, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// f19_diels_Alde -// rate constants from rate_library_4.txt, Cath, 03/07/28 - -// Catherina Wijaya thesis, pg 132 - -// [108] Huybrechts, G.; Poppelsdorf, H.; Maesschalck, L.; Van Mele, B. Int. J. Chem. Kinet. 1984, 16, 93. -// [109] Huybrechts, G.; Rigaux, D.; Vankeerberghen, J.; Van Mele, B. Int. J. Chem. Kinet. 1980, 12, 253. -// [110] Van Mele, B.; Tybaert, C.; Huybrechts, G. Int. J. Chem. Kinet. 1987, 19, 1063. -// [111] Huybrechts, G.;Hubin, Y.; Narmon, M.; Van Mele, B. Int. J. Chem. Kinet. 1982, 14, 259. -// [112] Kistiakowsky, G. B.; Lacher, J. R. J. Am. Chem. Soc. 1936, 58, 123. -// [198] Huybrechts, G.; Luyckx, L.; Vandenboom, T.; Van Mele, B. Int. J. Chem. Kinet. 1977, 9, 283. -// [199] Simmie, J. M. Int. J. Chem. Kinet. 1978, 10, 227. -// [200] Benford, G. A.; Wassermann, A. J. Chem. Soc. 1939, 362. - -//No. diene_out diene_in ene Temp. A N a E0 DA Dn Da DE0 Rank Comments -589. diene_out diene_in ene 300-1500 5E+09 0 0 0 0 0 0 0 0 "default" -590. diene_unsub_unsub_out diene_in_2H ene_2H_HDe 464-557 8.91E+09 0 0 24.44 0 0 0 0 3 Huybrechts et al. [198] -591. diene_unsub_unsub_out diene_in_2H ene_HDe_2H 464-557 8.91E+09 0 0 24.44 0 0 0 0 3 Huybrechts et al. [198] -592. diene_unsub_unsub_out diene_in_2H ene_HNd_HDe 515-572 8.99E+08 0 0 22.06 0 0 0 0 3 Kistiakowsky et al [112] -593. diene_unsub_unsub_out diene_in_2H ene_HDe_HNd 515-572 8.99E+08 0 0 22.06 0 0 0 0 3 Kistiakowsky et al [112] -594. diene_unsub_unsub_out diene_in_HNd ene_unsub_unsub 1000-1180 1.32E+11 0 0 29.61 0 0 0 0 4 Simmie [199] -595. diene_unsub_unsub_out diene_in_NdH ene_unsub_unsub 1000-1180 1.32E+11 0 0 29.61 0 0 0 0 4 Simmie [199] -596. diene_unsub_unsub_out diene_in_HNd ene_HDe_2H 492-606 1.02E+09 0 0 18.70 0 0 0 0 3 Kistiakowsky et al [112] -597. diene_unsub_unsub_out diene_in_NdH ene_2H_HDe 492-606 1.02E+09 0 0 18.70 0 0 0 0 3 Kistiakowsky et al [112] -598. diene_monosubNd_monosubNd_out diene_in_2H ene_unsub_unsub 450-592 4.57E+09 0 0 26.03 *1.05 0 0 0 3 Huybrechts et al. [109] -599. diene_monosubNd_monosubNd_out diene_in_2H ene_2H_HNd 488-606 1.12E+09 0 0 26.63 *1.12 0 0 0 3 Huybrechts et al. [108] -600. diene_monosubNd_monosubNd_out diene_in_2H ene_2H_HNd 488-606 2.09E+09 0 0 28.81 *1.12 0 0 0 3 Huybrechts et al. [108] -601. diene_monosubNd_monosubNd_out diene_in_2H ene_2H_HNd 488-606 7.08E+08 0 0 26.23 *1.12 0 0 0 3 Huybrechts et al. [108] -602. diene_monosubNd_monosubNd_out diene_in_2H ene_2H_HNd 488-606 1.17E+09 0 0 28.62 *1.12 0 0 0 3 Huybrechts et al. [108] -603. diene_monosubNd_monosubNd_out diene_in_2H ene_2H_HNd 488-600 3.72E+08 0 0 26.63 *1.07 0 0 0 3 Huybrechts et al. [108] -604. diene_monosubNd_monosubNd_out diene_in_2H ene_2H_HNd 486-600 2.95E+08 0 0 28.42 *1.1 0 0 0 3 Huybrechts et al. [108] -605. diene_monosubNd_monosubNd_out diene_in_2H ene_HNd_2H 488-606 1.12E+09 0 0 26.63 *1.12 0 0 0 3 Huybrechts et al. [108] -606. diene_monosubNd_monosubNd_out diene_in_2H ene_2H_HDe 379-581 1.02E+09 0 0 20.07 *1.07 0 0 0 3 Van Mele et al [110] -607. diene_monosubNd_monosubNd_out diene_in_2H ene_2H_HDe 379-581 6.03E+08 0 0 20.87 *1.07 0 0 0 3 Van Mele et al [110] -608. diene_monosubNd_monosubNd_out diene_in_2H ene_2H_HDe 437-526 1.15E+10 0 0 26.83 *1.05 0 0 0 3 Huybrechts et al. [111] -609. diene_monosubNd_monosubNd_out diene_in_2H ene_2H_HDe 437-526 3.8E+09 0 0 24.84 *1.05 0 0 0 3 Huybrechts et al. [111] -610. diene_monosubNd_monosubNd_out diene_in_2H ene_HDe_2H 379-581 1.02E+09 0 0 20.07 *1.07 0 0 0 3 Van Mele et al [110] -611. diene_monosubNd_monosubNd_out diene_in_2H ene_HNd_HDe 352-423 1.26E+9 0 0 16.69 0 0 0 0 3 Benford et al [200] -612. diene_monosubNd_monosubNd_out diene_in_2H ene_HDe_HNd 352-423 1.26E+9 0 0 16.69 0 0 0 0 3 Benford et al [200] diff --git a/output/RMG_database/kinetics_groups/Diels_alder_addition/reactionAdjList.txt b/output/RMG_database/kinetics_groups/Diels_alder_addition/reactionAdjList.txt deleted file mode 100755 index 275be0222d..0000000000 --- a/output/RMG_database/kinetics_groups/Diels_alder_addition/reactionAdjList.txt +++ /dev/null @@ -1,27 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 29, 2003 // -// // -////////////////////////////////////////////////////// - - -// f19 Diels-Alder reaction - -ene + diene_out -> Six_Ring - -forward -reverse(f20): Retro_Diels_Alder_Addition - -Actions 1 -(1) CHANGE_BOND {*1,-1,*2} -(2) CHANGE_BOND {*3,-1,*4} -(3) CHANGE_BOND {*4,1,*5} -(4) CHANGE_BOND {*5,-1,*6} -(5) FORM_BOND {*1,S,*3} -(6) FORM_BOND {*2,S,*6} - - - - diff --git a/output/RMG_database/kinetics_groups/Diels_alder_addition/tree.txt b/output/RMG_database/kinetics_groups/Diels_alder_addition/tree.txt deleted file mode 100755 index a99b318358..0000000000 --- a/output/RMG_database/kinetics_groups/Diels_alder_addition/tree.txt +++ /dev/null @@ -1,87 +0,0 @@ -//F19 Diels-alder reaction -L1: diene_out - L2: diene_unsub_unsub_out - L2: diene_unsub_monosub_out - L3: diene_unsub_monosubNd_out - L3: diene_unsub_monosubDe_out - L2: diene_unsub_disub_out - L3: diene_unsub_disubNd2_out - L3: diene_unsub_disubNdDe_out - L3: diene_unsub_disubDe2_out - L2: diene_monosub_monosub_out - L3: diene_monosubNd_monosubNd_out - L3: diene_monosubNd_monosubDe_out - L3: diene_monosubDe_monosubDe_out - L2: diene_monosub_disub_out - L3: diene_monosubNd_disubNd2_out - L3: diene_monosubNd_disubNdDe_out - L3: diene_monosubNd_disubDe2_out - L3: diene_monosubDe_disubNd2_out - L3: diene_monosubDe_disubNdDe_out - L3: diene_monosubDe_disubDe2_out - L2: diene_disub_disub_out - L3: diene_disubNd2_disubNd2_out - L3: diene_disubNd2_disubDe_out - L3: diene_disubDe_disubDe_out - L2: diene_5ring_out - L3: diene_5ring_H_H_out - L3: diene_5ring_H_Nd_out - L3: diene_5ring_Nd_Nd_out - -L1: diene_in - L2: diene_in_2H - L2: diene_in_HNd - L2: diene_in_HDe - L2: diene_in_NdH - L2: diene_in_DeH - L2: diene_in_Nd2 - L2: diene_in_NdDe - L2: diene_in_DeNd - L2: diene_in_De2 - -L1: ene - L2: ene_unsub_unsub - L2: ene_unsub_monosub - L3: ene_2H_HNd - L3: ene_2H_HDe - L2: ene_monosub_unsub - L3: ene_HNd_2H - L3: ene_HDe_2H - L2: ene_monosub_monosub - L3: ene_HNd_HNd - L3: ene_HNd_HDe - L3: ene_HDe_HNd - L3: ene_HDe_HDe - L2: ene_unsub_disub - L3: ene_2H_Nd2 - L3: ene_2H_NdDe - L3: ene_2H_De2 - L2: ene_disub_unsub - L3: ene_Nd2_2H - L3: ene_NdDe_2H - L3: ene_De2_2H - L2: ene_monosub_disub - L3: ene_HNd_Nd2 - L3: ene_HNd_NdDe - L3: ene_HNd_De2 - L3: ene_HDe_Nd2 - L3: ene_HDe_NdDe - L3: ene_HDe_De2 - L2: ene_disub_monosub - L3: ene_Nd2_HNd - L3: ene_Nd2_HDe - L3: ene_NdDe_HNd - L3: ene_NdDe_HDe - L3: ene_De2_HNd - L3: ene_De2_HDe - L2: ene_disub_disub - L3: ene_Nd2_Nd2 - L3: ene_Nd2_NdDe - L3: ene_Nd2_De2 - L3: ene_NdDe_Nd2 - L3: ene_NdDe_NdDe - L3: ene_NdDe_De2 - L3: ene_De2_Nd2 - L3: ene_De2_NdDe - L3: ene_De2_De2 - diff --git a/output/RMG_database/kinetics_groups/Disproportionation/comments.rst b/output/RMG_database/kinetics_groups/Disproportionation/comments.rst deleted file mode 100644 index d137f36242..0000000000 --- a/output/RMG_database/kinetics_groups/Disproportionation/comments.rst +++ /dev/null @@ -1,1134 +0,0 @@ ---- -487 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review: i-C3H7 + O2 = HO2 + C3H6 - -pg. 931-932: Discussion on evaluated data - -Entry 42,3 (a): Author appears to be skeptical of the only experimentally reported - -value. Author notes that more recent work on C2H5+O2 suggested that the -addition and disproportionation rxns may be coupled through a common intermediate. -For the time being, the author decided to recommend the only experimentally -reported rate coefficient, only for temperatures above 700K, as they note the -addition rxn should be the predominant rxn at lower temperatures. -MRH 30-Aug-2009 - -Divide the rate constant by 12 to account for symmetry of 2 (O2) and 6 (i-C3H7, carbons #1 and 3). The final result is 1.05833e+10 cm3/mol/s. -JDM 31-Mar-2010 - - ---- -488 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review. CH2(triplet) + i-C3H7 --> C3H6 + CH3 - -pg. 944: Discussion on evaluated data - -Entry 42,26: No data available at the time. Author suggests this is a minor channel, - -stating the main process should be combination, leading to chemically activated -i-butyl radical. Rate coefficient is estimate. -MRH 30-Aug-2009 - - ---- -489 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review. H + i-C3H7 --> C3H6 + H2 - -pg. 932: Discussion on evaluated data - -Entry 42,4 (a): No data available at the time. Author recommends a rate coefficient - -expression equal to double the rate expression of H+C2H5=H2+C2H4. -MRH 30-Aug-2009 - - ---- -490 ---- -[89] Tsang, W.; Hampson, R.F.; Journal of Physical and Chemical Reference Data (1986) 15(3), 1087-1279. -Literature review. H + C2H5 --> C2H4 + H2 - -pg. 1174: Discussion on evaluated data - -Entry 17,4 (c): Author recommends rate coefficient from study performed by - -Camilleri, et al. (1974) -MRH 30-Aug-2009 - - ---- -491 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review. CH3 + i-C3H7 --> C3H6 + CH4 - -pg. 937: Discussion on evaluated data - -Entry 42,16 (b): Author notes that measurements performed by Arthur and Anastasi on - -the rate coefficient of total CH3+i-C3H7 decomposition matches very well with -the coefficient derived from the recommended rate of CH3+CH3 decomposition, the -recommended rate of i-C3H7+i-C3H7 decomposition, and the geometric rule. The author -recommends a high-pressure rate expression of 4.7x10^-11*(300/T)^0.68 cm3/molecule/s -for the addition rexn (based on the geometric mean rule???) and recommends the -branching ratio of 0.16 reported by Gibian and Corley (1973). -NOTE: Previous data entry appeared to compute A and n as such: - -A = 0.16 * 4.7x10^-11 * (1/300)^0.68 -n = 0.68 -However, MRH would compute A and n: - -A = 0.16 * 4.7x10^-11 * (300)^0.68 -n = -0.68 -These are the values that now reside in the database. The online NIST database - -(kinetics.nist.gov) agree with what I have calculated. -MRH 30-Aug-2009 - - ---- -492 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review. C2H5 + i-C3H7 --> C3H6 + C2H6 - -pg. 937-938: Discussion on evaluated data - -Entry 42,17 (c): No data available at the time. The rate coefficient expression for - -the combination rxn is computed using the geometric mean rule and is reported as -2.6x10^-11 * (300/T)^0.35 cm3/molecule/s. The recommended branching ratio for -disproportionation to addition is that reported by Gibian and Corley (1973). -MRH 30-Aug-2009 - - ---- -493 ---- -[93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. -Literature review: C3H5 + iC3H7 --> C3H6 + C3H6 - -pg.268: Discussion on evaluated data - -Entry 47,42(a): No data available at the time. Recommended rate coefficient expression - -based on rxn C3H5+C2H5=C2H4+C3H6 (James, D.G.L. and Troughton, G.E.) and values -for "alkyl radicals" (Gibian M.J. and Corley R.C.); this leads to disproportionation- -to-addition ratio of 0.2. The addition rate expression was derived using the geometric -mean rule for the rxns C3H5+C3H5-->adduct and iC3H7+iC3H7-->adduct. -MRH 31-Aug-2009 - - ---- -494 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review. CH2OH + i-C3H7 --> C3H6 + CH3OH - -pg. 945: Discussion on evaluated data - -Entry 42,39 (c): No data available at the time. Author recommends a rate coefficient - -of 4.8x10^-12 based on the rate expression of i-C3H7+C2H5=C2H6+C3H6 -MRH 30-Aug-2009 - - ---- -495 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review. i-C3H7 + i-C3H7 --> C3H6 + C3H8 - -pg. 946-947: Discussion on evaluated data - -Entry 42,42 (b): No high-Temperature data available. Author has fit rate coefficient - -expression for addition rxn to 4 sets of experimental data. Recommended branching -ratio agrees well with most of the experimental data. -MRH 30-Aug-2009 - - ---- -496 ---- -[92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. -Literature review: t-C4H9 + i-C3H7 --> C3H6 + i-C4H10 - -pg. 46: Discussion on evaluated data - -Entry 44,42 (a): The author computes the combination rate expression using the geometric - -mean rule (of the rxns t-C4H9+t-C4H9-->adduct and i-C3H7+i-C3H7-->adduct). The -disproportionation rate coefficient expression was then computed using the -reported branching ratio. -MRH 30-Aug-2009 - - ---- -497 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review. C2H3 + i-C3H7 --> C3H6 + C2H4 - -pg. 939-940: Discussion on evaluated data - -Entry 42,19 (a): No data available at the time. Author recommends the rate coefficient - -expression of C2H5+i-C3H7 for the rate expression for C2H3+i-C3H7. Author also -recommends the branching ratio of disproportionation to addition of the -C2H5+i-C3H7 system for the C2H3+i-C3H7 system. -MRH 30-Aug-2009 - - ---- -498 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review. C2H + i-C3H7 --> C3H6 + C2H2 - -pg. 941-942: Discussion on evaluated data - -Entry 42,21 (a): No data available at the time. Author recommends a rate coefficient - -of 6x10^-12 cm3/molecule/s, a "typical" disproportionation rate. -MRH 30-Aug-2009 - - ---- -499 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review. OH + i-C3H7 --> C3H6 + H2O - -pg. 934: Discussion on evaluated data - -Entry 42,6: No data available at the time. Author notes that both a H-atom abstraction - -rxn and an addition + hot adduct decomposition rxn will result in the same products. -MRH 30-Aug-2009 - - ---- -500 ---- -[95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; Troe, J.; Walker, R.W.; Warnatz, J.; Journal of Physical and Chemical Reference Data (1992), 21(3), 411-734. -pg.523: Discussion of evaluated data - -H+CH3O --> H2+CH2O: Authors state that no new data have been reported for this reaction. - -MRH assumes the recommended value comes from a previous review article published -by authors. In any case, recommended data fits the reported data well. -MRH 31-Aug-2009 - - ---- -501 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review: n-C3H7 + O2 = HO2 + C3H6 - -pg. 914-915: Discussion on evaluated data - -Entry 41,3 (a): The author suggests a rate coefficient based on those reported in the - -literature. The author notes that the data reported in the literature suggests -the formation of C3H6 is controlled by the addition rxn. The author further -notes that it is surprising that p-dependence effects are not observed for -C3H6 formation. -MRH 30-Aug-2009 - -Divide the rate constant by 4 to account for symmetry of 2 (O2) and 2 (n-C3H7, carbon #2). The final result is 2.25825e+10 cm3/mol/s. -JDM 31-Mar-2010 - - ---- -502 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review. CH2_triplet + n-C3H7 --> C3H6 + CH3 - -pg. 925: Discussion on evaluated data - -Entry 41,26: No data available at the time. Author estimates the rate coefficient - -expression of the addition rxn. The author then recommends that the disproportionation -rate coefficient not exceed 10% of the combination rate. Thus, the rate coefficient -is an upper limit. -MRH 30-Aug-2009 - - ---- -503 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review. H + n-C3H7 --> C3H6 + H2 - -pg. 915-916: Discussion on evaluated data - -Entry 41,4 (a): No data available at the time. Author recommends the rate coefficient - -of the H+C2H5=C2H4+H2 rxn for the H+n-C3H7=C3H6+H2 rxn. -MRH 30-Aug-2009 - - ---- -504 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review. CH3 + n-C3H7 --> C3H6 + CH4 - -pg. 920: Discussion on evaluated data - -Entry 41,16 (b): No direct measurements for either the addition or disproportionation - -rxns. Author recommends a rate coefficient expression for the addition rxn, based -on the geometric mean rule of the rxns CH3+CH3=>adduct and n-C3H7+n-C3H7=>adduct. -Furthermore, author recommends a branching ratio for disproportionation to -addition of 0.06 (which appears to MRH to be consistent with the experimentally -measured branching ratios) -MRH 30-Aug-2009 - - ---- -505 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review. C2H5 + n-C3H7 --> C3H6 + C2H6 - -pg. 937-938: Discussion on evaluated data - -Entry 42,17 (b): No direct measurements for either the addition or disproportionation - -rxns. Author recommends a rate coefficient expression for the addition rxn, based -on the geometric mean rule of the rxns C2H5+C2H5=>adduct and n-C3H7+n-C3H7=>adduct. -Furthermore, author recommends a branching ratio for disproportionation to -addition of 0.073 (which is an average of the 2 experimentally determined -branching ratios) -MRH 30-Aug-2009 - - ---- -506 ---- -[93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. -Literature review: C3H5 + nC3H7 --> C3H6 + C3H6 - -pg.268: Discussion on evaluated data - -Entry 47,41(a): No data available at the time. Recommended rate coefficient expression - -based on rxn C3H5+C2H5=C2H4+C3H6 (James, D.G.L. and Troughton, G.E.) and values -for "alkyl radicals" (Gibian M.J. and Corley R.C.); this leads to disproportionation- -to-addition ratio of 0.07. The addition rate expression was derived using the geometric -mean rule for the rxns C3H5+C3H5-->adduct and nC3H7+nC3H7-->adduct. -MRH 31-Aug-2009 - - ---- -507 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review. CH2OH + n-C3H7 --> C3H6 + CH3OH - -pg. 926: Discussion on evaluated data - -Entry 41,39 (c): No data available at the time. Author estimates the rate coefficient - -for the addition rxn to be similar to the rate for n-C3H7+n-C3H7=>adduct. Author -also estimates the branching ratio of disproportionation to addition as 0.051 -MRH 30-Aug-2009 - - ---- -508 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review. i-C3H7 + n-C3H7 --> C3H6 + C3H8 - -pg. 945-946: Discussion on evaluated data - -Entry 42,41 (b): No data available at the time. Author estimates the rate coefficient - -expression of the addition rxn using the rate for i-C3H7+i-C3H7=>adduct, the rate -for n-C3H7+n-C3H7=>adduct, and the geometric mean rule. The author recommends -the branching ratio of disproportionation to addition reported by Gibian and -Corley (1973). -MRH 30-Aug-2009 - - ---- -509 ---- -[92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. -Literature review: t-C4H9 + n-C3H7 --> C3H6 + i-C4H10 - -pg. 45: Discussion on evaluated data - -Entry 44,41 (a): No data available at the time. Author estimates the rate expression - -for the combination rxn using the geometric mean rule (of the rxns t-C4H9+t-C4H9-->adduct -and n-C3H7+n-C3H7-->adduct). The author then estimates the disproportionation -rate expression using the branching ratio; the branching ratio is from "analogous -processes". -MRH 30-Aug-2009 - - ---- -510 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review. C2H3 + n-C3H7 --> C3H6 + C2H4 - -pg. 922: Discussion on evaluated data - -Entry 41,19 (a): No data available at the time. Author estimates the rate coefficient - -based on the rxn C2H5+n-C3H7=C3H6=C2H6. -MRH 30-Aug-2009 - - ---- -511 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review. C2H + n-C3H7 --> C3H6 + C2H2 - -pg. 923: Discussion on evaluated data - -Entry 41,21 (a): No data available at the time. Author notes that the rxn is more exothermic - -than the rxn CH3+n-C3H7=C3H6+CH4 and suggests a rate coefficient 3x larger, -namely 1.0x10^-11 cm3/molecule/s. -MRH 30-Aug-2009 - - ---- -512 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review. OH + n-C3H7 --> C3H6 + H2O - -pg. 917: Discussion on evaluated data - -Entry 41,6 (a): No data available at the time. Author estimates rate coefficient based - -on the rate coefficient for OH+C2H5=C2H4+H2O, namely 4.0x10^-11 cm3/molecule/s. -MRH 30-Aug-2009 - - ---- -513 ---- -[92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. -Literature review: O2 + iC4H9 --> iC4H8 + HO2 - -pg. 52-53: Discussion on evaluated data - -Entry 45,3 (a): The author recommends a rate coefficient based on the experiments performed - -by Baker et al. (yielding a disproportionation-to-decomposition ratio) and the -current (Tsang) study's recommended iC4H9 unimolecular decomposition rate. -MRH 31-Aug-2009 - -Divide the rate constant by 2 to account for symmetry of 2 (O2) and 1 (i-C4H9, carbon #2). The final result is 1.2044e+10 cm3/mol/s. -JDM 31-Mar-2010 - - ---- -514 ---- -[92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. -Literature review: C2H + i-C4H9 --> i-C4H8 + C2H2 - -pg. 61: Discussion on evaluated data - -Entry 45,21: No data available at the time. The author estimates the rate of - -disproportionation to be 1x10^-11 cm3/molecule/s. -*** NOTE: RMG_database previously had CH2_triplet as Y_rad_birad node, not Ct_rad *** - -MRH 30-Aug-2009 - - ---- -515 ---- -[92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. -Literature review: H + i-C4H9 --> i-C4H8 + H2 - -pg. 53: Discussion on evaluated data - -Entry 45,4 (c): No data available at the time. The author estimates the disproportionation - -rate coefficent as half the rate of H+n-C3H7=C3H6+H2 (due to the presence of 2 -H-atoms on the alpha-carbon in n-C3H7 and only 1 on the alpha-carbon of i-C4H9). -The author also states that the branching ratio is pressure-dependent and supplies -fall-off tables and collisional efficiencies. -MRH 30-Aug-2009 - - ---- -516 ---- -[92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. -Literature review: CH3 + i-C4H9 --> i-C4H8 + CH4 - -pg. 58: Discussion on evaluated data - -Entry 45,16 (b): No data available at the time. The author estimates the disproportionation - -rate coefficient as half the rate of CH3+n-C3H7=C3H6+H2 (due to half as many H-atoms -on the alpha-carbon). -MRH 30-Aug-2009 - - ---- -517 ---- -[92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. -Literature review: C2H5 + i-C4H9 --> i-C4H8 + C2H6 - -pg. 59: Discussion on evaluated data - -Entry 45,17 (a): No direct measurements of either the addition or disproportionation rxns. - -The combination rate coefficient was computed using the geometric mean rule (of the -rxns C2H5+C2H5-->adduct and i-C4H9+i-C4H9-->adduct). The disproportionation rate -coefficient was computed using the disproportionation-to-combination ratio reported -by Gibian and Corley (1973). -MRH 30-Aug-2009 - - ---- -518 ---- -[92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. -Literature review: CH2OH + i-C4H9 --> i-C4H8 + CH3OH - -pg. 64: Discussion on evaluated data - -Entry 45,39 (c): No data available at the time. Author estimates the disproportionation rate - -coefficient as half the rate of CH2OH+n-C3H7=C3H6+CH3OH (due to half as many H-atoms -on the alpha-carbon). -*** NOTE: Although author states the the rate coefficient of CH2OH+i-C4H9=i-C4H8+CH3OH - -is half that of CH2OH+n-C3H7=C3H6+CH3OH, MRH finds them to be equal, both in the electronic -references and the online NIST database (kinetics.nist.gov). I am therefore -cutting the A in the RMG_database in two. *** -MRH 30-Aug-2009 - - ---- -519 ---- -[93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. -Literature review: C3H5 + iC4H9 --> iC4H8 + C3H6 - -pg.270: Discussion on evaluated data - -Entry 47,45(a): No data available at the time. Recommended rate coefficient expression - -based on rxn C3H5+C2H5=C2H4+C3H6 (James, D.G.L. and Troughton, G.E.); this leads to disproportionation- -to-addition ratio of 0.04. The addition rate expression was derived using the geometric -mean rule for the rxns C3H5+C3H5-->adduct and iC4H9+iC4H9-->adduct. -MRH 31-Aug-2009 - - ---- -520 ---- -[92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. -Literature review: i-C3H7 + i-C4H9 --> i-C4H8 + C3H8 - -pg. 65: Discussion on evaluated data - -Entry 45,42 (b): No data available at the time. Author estimates the disproportionation rate - -coefficient as half the rate of i-C3H7+n-C3H7=C3H6+C3H8 (due to half as many H-atoms -on the alpha-carbon). -*** NOTE: MRH computes half the rate of i-C3H7+n-C3H7=C3H6+C3H8 as 0.52x10^-11 * (300/T)^0.35, - -not 0.58x10^-11 * (300/T)^0.35. However, there may be a reason for the relatively -small discrepancy between the author's stated and implemented calculation. *** -MRH 30-Aug-2009 - - ---- -521 ---- -[92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. -Literature review: t-C4H9 + i-C4H9 --> i-C4H8 + i-C4H10 - -pg. 66: Discussion on evaluated data - -Entry 45,44 (b): No data available at the time. Author estimates the disproportionation rate - -coefficient as half the rate of t-C4H9+n-C3H7=C3H6+i-C4H10 (due to half as many H-atoms -on the alpha-carbon). -*** NOTE: Although author states the the rate coefficient of t-C4H9+i-C4H9=i-C4H8+i-C4H10 - -is half that of t-C4H9+n-C3H7=C3H6+i-C4H10, MRH finds them to be equal, both in the electronic -references and the online NIST database (kinetics.nist.gov). I am therefore -cutting the A in the RMG_database in two. *** -MRH 30-Aug-2009 - - ---- -522 ---- -[92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. -Literature review: C2H3 + i-C4H9 --> i-C4H8 + C2H4 - -pg. 60: Discussion on evaluated data - -Entry 45,19 (b): No data available at the time. Author estimates the disproportionation rate - -coefficient based on the rate of C2H5+i-C4H9=i-C4H8+C2H6. -MRH 30-Aug-2009 - - ---- -523 ---- -[92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. -Literature review: OH + i-C4H9 --> i-C4H8 + H2O - -pg. 55: Discussion on evaluated data - -Entry 45,6 (a): No data available at the time. Author estimates the disproportionation rate - -coefficient as half the rate of OH+n-C3H7=C3H6+H2O (due to half as many H-atoms -on the alpha-carbon). -MRH 30-Aug-2009 - - ---- -524 ---- -[93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. -Literature review: O2 + C3H5 --> H2C=C=CH2 + HO2 - -pg.251: Discussion on evaluated data - -*** UPPER LIMIT *** - -Entry 47,3(b): The author states that there is uncertainty whether this rxn is appreciable - -at high temperatures. There were conflicting results published regarding the -significance above 461K (Morgan et al. and Slagle and Gutman). The author thus -decides to place an upper limit on the rate coefficient of 2x10^-12 * exp(-6820/T) -cm3/molecule/s. The author further notes that this upper limit assumes no -contribution from a complex rearrangement of the adduct. Finally, the author -notes that this rxn should not be significant in combustion situations. -MRH 31-Aug-2009 - -Divide the rate constant by 2 to account for symmetry of 2 (O2) and 1 (allyl, carbon #2). The final result is 6.022e+11 cm3/mol/s, Ea = 13.55 kcal/mol. -JDM 31-Mar-2010 - - ---- -525 ---- -[93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. -Literature review: H + C3H5 --> H2C=C=CH2 + H2 - -pg.252: Discussion on evaluated data - -Entry 47,4(c): No data available at the time. Author assigns a rate coefficient of - -3x10^-11 cm3/molecule/s for the disproportionation rxn. -MRH 31-Aug-2009 - - ---- -526 ---- -[93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. -Literature review: CH3 + C3H5 --> H2C=C=CH2 + CH4 - -pg.257: Discussion on evaluated data - -Entry 47,16(a): No data available at the time. Recommended rate coefficient expression - -based on rxn C3H5+C2H5=C2H4+C3H6 (James, D.G.L. and Troughton, G.E.); this leads to disproportionation- -to-addition ratio of 0.03. The addition rate expression was derived using the geometric -mean rule for the rxns C3H5+C3H5-->adduct and CH3+CH3-->adduct. -NOTE: The Ea reported in the discussion is Ea/R=-132 Kelvin. However, in the table near - -the beginning of the review article (summarizing all reported data) and in the NIST -online database (kinetics.nist.gov), the reported Ea/R=-66 Kelvin. MRH took the -geometric mean of the allyl combination rxn (1.70x10^-11 * exp(132/T)) and methyl -combination rxn (1.68x10^-9 * T^-0.64) to obtain 1.69x10^-11 * T^-0.32 * exp(66/T). -Multiplying by 0.03 results in the recommended rate coefficient expression. -MRH 31-Aug-2009 - - ---- -527 ---- -[93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. -Literature review: C2H5 + C3H5 --> H2C=C=CH2 + C2H6 - -pg.259: Discussion on evaluated data - -Entry 47,17(a): The recommended rate expression is derived from the experimentally- - -determined disproportionation-to-addition ratio of 0.047 (James and Troughton) -and the addition rate rule (C2H5+C3H5-->adduct) calculated using the geometric -mean rule of the rxns C2H5+C2H5-->adduct and C3H5+C3H5-->adduct. -MRH 31-Aug-2009 - - ---- -528 ---- -[93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. -Literature review: C3H5 + C3H5 --> H2C=C=CH2 + C3H6 - -pg.271-272: Discussion on evaluated data - -Entry 47,47(b): The recommended rate expression is derived from the experimentally- - -determined disproportionation-to-addition ratio of 0.008 (James and Kambanis) -and the addition rate rule (C3H5+C3H5-->adduct) calculated based on the results -of Tulloch et al. -MRH 31-Aug-2009 - - ---- -529 ---- -[93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. -Literature review: iC3H7 + C3H5 --> H2C=C=CH2 + C3H8 - -pg.268: Discussion on evaluated data - -Entry 47,42(b): No data available at the time. Recommended rate coefficient expression - -based on rxn C3H5+C2H5=C2H4+C3H6 (James, D.G.L. and Troughton, G.E.) and values -for "alkyl radicals" (Gibian M.J. and Corley R.C.); this leads to disproportionation- -to-addition ratio of 0.04. The addition rate expression was derived using the geometric -mean rule for the rxns C3H5+C3H5-->adduct and iC3H7+iC3H7-->adduct. -MRH 31-Aug-2009 - - ---- -530 ---- -[93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. -Literature review: tC4H9 + C3H5 --> H2C=C=CH2 + iC4H10 - -pg.269: Discussion on evaluated data - -Entry 47,44(b): No data available at the time. Recommended rate coefficient expression - -based on "allyl and alkyl radicals behaving in similar fashion" (possibly referencing -Gibian M.J. and Corley R.C.); this leads to disproportionation- -to-addition ratio of 0.04. The addition rate expression was derived using the geometric -mean rule for the rxns C3H5+C3H5-->adduct and tC4H9+tC4H9-->adduct. -MRH 31-Aug-2009 - - ---- -531 ---- -[93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. -Literature review: C2H3 + C3H5 --> H2C=C=CH2 + C2H4 - -pg.261-262: Discussion on evaluated data - -Entry 47,19(d): No data available at the time. Author recommends a rate coefficient - -of 4x10^-12 cm3/molecule/s for the disproportionation rxn. -MRH 31-Aug-2009 - - ---- -532 ---- -[93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. -Literature review: OH + C3H5 --> H2C=C=CH2 + H2O - -pg.253: Discussion on evaluated data - -Entry 47,6(a): No data available at the time. Author recommends a rate coefficient - -of 1x10^-11 cm3/molecule/s, based on "comparable rxns". -MRH 31-Aug-2009 - - ---- -533 ---- -[98] Atkinson, R.; Baulch, D.L.; Cox, R.A.; Crowley, J.N.; Hampson, R.F., Jr.; Kerr, J.A.; Rossi, M.J.; Troe, J. "Summary of Evaluated Kinetic and Photochemical Data for Atmospheric Chemistry,", 2001. -Literature review: CH3CHOH + O2 --> CH3CHO + HO2 - -Recommended value is k298. This reference just gives a table of results, - -with no discussion on how the preferred numbers were arrived at. -MRH 31-Aug-2009 - -Divide the rate constant by 2 to account for symmetry of 2 (O2) and 1 (CH3CHOH, oxygen atom). The final result is 5.7209e+12 cm3/mol/s. -JDM 31-Mar-2010 - - ---- -534 ---- -[98] Atkinson, R.; Baulch, D.L.; Cox, R.A.; Crowley, J.N.; Hampson, R.F., Jr.; Kerr, J.A.; Rossi, M.J.; Troe, J. "Summary of Evaluated Kinetic and Photochemical Data for Atmospheric Chemistry,", 2001. -Literature review: CH2OH + O2 --> CH2O + HO2 - -Recommended value is k298. This reference just gives a table of results, - -with no discussion on how the preferred numbers were arrived at. -MRH 31-Aug-2009 - -Divide the rate constant by 2 to account for symmetry of 2 (O2) and 1 (CH2OH, oxygen atom). The final result is 2.92067e+12 cm3/mol/s. -JDM 31-Mar-2010 - ---- -535 ---- -[183] DeMore, W.B.; Sander, S.P.; Golden, D.M.; Hampson, R.F.; Kurylo, M.J.; Howard, C.J.; Ravishankara, A.R.; Kolb, C.E.; Molina, M.J.; JPL Publication 97-4 -Literature review: CH2OH + O2 --> CH2O + HO2 - -pg.62 D38: Discussion on evaluated data - -pg.22: Recommended A-factor and E/R parameter values - -MRH 1-Sept-2009 - -Divide the rate constant by 2 to account for symmetry of 2 (O2) and 1 (CH2OH, oxygen atom). The final result is 2.74001e+12 cm3/mol/s. -JDM 31-Mar-2010 - - ---- -536 ---- -[189] Grotheer, H.; Riekert, G.; Walter, D.; Just, T. Symp. Int. Combust. Proc. 1989, 22, 963. -Absolute value measured directly. Excitation: discharge, analysis: mass spectroscopy. Original uncertainty 3.0E+13 - -O + CH2OC --> OH + CH2O, O + CH3CHOH --> OH + CH3CHO - -O+CH2OH --> OH+CH2O && O+CH3CHOH --> OH+CH3CHO - -pg.963: Measured rate coefficients mentioned in abstract as k_2M and k_2E. - -pg.965-967: Discussion on measured rate coefficients. - -MRH 1-Sept-2009 - - ---- -537 ---- -[90] Tsang, W.; Journal of Physical and Chemical Reference Data (1987), 16(3), 471-508. -Literature review: CH2 + CH2OH --> CH3 + CH2O - -pg. 505: Discussion on evaluated data - -Entry 39,26 (b): CH2OH + CH2(triplet) --> CH3 + CH2O - -Author estimates the rate of disproportionation as 2.0x10^-12 cm3/molecule/s. No data at the time. - -MRH 30-Aug-2009 - - ---- -538 ---- -[190] Edelbuttel-Einhaus, J.; Hoyermann, K.; Rohde, G.; Seeba, J. Symp. Int. Combust. Proc. 1992, 22, 661. -Data derived from fitting to a complex mechanism. Excitation: discharge, analysis: mass spectroscopy. Original uncertainty 1.0E+13 - -H + CH3CHOH --> H2 + CH3CHO - -H+CH3CHOH --> H2+CH3CHO - -pg.661: Measured rate coefficient mentioned in abstract as k6. - -pg.665-666: Discussion on measured rate coefficient. The reported rate coefficient is - -for H+CH3CHOH --> products, making this an UPPER LIMIT. The rate coefficient -was calculated based on the rate coefficient of the rxn C2H5+H --> CH3+CH3; the -value the authors used was 3.6x10^13 cm3/mol/s. -MRH 1-Sept-2009 - - ---- -539 ---- -[90] Tsang, W.; Journal of Physical and Chemical Reference Data (1987), 16(3), 471-508. -Literature review: H + CH2OH --> H2 + CH2O - -pg. 496-497: Discussion on evaluated data - -Entry 39,4 (a): CH2OH + H --> H2 + CH2O - -Author estimates disproportionation rate will be faster than the H+C2H5=H2+C2H4 reaction - -and reports rate coefficient as 1.0x10^-11 cm3/molecule/s. No data at the time. -MRH 30-Aug-2009 - - ---- -540 ---- -[191] Pagsberg, P.; Munk, J.; Sillesen, A.; Anastasi, C. Chem. Phys. Lett. 1988, 146, 375. -Absolute value measured directly. Excitatio: electron beam, analysis: Vis-UV absorption. - -CH2OH + CH3 --> CH2O + CH4 - -pg.378 Table 2: Formation and decay rates of CH2OH, CH3, and OH observed by pulse radiolysis of - -gas mixtures of varying composition. Chemical composition of systems A-E as in Table 1. -The authors note below Table 2 that the reported rate coefficient for CH3+CH2OH is an - -"adjustment of model to reproduce the observed decay rates of CH3 and CH2OH". -MRH is skeptical of data, as this specific rxn is not directly referenced in the article, - -nor do the authors address whether other channels besides -->CH4+CH2O exist / are significant. -The value of A in the database is consistent with that reported in Table 2. -MRH 1-Sept-2009 - - ---- -541 ---- -[90] Tsang, W.; Journal of Physical and Chemical Reference Data (1987), 16(3), 471-508. -Literature review: CH3 + CH2OH --> CH4 + CH2O - -pg. 500-501: Discussion on evaluated data - -Entry 39,16 (b): CH2OH + CH3 --> CH4 + CH2O - -Author estimates ratio of disproportionation rate to addition rate to be 0.2, - -namely 4x10^-12 cm3/molecule/s. No data at the time. -MRH 30-Aug-2009 - - ---- -542 ---- -[90] Tsang, W.; Journal of Physical and Chemical Reference Data (1987), 16(3), 471-508. -Literature review: C2H5 + CH2OH --> C2H6 + CH2O - -pg. 502: Discussion on evaluated data - -Entry 39,17 (b): C2H5 + CH2OH --> C2H6 + CH2O - -Author estimates the disproportionation rate coefficient as 4x10^-12 cm3/molecule/s. - -No data at the time. -MRH 30-Aug-2009 - - ---- -543 ---- -[93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. -Literature review: C3H5 + CH2OH --> CH2O + C3H6 - -pg.267: Discussion on evaluated data - -Entry 47,39: No data available at the time. Author notes that combination of these two - -reactants will form 3-butene-1-ol which should decompose under combustion conditions -to form C3H6 + CH2O (same products). The author therefore recommends a rate -coefficient of 3x10^-11 cm3/molecule/s. -MRH 31-Aug-2009 - - ---- -544 ---- -[90] Tsang, W.; Journal of Physical and Chemical Reference Data (1987), 16(3), 471-508. -Literature review: CH2OH + CH2OH --> CH3OH + CH2O - -pg. 506: Discussion on evaluated data - -Entry 39,39 (b): CH2OH + CH2OH --> CH3OH + CH2O - -Meier, et al. (1985) measured the rate of addition + disproportionation. Tsang estimates - -a disproportionation to combination ratio of 0.5 -NOTE: Rate coefficient given in table at beginning of reference (summarizing all data - -presented) gives k_a+b = 2.4x10^-11, leading to k_b = 8x10^-12. NIST's online -database (kinetics.nist.gov) reports this number as well. However, the discussion -on pg. 506 suggests k_a+b = 1.5x10^-11, leading to k_b = 5x10^-12. -MRH 30-Aug-2009 - -*** NEED TO INVESTIGATE *** - - ---- -545 ---- -[91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. -Literature review: CH2OH + i-C3H7 = C3H8 + CH2O - -pg. 945: Discussion on evaluated data - -Entry 42,39 (b): No data available at the time. Author suggests rate coefficient based - -on rxn C2H5+i-C3H7=C3H8+C2H4, namely 3.9x10^-12 cm3/molecule/s -MRH 30-Aug-2009 - - ---- -546 ---- -[92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. -Literature review: t-C4H9 + CH2OH = CH2O + i-C4H10 - -pg. 44: Discussion on evaluated data - -Entry 44,39 (a): No data available at the time. Author estimates the addition rxn rate - -coefficient based on the rate for t-C4H9+C2H5-->adduct. The author uses a -disproportionation-to-addition ratio of 0.52 to obtain the reported rate coefficient -expression. -*** NOTE: Previous value in RMG was for k_c (the addition rxn). I have changed it to match - -the rate for the disproportionation rxn. *** -MRH 30-Aug-2009 - - ---- -547 ---- -[90] Tsang, W.; Journal of Physical and Chemical Reference Data (1987), 16(3), 471-508. -Literature review: CH2OH + C2H3 --> C2H4 + CH2O - -pg. 503: Discussion on evaluated data - -Entry 39,19 (a): CH2OH + C2H3 --> C2H4 + CH2O - -Author suggests a disproportionation rate coefficient near the collision limit, due - -to rxn's exothermicity. No data available at the time. -MRH 30-Aug-2009 - - ---- -548 ---- -[90] Tsang, W.; Journal of Physical and Chemical Reference Data (1987), 16(3), 471-508. -Literature review: C2H + CH2OH --> C2H2 + CH2O - -pg. 504: Discussion on evaluated data - -Entry 39,21 (a): CH2OH + C2H --> C2H2 + CH2O - -Author suggest a disproportionation rate coefficient of 6.0x10^-11 cm3/molecule/s, due - -to very exothermic rxn. No data available at the time. -MRH 30-Aug-2009 - - ---- -549 ---- -[90] Tsang, W.; Journal of Physical and Chemical Reference Data (1987), 16(3), 471-508. -Literature review: HCO + CH2OH --> CH2O + CH2O - -pg. 500: Discussion on evaluated data - -Entry 39,15 (b): CH2OH + HCO --> 2 CH2O - -Author estimates a disproportionation rate coefficient of 3x10^-11 cm3/molecule/s. - -No data available at the time. -MRH 30-Aug-2009 - - ---- -550 ---- -[90] Tsang, W.; Journal of Physical and Chemical Reference Data (1987), 16(3), 471-508. -Literature review: OH + CH2OH --> H2O + CH2O - -pg. 497: Discussion on evaluated data - -Entry 39,6: CH2OH + OH --> H2O + CH2O - -Author estimates a disproportionation rate coefficient of 4x10^-11 cm3/molecule/s. - -No data available at the time. -MRH 30-Aug-2009 - - ---- -551 ---- -[90] Tsang, W.; Journal of Physical and Chemical Reference Data (1987), 16(3), 471-508. -Literature review: CH3O + CH2OH --> CH3OH + CH2O - -pg. 505: Discussion on evaluated data - -Entry 39,24: CH2OH + CH3O --> CH3OH + CH2O - -Author estimates a disproportionation rate coefficient of 4x10^-11 cm3/molecule/s. - -No data available at the time. -MRH 30-Aug-2009 - - ---- -552 ---- -[90] Tsang, W.; Journal of Physical and Chemical Reference Data (1987), 16(3), 471-508. -Literature review: HO2 + CH2OH --> CH3OH + H2O2 - -pg. 498: Discussion on evaluated data - -Entry 39,7: CH2OH + HO2 --> H2O2 + CH2O - -Author recommends a disproportionation rate coefficient of 2x10^-11 cm3/molecules/s. - -No data available at the time. -MRH 30-Aug-2009 - ---- -600 ---- -(Essentially) Pressure-independent rate coefficient for CH3CHOH + O2 = HO2 + CH3CHO [Zador2009]_. - -Authors computed the following PES: - Entrance channel: CH3CHOH+O2 - Product channels: CH3CHO+HO2, CH2CHOH+HO2, 2-oxiranol+OH - Wells: CH3CH(OO)OH, CH3CH(OOH)O, CH2CH(OOH)OH, CH3CHO--HO2 (hydrogen-bonding) -Geometry optimizations and IRC scans were done using B3LYP/6-311++G(d,p). Single-point energies were computed using - RQCISD(T)/cc-pV(INF)Z. For stationary points with large T1 diagnostics, CASPT2 and MRCI with Davidson corrections - were employed. -The rate coefficients were computed using RRKM/ME techniques developed by Miller and Klippenstein. Low-frequency - torsional modes were treated as hindered rotors using Pitzer-Gwinn; the scan was performed at B3LYP/6-311++G(d,p) and fit - to a Fourier series. An asymmetric Eckart tunneling correction was employed. A simple exponential-down model was used, - where = 100 * (T/298) cm-1. Lennard-Jones parameters for the C2H5O3 isomers were assumed to be sigma = 4.31 Angstroms - and epsilon/kB = 297 K. -The authors solved the PES using VRC-TST, with the following exceptions, in Variflex: - - The TS between CH3CH(OO)OH and CH3CHO--HO2 was treated as the product channel CH3CHO+HO2 - - The CH3CHO--HO2 well, and its TS to the product channel CH3CHO+HO2, were not included - - The CH3CH(OOH)O well, and its TS to the well CH3CH(OO)OH, were not included -The authors calculated k1,zero (collisionless) and k1,inf (high-pressure-limit) over the range 250-1000 K. - The two rate coefficients were similar over most of the temperature range, suggesting a pressure-independent rate - coefficient is adequate. The value reported in RMG is the high-pressure limit. -The authors conclude that the CH3CHO+HO2 product channel dominates at all temperatures and pressures. Hence, the - entire computed k1,inf is assigned to the reaction CH3CHOH+O2=HO2+CH3CHO. Furthermore, the authors detected a strong - signal from the m/z = 44 PIE scan; they concluded this was due to the CH3CHO and CH2CHOH isomers. -This rate coefficient recommendation is up to 3x slower than the previous RMG-employed recommendation, over the valid - temperature range. - -12-OCT-2010 amendement (MRH): Divided pre-exponential A factor by 2 (to account for symmetry of oxygen). - -.. [Zador2009] J. Zador, R.X. Fernandes, Y. Georgievskii, G. Meloni, C.A. Taatjes, J.A. Miller - "The reaction of hydroxyethyl radicals with O2: A theoretical analysis of experimental product study" - Proc. Combust. Inst. 32 (2009) 271-277 diff --git a/output/RMG_database/kinetics_groups/Disproportionation/dictionary.txt b/output/RMG_database/kinetics_groups/Disproportionation/dictionary.txt deleted file mode 100755 index 17ec2edee9..0000000000 --- a/output/RMG_database/kinetics_groups/Disproportionation/dictionary.txt +++ /dev/null @@ -1,669 +0,0 @@ -// JS, remove O2d, it is considered in a new reaction family: Disproportionation_O2d -// JS, change y_1centerbirad definition, so that it wont have CO as child, Aug 22, 2003 - -Y_rad_birad -Union {Y_1centerbirad, Y_rad} - -// Y_2centeradjbirad -// 1 *1 {Os, Ct, Ss} 1 {2,{S,T}} -// 2 {Os, Ct, Ss} 1 {1,{S,T}} - -C2b -1 *1 C 1 {2,T} -2 C 1 {1,T} - -O2_birad -1 *1 O 1 {2,S} -2 O 1 {1,S} - -Y_1centerbirad -1 *1 {Cs,Cd,O,S} 2T - -O_atom_triplet -1 *1 O 2T - -CH2_triplet -1 *1 C 2T {2,S}, {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -Y_rad -1 *1 R 1 - -H_rad -1 *1 H 1 - -Cs_rad -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -C_methyl -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C_pri_rad -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H2/Cs -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H2/Cd -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cd 0 {1,S} - -C_rad/H2/Ct -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Ct 0 {1,S} - -C_rad/H2/Cb -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cb 0 {1,S} - -C_rad/H2/CO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 CO 0 {1,S} - -C_rad/H2/O -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} - -C_sec_rad -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H/NonDeC -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/NonDeO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 O 0 {1,S} -4 {Cs,O,S} 0 {1,S} - -C_rad/H/CsO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 O 0 {1,S} - -C_rad/H/O2 -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 O 0 {1,S} -4 O 0 {1,S} - -C_rad/H/NonDeS -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 S 0 {1,S} -4 {Cs,S} 0 {1,S} - -C_rad/H/CsS -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 S 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/S2 -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 S 0 {1,S} -4 S 0 {1,S} - -C_rad/H/OneDe -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O,S} 0 {1,S} - -C_rad/H/OneDeC -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/OneDeO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} - -C_rad/H/TwoDe -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -C_ter_rad -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {R!H} 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/NonDeC -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cs,O,S} 0 {1,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} - -C_rad/Cs3 -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/NDMustO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 O 0 {1,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} - -C_rad/OneDe -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} - -C_rad/Cs2 -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/ODMustO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 O 0 {1,S} -4 {Cs,O,S} 0 {1,S} - -C_rad/TwoDe -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O,S} 0 {1,S} - -C_rad/Cs -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -C_rad/TDMustO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} - -C_rad/ThreeDe -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_rad -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -Cd_pri_rad -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -Cd_sec_rad -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {R!H} 0 {1,S} - -Cd_rad/NonDeC -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cs 0 {1,S} - -Cd_rad/NonDeO -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 O 0 {1,S} - -Cd_rad/OneDe -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Ct_rad -1 *1 C 1 {2,T} -2 C 0 {1,T} - -Cb_rad -1 *1 Cb 1 {2,B}, {3,B} -2 {Cb,Cbf} 0 {1,B} -3 {Cb,Cbf} 0 {1,B} - -CO_rad -1 *1 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 R 0 {1,S} - -CO_pri_rad -1 *1 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 H 0 {1,S} - -CO_sec_rad -1 *1 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {R!H} 0 {1,S} - -CO_rad/NonDe -1 *1 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cs,O,S} 0 {1,S} - -CO_rad/OneDe -1 *1 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -O_rad -1 *1 O 1 {2,S} -2 R 0 {1,S} - -O_pri_rad -1 *1 O 1 {2,S} -2 H 0 {1,S} - -O_sec_rad -1 *1 O 1 {2,S} -2 {R!H} 0 {1,S} - -O_rad/NonDeC -1 *1 O 1 {2,S} -2 Cs 0 {1,S} - -O_rad/NonDeO -1 *1 O 1 {2,S} -2 O 0 {1,S} - -O_rad/OneDe -1 *1 O 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -S_rad -1 *1 S 1 {2,S} -2 R 0 {1,S} - -S_pri_rad -1 *1 S 1 {2,S} -2 H 0 {1,S} - -S_sec_rad -1 *1 S 1 {2,S} -2 {R!H} 0 {1,S} - -S_rad/NonDeC -1 *1 S 1 {2,S} -2 Cs 0 {1,S} - -S_rad/NonDeS -1 *1 S 1 {2,S} -2 S 0 {1,S} - -S_rad/OneDe -1 *1 S 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -XH_Rrad -1. *2 {R!H} 0 {2,S}, {3,S} -2. *3 {R!H} 1 {1,S} -3. *4 H 0 {1,S} - -Cmethyl_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. H 0 {1,S} - -Cmethyl_Csrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. H 0 {1,S} - -Cmethyl_Cdrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. H 0 {1,S} - -Cmethyl_COrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. H 0 {1,S} - -Cmethyl_Orad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. H 0 {1,S} - -Cmethyl_Srad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 S 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. H 0 {1,S} - -Cpri_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {R!H} 0 {1,S} - -C/H2/Nd_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cs,O,S} 0 {1,S} - -C/H2/Nd_Csrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cs,O,S} 0 {1,S} - -C/H2/Nd_Cdrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cs,O,S} 0 {1,S} - -C/H2/Nd_COrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cs,O,S} 0 {1,S} - -C/H2/Nd_Orad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cs,O,S} 0 {1,S} - -C/H2/De_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H2/De_Csrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H2/De_Cdrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H2/De_COrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H2/De_Orad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -Csec_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} -4. {R!H} 0 {1,S} -5. {R!H} 0 {1,S} - -C/H/NdNd_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O,S} 0 {1,S} -5. {Cs,O,S} 0 {1,S} - -C/H/NdNd_Csrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O,S} 0 {1,S} -5. {Cs,O,S} 0 {1,S} - -C/H/NdNd_Cdrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O,S} 0 {1,S} -5. {Cs,O,S} 0 {1,S} - -C/H/NdNd_COrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O,S} 0 {1,S} -5. {Cs,O,S} 0 {1,S} - -C/H/NdNd_Orad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O,S} 0 {1,S} -5. {Cs,O,S} 0 {1,S} - -C/H/NdDe_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O,S} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/NdDe_Csrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O,S} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/NdDe_Cdrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O,S} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/NdDe_COrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O,S} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/NdDe_Orad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O,S} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/DeDe_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} -4. {Cd,Ct,Cb,CO} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/DeDe_Csrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} -4. {Cd,Ct,Cb,CO} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/DeDe_Cdrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} -4. {Cd,Ct,Cb,CO} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/DeDe_COrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} -4. {Cd,Ct,Cb,CO} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/DeDe_Orad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} -4. {Cd,Ct,Cb,CO} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -Cdpri_Rrad -1. *2 Cd 0 {2,S}, {3,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} - -Cdpri_Csrad -1. *2 Cd 0 {2,S}, {3,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} - -Cdpri_Cdrad -1. *2 Cd 0 {2,S}, {3,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} - -Cdpri_COrad -1. *2 Cd 0 {2,S}, {3,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} - -Cdpri_Orad -1. *2 Cd 0 {2,S}, {3,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} - -COpri_Rrad -1. *2 CO 0 {2,S}, {3,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} - -COpri_Csrad -1. *2 CO 0 {2,S}, {3,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} - -COpri_Cdrad -1. *2 CO 0 {2,S}, {3,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} - -COpri_COrad -1. *2 CO 0 {2,S}, {3,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} - -COpri_Orad -1. *2 CO 0 {2,S}, {3,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} - -O_Rrad -1. *2 O 0 {2,S}, {3,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} - -O_Csrad -1. *2 O 0 {2,S}, {3,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} - -O_Cdrad -1. *2 O 0 {2,S}, {3,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} - -O_COrad -1. *2 O 0 {2,S}, {3,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} - -O_Orad -1. *2 O 0 {2,S}, {3,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} - -S_Rrad -1. *2 S 0 {2,S}, {3,S} -2. *3 {Cs,Cd,S} 1 {1,S} -3. *4 H 0 {1,S} - -S_Csrad -1. *2 S 0 {2,S}, {3,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} - -S_Cdrad -1. *2 S 0 {2,S}, {3,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} - -S_Srad -1. *2 S 0 {2,S}, {3,S} -2. *3 S 1 {1,S} -3. *4 H 0 {1,S} diff --git a/output/RMG_database/kinetics_groups/Disproportionation/forbiddenGroups.txt b/output/RMG_database/kinetics_groups/Disproportionation/forbiddenGroups.txt deleted file mode 100644 index d808c06fd3..0000000000 --- a/output/RMG_database/kinetics_groups/Disproportionation/forbiddenGroups.txt +++ /dev/null @@ -1,8 +0,0 @@ -O_Orad -1. *2 O 0 {2,S}, {3,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} - -O2d -1 *2 O 0 {2,D} -2 *3 O 0 {1,D} \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/Disproportionation/rateLibrary.txt b/output/RMG_database/kinetics_groups/Disproportionation/rateLibrary.txt deleted file mode 100755 index 6f8146a8d5..0000000000 --- a/output/RMG_database/kinetics_groups/Disproportionation/rateLibrary.txt +++ /dev/null @@ -1,107 +0,0 @@ -// rate library for f09a: Disproportionation reaction -// original from rate_library_4.txt, Cath, 03/07/28 - -// JS, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// f09a_Disproportionation -// changing root number into 3e11, 0, 0 according to Wing Tsang . J. Phys. Chem. Ref. Data 1991, 20, 221-273, JS, july 27, 2003 -// add 10001 to give HO2. + R. -> O2 + HR, JS, july 27, 2003 - -// JS, Aug, 5, 2003 -// move the following rate constants of O2 + XH_Rrad into the new reaction family: Disproportionation_O2d -// move #: 487, 501, 513, 514, 533, 534, 535 - -// Catherina Wijaya thesis, pg 157 - -// [90] Tsang, W. J. Phys. Chem. Ref. Data 1987, 16, 471. -// [91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. -// [92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. -// [93] Tsang, W. J. Phys. Chem. Ref. Data 1991, 20, 221. -// [95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; -// Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. -// [189] Grotheer, H.; Riekert, G.; Walter, D.; Just, T. Symp. Int. Combust. Proc. 1989, 22, 963. -// [190] Edelbuttel-Einhaus, J.; Hoyermann, K.; Rohde, G.; Seeba, J. Symp. Int. Combust. Proc. 1992, 22, 661. -// [191] Pagsberg, P.; Munk, J.; Sillesen, A.; Anastasi, C. Chem. Phys. Lett. 1988, 146, 375. -// [A] Tycholiz, D.R.; Knight, A.R.; J. Am. Chem. Soc. 95 1973 - - -//No. Y_rad_birad XH_Rrad Temp. A n a E0 DA Dn Da DE0 Rank Comments -485. Y_rad_birad XH_Rrad 300-1500 3E+11 0 0 0 0 0 0 0 0 Default -488. CH2_triplet Cmethyl_Csrad 300-2500 3.01E+13 0 0 0 *2.0 0 0 0 4 Tsang [91] Literature review. -489. H_rad Cmethyl_Csrad 300-2500 3.61E+12 0 0 0 *2.0 0 0 0 4 Tsang [91] Literature review. -490. H_rad Cmethyl_Csrad 300-2500 1.81E+12 0 0 0 *3.0 0 0 0 4 Tsang [89] Literature review. -//491. C_methyl Cmethyl_Csrad 300-2500 9.41E+10 0.68 0 0 *1.5 0 0 0 4 Tsang [91] Literature review. -491. C_methyl Cmethyl_Csrad 300-2500 2.19E+14 -0.68 0 0 *1.1 0 0 0 4 Tsang [91] Literature review. -492. C_rad/H2/Cs Cmethyl_Csrad 300-2500 2.3E+13 -0.35 0 0 *1.1 0 0 0 4 Tsang [91] Literature review. -493. C_rad/H2/Cd Cmethyl_Csrad 300-2500 2.29E+13 -0.35 0 -0.13 *3.0 0 0 0 4 Tsang [93] Literature review. -494. C_rad/H2/O Cmethyl_Csrad 300-2500 2.89E+12 0 0 0 *5.0 0 0 0 4 Tsang [91] Literature review. -495. C_rad/H/NonDeC Cmethyl_Csrad 300-2500 2.11E+14 -0.70 0 0 *2.0 0 0 0 4 Tsang [91] Literature review. -496. C_rad/Cs3 Cmethyl_Csrad 300-2500 2.86E+15 -1.10 0 0 *1.7 0 0 0 4 Tsang [92] Literature review. -497. Cd_pri_rad Cmethyl_Csrad 300-2500 1.52E+14 -0.70 0 0 *1.5 0 0 0 4 Tsang [91] Literature review. -498. Ct_rad Cmethyl_Csrad 300-2500 3.61E+12 0 0 0 *2.0 0 0 0 4 Tsang [91] Literature review. -499. O_pri_rad Cmethyl_Csrad 300-2500 2.41E+13 0 0 0 *3.0 0 0 0 4 Tsang [91] Literature review. -500. H_rad Cmethyl_Orad 300-1000 1.81E+13 0 0 0 *3.16 0 0 0 4 Baulch et al [95] literature review. -502. CH2_triplet C/H2/Nd_Csrad 300-2500 1.81E+12 0 0 0 *5.0 0 0 0 4 Tsang [91] Literature review. -503. H_rad C/H2/Nd_Csrad 300-2500 1.81E+12 0 0 0 *2.0 0 0 0 4 Tsang [91] Literature review. -504. C_methyl C/H2/Nd_Csrad 300-2500 1.15E+13 -0.32 0 0 *1.7 0 0 0 4 Tsang [91] Literature review. -505. C_rad/H2/Cs C/H2/Nd_Csrad 300-2500 1.45E+12 0 0 0 *1.4 0 0 0 4 Tsang [91] Literature review. -506. C_rad/H2/Cd C/H2/Nd_Csrad 300-2500 1.45E+12 0 0 -0.13 *3.0 0 0 0 4 Tsang [93] Literature review. -507. C_rad/H2/O C/H2/Nd_Csrad 300-2500 4.82E+11 0 0 0 *3.0 0 0 0 4 Tsang [91] Literature review. -508. C_rad/H/NonDeC C/H2/Nd_Csrad 300-2500 5.13E+13 -0.35 0 0 *2.0 0 0 0 4 Tsang [91] Literature review. -509. C_rad/Cs3 C/H2/Nd_Csrad 300-2500 2.16E+14 -0.75 0 0 *2.0 0 0 0 4 Tsang [92] Literature review. -510. Cd_pri_rad C/H2/Nd_Csrad 300-2500 1.21E+12 0 0 0 *3.0 0 0 0 4 Tsang [91] Literature review. -511. Ct_rad C/H2/Nd_Csrad 300-2500 6.03E+12 0 0 0 *3.0 0 0 0 4 Tsang [91] Literature review. -512. O_pri_rad C/H2/Nd_Csrad 300-2500 2.41E+13 0 0 0 *3.0 0 0 0 4 Tsang [91] Literature review. -//514. CH2_triplet C/H/NdNd_Csrad 300-2500 6.03E+12 0 0 0 *3.0 0 0 0 4 Tsang [92] Literature review. C2H + iso-C4H9--> C2H2 + iso-C4H8 -514. Ct_rad C/H/NdNd_Csrad 300-2500 6.03E+12 0 0 0 *3.0 0 0 0 4 Tsang [92] Literature review. -515. H_rad C/H/NdNd_Csrad 300-2500 9.04E+11 0 0 0 *2.0 0 0 0 4 Tsang [92] Literature review. -516. C_methyl C/H/NdNd_Csrad 300-2500 6.02E+12 -0.32 0 0 *2.0 0 0 0 4 Tsang [92] Literature review. -517. C_rad/H2/Cs C/H/NdNd_Csrad 300-2500 8.43E+11 0 0 0 *2.0 0 0 0 4 Tsang [92] Literature review. -518. C_rad/H2/O C/H/NdNd_Csrad 300-2500 2.41E+11 0 0 0 *3.0 0 0 0 4 Tsang [92] Literature review. -519. C_rad/H2/Cd C/H/NdNd_Csrad 300-2500 7.83E+11 0 0 -0.13 *3.0 0 0 0 4 Tsang [93] Literature review. -520. C_rad/H/NonDeC C/H/NdNd_Csrad 300-2500 2.56E+13 -0.35 0 0 *2.0 0 0 0 4 Tsang [92] Literature review. -521. C_rad/Cs3 C/H/NdNd_Csrad 300-2500 1.08E+14 -0.75 0 0 *2.0 0 0 0 4 Tsang [92] Literature review. -522. Cd_pri_rad C/H/NdNd_Csrad 300-2500 8.43E+11 0 0 0 *4.0 0 0 0 4 Tsang [92] Literature review. -523. O_pri_rad C/H/NdNd_Csrad 300-2500 1.21E+13 0 0 0 *3.0 0 0 0 4 Tsang [92] Literature review. -525. H_rad Cdpri_Csrad 300-2500 1.81E+13 0 0 0 *3.0 0 0 0 4 Tsang [93] Literature review. -526. C_methyl Cdpri_Csrad 300-2500 3.01E+12 -0.32 0 -0.13 *3.0 0 0 0 4 Tsang [93] Literature review. -527. C_rad/H2/Cs Cdpri_Csrad 300-2500 9.64E+11 0 0 -0.13 *2.0 0 0 0 4 Tsang [93] Literature review. -528. C_rad/H2/Cd Cdpri_Csrad 300-2500 8.43E+10 0 0 -0.26 *2.5 0 0 0 4 Tsang [93] Literature review. -529. C_rad/H/NonDeC Cdpri_Csrad 300-2500 4.58E+12 -0.35 0 -0.13 *3.0 0 0 0 4 Tsang [93] Literature review. -530. C_rad/Cs3 Cdpri_Csrad 300-2500 2.89E+13 -0.75 0 -0.13 *3.0 0 0 0 4 Tsang [93] Literature review. -531. Cd_pri_rad Cdpri_Csrad 300-2500 2.41E+12 0 0 0 *3.0 0 0 0 4 Tsang [93] Literature review. -532. O_pri_rad Cdpri_Csrad 300-2500 6.03E+12 0 0 0 *3.0 0 0 0 4 Tsang [93] Literature review. -536. O_atom_triplet O_Csrad 298 9.04E+13 0 0 0 3.01E+13 0 0 0 3 Grotheer et al [189]. -537. CH2_triplet O_Csrad 300-2500 1.21E+12 0 0 0 *3.0 0 0 0 4 Tsang [90] Literature review. -538. H_rad O_Csrad 295 2.0E+13 0 0 0 1.0E+13 0 0 0 4 Edelbuttel-Einhaus et al [190]. -539. H_rad O_Csrad 300-2500 6.03E+12 0 0 0 *3.0 0 0 0 4 Tsang [90] Literature review. -540. C_methyl O_Csrad 298 8.49E+13 0 0 0 0 0 0 0 3 Pagsberg et al [191]. -541. C_methyl O_Csrad 300-2500 2.41E+12 0 0 0 *5.0 0 0 0 4 Tsang [90] Literature review. -542. C_rad/H2/Cs O_Csrad 300-2500 2.41E+12 0 0 0 *5.0 0 0 0 4 Tsang [90] Literature review. -543. C_rad/H2/Cd O_Csrad 300-2500 1.81E+13 0 0 0 *2.5 0 0 0 4 Tsang [93] Literature review. -544. C_rad/H2/O O_Csrad 300-2500 4.82E+12 0 0 0 *2.0 0 0 0 4 Tsang [90] Literature review. -545. C_rad/H/NonDeC O_Csrad 300-2500 2.35E+12 0 0 0 *5.0 0 0 0 4 Tsang [91] Literature review. -546. C_rad/Cs3 O_Csrad 300-2500 3.47E+14 -0.75 0 0 *3.0 0 0 0 4 Tsang [92] Literature review. -547. Cd_pri_rad O_Csrad 300-2500 3.01E+13 0 0 0 *2.5 0 0 0 4 Tsang [90] Literature review. -548. Ct_rad O_Csrad 300-2500 3.61E+13 0 0 0 *5.0 0 0 0 4 Tsang [90] Literature review. -549. CO_pri_rad O_Csrad 300-2500 1.81E+14 0 0 0 *3.0 0 0 0 4 Tsang [90] Literature review. -550. O_pri_rad O_Csrad 300-2500 2.41E+13 0 0 0 *2.0 0 0 0 4 Tsang [90] Literature review. -551. O_rad/NonDeC O_Csrad 300-2500 2.41E+13 0 0 0 *2.0 0 0 0 4 Tsang [90] Literature review. -552. O_rad/NonDeO O_Csrad 300-2500 1.21E+13 0 0 0 *2.0 0 0 0 4 Tsang [90] Literature review. -20001. O2_birad XH_Rrad 300-1500 3E+11 0 0 0 0 0 0 0 0 -//487. O2_birad Cmethyl_Csrad 700-2500 1.05833E+10 0 0 0 *3.0 0 0 0 4 Tsang [91] Literature review. -//501. O2_birad C/H2/Nd_Csrad 500-900 2.25825E+10 0 0 0 *3.0 0 0 0 4 Tsang [91] Literature review. -513. O2_birad C/H/NdNd_Csrad 600-1000 1.2044E+10 0 0 0 *5.0 0 0 0 4 Tsang [92] Literature review. -524. O2_birad Cdpri_Csrad 300-2500 6.022E+11 0 0 13.55 0 0 0 0 4 Tsang [93] Literature review. -533. O2_birad O_Csrad 298 5.7209E+12 0 0 0 *2.0 0 0 0 4 Atkinson et al [98] literature review. -534. O2_birad O_Csrad 298 2.92067E+12 0 0 0 *1.3 0 0 0 4 Atkinson et al [98] literature review. -535. O2_birad O_Csrad 200-300 2.74001E+12 0 0 0 *1.3 0 0 0.40 4 DeMore et al [183] literature review. -600. O2_birad O_Csrad 250-1000 2.3413E+11 0.3321 0 -1.0635 0 0 0 0 1 Zador et al. -553. S_rad/NonDeC Cmethyl_Srad 298 9.79E+11 0 0 0 0 0 0 0 4 Tycholiz et al [A]. -554. C_rad/H/CsS C/H2/Nd_Csrad 300-1500 3.37E-06 4.35 0 1.14 0 0 0 0 3 CAC calc CBS-QB3 1dhr - - -// These nodes were modified by AJ on Sept 20, 2011 using rates reported by Miyoshi in dx.doi.org/10.1021/jp112152n -487. O2_birad Cmethyl_Csrad 700-2500 7.23E+12 0 0 15.99 *3.0 0 0 0 4 [AJ] Miyoshi 2011 (Table 4, Node 'sp') dx.doi.org/10.1021/jp112152n -501. O2_birad C/H2/Nd_Csrad 500-900 4.5825E+12 0 0 14.85 *3.0 0 0 0 4 [AJ] Miyoshi 2011 (Table 4, Node 'ss') dx.doi.org/10.1021/jp112152n diff --git a/output/RMG_database/kinetics_groups/Disproportionation/reactionAdjList.txt b/output/RMG_database/kinetics_groups/Disproportionation/reactionAdjList.txt deleted file mode 100755 index 066570d13d..0000000000 --- a/output/RMG_database/kinetics_groups/Disproportionation/reactionAdjList.txt +++ /dev/null @@ -1,24 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 29, 2003 // -// // -////////////////////////////////////////////////////// - - -// f09 Disproportionation - -Y_rad_birad + XH_Rrad -> Y_H + X_R - -forward -reverse(f10): Molecular_Addition - -Actions 1 -(1) FORM_BOND {*1,S,*4} -(2) BREAK_BOND {*2,S,*4} -(3) CHANGE_BOND {*2,1,*3} -(4) LOSE_RADICAL {*1,1} -(5) LOSE_RADICAL {*3,1} - - diff --git a/output/RMG_database/kinetics_groups/Disproportionation/tree.txt b/output/RMG_database/kinetics_groups/Disproportionation/tree.txt deleted file mode 100755 index 86d4ddeca1..0000000000 --- a/output/RMG_database/kinetics_groups/Disproportionation/tree.txt +++ /dev/null @@ -1,126 +0,0 @@ -//disproportionation -//f09a_disproportionation -// JS, remove the O2b node to a new reaction families Disproportionation_O2d, Aug, 05, 2003 - -L1: Y_rad_birad -// L2: Y_2centeradjbirad -// L3: O2_birad -// L3: C2b - L2: Y_1centerbirad - L3: O_atom_triplet - L3: CH2_triplet - L2: Y_rad - L3: O2_birad - L3: C2b - L3: H_rad - L3: Cs_rad - L4: C_methyl - L4: C_pri_rad - L5: C_rad/H2/Cs - L5: C_rad/H2/Cd - L5: C_rad/H2/Ct - L5: C_rad/H2/Cb - L5: C_rad/H2/CO - L5: C_rad/H2/O - L4: C_sec_rad - L5: C_rad/H/NonDeC - L5: C_rad/H/NonDeO - L6: C_rad/H/CsO - L6: C_rad/H/O2 - L5: C_rad/H/NonDeS - L6: C_rad/H/CsS - L6: C_rad/H/S2 - L5: C_rad/H/OneDe - L6: C_rad/H/OneDeC - L6: C_rad/H/OneDeO - L5: C_rad/H/TwoDe - L4: C_ter_rad - L5: C_rad/NonDeC - L6: C_rad/Cs3 - L6: C_rad/NDMustO - L5: C_rad/OneDe - L6: C_rad/Cs2 - L6: C_rad/ODMustO - L5: C_rad/TwoDe - L6: C_rad/Cs - L6: C_rad/TDMustO - L5: C_rad/ThreeDe - L3: Cd_rad - L4: Cd_pri_rad - L4: Cd_sec_rad - L5: Cd_rad/NonDeC - L5: Cd_rad/NonDeO - L5: Cd_rad/OneDe - L3: Ct_rad - L3: Cb_rad - L3: CO_rad - L4: CO_pri_rad - L4: CO_sec_rad - L5: CO_rad/NonDe - L5: CO_rad/OneDe - L3: O_rad - L4: O_pri_rad - L4: O_sec_rad - L5: O_rad/NonDeC - L5: O_rad/NonDeO - L5: O_rad/OneDe - L3: S_rad - L4: S_pri_rad - L4: S_sec_rad - L5: S_rad/NonDeC - L5: S_rad/NonDeS - L5: S_rad/OneDe - -L1 : XH_Rrad - L2 : Cmethyl_Rrad - L3 : Cmethyl_Csrad - L3 : Cmethyl_Cdrad - L3 : Cmethyl_COrad - L3 : Cmethyl_Orad - L3 : Cmethyl_Srad - L2 : Cpri_Rrad - L3 : C/H2/Nd_Rrad - L4 : C/H2/Nd_Csrad - L4 : C/H2/Nd_Cdrad - L4 : C/H2/Nd_COrad - L4 : C/H2/Nd_Orad - L3 : C/H2/De_Rrad - L4 : C/H2/De_Csrad - L4 : C/H2/De_Cdrad - L4 : C/H2/De_COrad - L4 : C/H2/De_Orad - L2 : Csec_Rrad - L3 : C/H/NdNd_Rrad - L4 : C/H/NdNd_Csrad - L4 : C/H/NdNd_Cdrad - L4 : C/H/NdNd_COrad - L4 : C/H/NdNd_Orad - L3 : C/H/NdDe_Rrad - L4 : C/H/NdDe_Csrad - L4 : C/H/NdDe_Cdrad - L4 : C/H/NdDe_COrad - L4 : C/H/NdDe_Orad - L3 : C/H/DeDe_Rrad - L4 : C/H/DeDe_Csrad - L4 : C/H/DeDe_Cdrad - L4 : C/H/DeDe_COrad - L4 : C/H/DeDe_Orad - L2 : Cdpri_Rrad - L3: Cdpri_Csrad - L3: Cdpri_Cdrad - L3: Cdpri_COrad - L3: Cdpri_Orad - L2 : COpri_Rrad - L3: COpri_Csrad - L3: COpri_Cdrad - L3: COpri_COrad - L3: COpri_Orad - L2 : O_Rrad - L3 : O_Csrad - L3 : O_Cdrad - L3 : O_COrad - L3 : O_Orad - L2 : S_Rrad - L3 : S_Csrad - L3 : S_Cdrad - L3 : S_Srad diff --git a/output/RMG_database/kinetics_groups/HO2_Elimination_from_PeroxyRadical/comments.rst b/output/RMG_database/kinetics_groups/HO2_Elimination_from_PeroxyRadical/comments.rst deleted file mode 100644 index 2de2467fd6..0000000000 --- a/output/RMG_database/kinetics_groups/HO2_Elimination_from_PeroxyRadical/comments.rst +++ /dev/null @@ -1,85 +0,0 @@ -General comments go at the top of the file, - -------- -General -------- -or in a section(s) titled 'General' - -.. the ID must match those in the rateLibrary AS A STRING (ie. '2' is different from '02') - ---- -845 ---- -MRH CBS-QB3 calculations for the reaction CH3-CH(OO)-CH=CH2 => CH2=CH-CH=CH2 + HO2 - -Previous RMG estimate for this reaction was an "Average of average" estimate. This reaction was of -interest to MRH/MHS because the butanol model was sensitive to CH3-*CH-CH=CHOH => CH2=CH-CH=CHOH + HO2. -The high-p limit kinetics were necessary to estimate a k(T,P) for this PES. MRH could not find a -stable TS geometry for the exact reaction. Instead, I removed the OH group and found -a stable TS for that reaction (the titled reaction for this node). - -Reactant: 3 hindered rotors were considered (the -OO, -CH3, and -CH=CH2 torsions) -TS: 0 hindered rotors were considered (MRH attempted to treat the -CH=CH2 torsion as a hindered rotor, - but with no luck. The complete 360 degree spin would interfere with the HO2 elimination). -Product: 1 hindered rotor was considered (the -CH=CH2 torsion of 1,3-butadiene) - -All external symmetry numbers were set equal to one, with the exception of 1,3-butadience which was set to two. -The k(T) was calculated from 600 - 2000 K, in 200 K intervals, and the fitted Arrhenius expression from CanTherm was: -k(T) = 2.476e+06 * (T/1K)^1.829 * exp(-24.247 kcal/mol / RT) cm3/mol/s. MRH divided this rate coefficient by -three to account for the reaction path degeneracy, yielding the value stored in the rateLibrary. - ---- -846 ---- -MRH approximation for the general R2OO_2H_HDe node - -MRH computed the rate coefficient for the reaction CH3-CH(OO)-CH=CH2 => CH2=CH-CH=CH2 + HO2 (see node 845). -The difference between the R2OO_2H_HDe and CH3CH(OO)CHCH2 nodes is defining the delocalized group (in the -case of the CH3CH(OO)CHCH2 node, the -CH=CH2 functional group). MRH thinks using the kinetics for node 845 -in the event node 846 is hit is reasonable, considering this part of the molecule does not play a role in the -TS (and it is certainly better than leaving RMG to estimate via "Average of Average"). - ---- -847 ---- -MRH CBS-QB3 calculations for the reaction CH3-CH(OO)-OH => CH3-CH=O + HO2 - -Previous RMG estimate for this reaction was zero (RMG only allowed HO2 direct elimination -to occur for species with the structure H-C-C-O-O* ... note the atom next to the hydrogen -had to be a carbon). - -MRH calculated the rate coefficient using the CBS-QB3 method. 1-d hindered rotor -corrections were applied and NO tunneling correction. The reason no tunneling correction -was applied is that the TS is lower in energy than the products, CH3CHO + HO2. - -da Silva, Bozzelli, Liang, and Farrell (dx.doi.org/10.1021/jp903210a) recently studied -this reaction system (ethanol + O2). In their calculations (G3B3), they determined a stable -adduct existed between the reactant CH3CH(OO)OH and the products CH3CHO+HO2. The adduct is -stable due to H-bonding. MRH believes his TS is for the reactant to the adduct. -Comparing my k(T) with the da Silva et al. k(T) (for forming the adduct) shows very -good agreement, within a factor of 2 over the valid temperature range. Furthermore, the -da Silva et al. calculation for the adduct going to product is between 2-5 orders of -magnitude faster than reactants going to adduct, so it is a reasonable assumption -to say the first step is the rate-limiting step. - -Comparing my k(T) with two other sources for this reaction (dx.doi.org/10.1021/jp003762p and -I. Hermans et al., AIAA Journal, 109, (2005), 4303-4311) also shows good agreement. -I am setting the rank for this k(T) to be 5 (very uncertain). - -Information on the TST calculations: - -Reactant: 3 hindered rotors were considered (the -OO, -CH3, and -OH torsions) -TS: 1 hindered rotor was considered (the -CH3 torsion) -Product: 1 hindered rotor was considered (the -CH3 torsion of CH3CHO) - -All external symmetry numbers were set equal to one. -The k(T) was calculated from 600 - 2000 K, in 200 K intervals, and the fitted Arrhenius expression from CanTherm was: -k(T) = 6.813e+10 * (T/1K)^0.493 * exp(-11.894 kcal/mol / RT) cm3/mol/s. - ---- -848 ---- -MRH approximation for the general OCOO node - -In the event RMG finds any H-O-C-O-O* connection, the kinetics used for direct -HO2 elimination will be those of CH3-CH(OO)-OH => CH3CHO + HO2. diff --git a/output/RMG_database/kinetics_groups/HO2_Elimination_from_PeroxyRadical/dictionary.txt b/output/RMG_database/kinetics_groups/HO2_Elimination_from_PeroxyRadical/dictionary.txt deleted file mode 100755 index b9dc3bf7cd..0000000000 --- a/output/RMG_database/kinetics_groups/HO2_Elimination_from_PeroxyRadical/dictionary.txt +++ /dev/null @@ -1,507 +0,0 @@ -//HO2 elimination from peroxy radical - -R2OO -1 *1 {C,Si,O} 0 {2,S}, {5,S} -2 *2 {C,Si} 0 {1,S}, {3,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} - -R2OO_2H -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} - -R2OO_2H_2H -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {2,S} -9 H 0 {2,S} - -R2OO_2H_HNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_2H_HDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_2H_HCd -1 *1 C 0 {2,S} {5,S} {6,S} {7,S} -2 *2 C 0 {1,S} {3,S} {8,S} {9,S} -3 *3 O 0 {2,S} {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {2,S} -9 C 0 {2,S} {10,D} -10 C 0 {9,D} - -R2OO_2H_NdNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_2H_NdDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_2H_DeDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 {Cd,Ct,Cb,CO} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_HNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cs,O} 0 {1,S} - -R2OO_HNd_2H -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cs,O} 0 {1,S} -8 H 0 {2,S} -9 H 0 {2,S} - -R2OO_HNd_HNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cs,O} 0 {1,S} -8 H 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_HNd_HDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cs,O} 0 {1,S} -8 H 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_HNd_NdNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cs,O} 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_HNd_NdDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cs,O} 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_HNd_DeDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cs,O} 0 {1,S} -8 {Cd,Ct,Cb,CO} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_HDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} - - -R2OO_HDe_2H -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 H 0 {2,S} -9 H 0 {2,S} - -R2OO_HDe_HNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 H 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_HDe_HDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 H 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_HDe_NdNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_HDe_NdDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_HDe_DeDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 {Cd,Ct,Cb,CO} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_NdNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cs,O} 0 {1,S} - - -R2OO_NdNd_2H -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cs,O} 0 {1,S} -8 H 0 {2,S} -9 H 0 {2,S} - -R2OO_NdNd_HNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cs,O} 0 {1,S} -8 H 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_NdNd_HDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cs,O} 0 {1,S} -8 H 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_NdNd_NdNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cs,O} 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_NdNd_NdDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cs,O} 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_NdNd_DeDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cs,O} 0 {1,S} -8 {Cd,Ct,Cb,CO} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_NdDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} - - -R2OO_NdDe_2H -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 H 0 {2,S} -9 H 0 {2,S} - -R2OO_NdDe_HNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 H 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_NdDe_HDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 H 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_NdDe_NdNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_NdDe_NdDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_NdDe_DeDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 {Cd,Ct,Cb,CO} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_DeDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cd,Ct,Cb,CO} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} - - -R2OO_DeDe_2H -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cd,Ct,Cb,CO} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 H 0 {2,S} -9 H 0 {2,S} - -R2OO_DeDe_HNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cd,Ct,Cb,CO} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 H 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_DeDe_HDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cd,Ct,Cb,CO} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 H 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_DeDe_NdNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cd,Ct,Cb,CO} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_DeDe_NdDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cd,Ct,Cb,CO} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_DeDe_DeDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cd,Ct,Cb,CO} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 {Cd,Ct,Cb,CO} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_0H -1 *1 Cd 0 {2,S}, {5,S} -2 *2 C 0 {1,S}, {3,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} - -R2OO_0H_2H -1 *1 Cd 0 {2,S}, {5,S} -2 *2 C 0 {1,S}, {3,S}, {6,S}, {7,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {2,S} -7 H 0 {2,S} - -R2OO_O -1 *1 O 0 {2,S} {5,S} -2 *2 C 0 {1,S} {3,S} -3 *3 O 0 {2,S} {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} - -R2OO_O_HNd -1 *1 O 0 {2,S} {5,S} -2 *2 C 0 {1,S} {3,S} {6,S} {7,S} -3 *3 O 0 {2,S} {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {2,S} -7 C 0 {2,S} - diff --git a/output/RMG_database/kinetics_groups/HO2_Elimination_from_PeroxyRadical/rateLibrary.txt b/output/RMG_database/kinetics_groups/HO2_Elimination_from_PeroxyRadical/rateLibrary.txt deleted file mode 100755 index 8b948be1f6..0000000000 --- a/output/RMG_database/kinetics_groups/HO2_Elimination_from_PeroxyRadical/rateLibrary.txt +++ /dev/null @@ -1,41 +0,0 @@ -// rate library for f34: HO2 elimination from peroxy radical - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// f34 HO2 elimination from peroxy radical -// rate constants from rate_library_4.txt, cath, 03/07/28 - -// R2OO Temp. A n a E0 DA Dn Da DE0 Rank Comments -835. R2OO 300-1500 1E+10 1 0 30 0 0 0 0 0 -837. R2OO_HNd_2H 300-1500 4.79E+07 1.46 0 29.4 0 0 0 0 2 Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. -836. R2OO_2H_2H 300-1500 1.56E+07 1.69 0 29.8 0 0 0 0 2 Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. -838. R2OO_NdNd_2H 300-1500 5.06E+08 1.19 0 29.9 0 0 0 0 2 Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. -839. R2OO_2H_HNd 300-1500 9.79E+08 1.17 0 30.1 0 0 0 0 2 Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. -840. R2OO_HNd_HNd 300-1500 1.65E+09 1.01 0 29.6 0 0 0 0 2 Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. -841. R2OO_NdNd_HNd 300-1500 6.48E+10 0.57 0 29.9 0 0 0 0 2 Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. -842. R2OO_2H_NdNd 300-1500 7.48E+09 1.08 0 29.7 0 0 0 0 2 Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. -843. R2OO_HNd_NdNd 300-1500 8.11E+14 -0.78 0 30.4 0 0 0 0 2 Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. -844. R2OO_NdNd_NdNd 300-1500 3.10E+19 -1.78 0 31.7 0 0 0 0 2 Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. -845 R2OO_2H_HCd 600-2000 8.253E+05 1.829 0 24.247 *5 0 0 2 3 MRH CBS-QB3 calculations with 1d h.r. corrections. -846 R2OO_2H_HDe 600-2000 8.253E+05 1.829 0 24.247 *5 0 0 2 3 Same as node 845 (MRH assumption) -847 R2OO_O_HNd 600-2000 6.813E+10 0.493 0 11.894 *10 0 0 2 5 MRH CBS-QB3 calculations with 1d h.r. corrections. -848 R2OO_O 200-600 6.380E+12 0.0 0 11.400 *5 0 0 2 3 Hermans et al. 2005 (doi:10.1021/jp044080v) G2M calculations - -// Adding rate rules (849-858) for ROO = olefin + HO2 from -// High pressure rate rulesfor Alkuly+O2 reactions: 1 -// http://pubs.acs.org/doi/pdf/10.1021/jp2079204 -// Using CBS-QB3 w/1D-HR calculations (Table 4) -849. R2OO_2H_2H 300-1500 4.84E+6 1.67 0 29.7 0 0 0 0 2 pp, CBS-QB3 calculations, with hindered rotor treatment. -850. R2OO_2H_HNd 300-1500 1.36E+8 1.28 0 30.0 0 0 0 0 2 sp, CBS-QB3 calculations, with hindered rotor treatment. -851. R2OO_HNd_2H 300-1500 2.08E+8 1.25 0 29.6 0 0 0 0 2 ps, CBS-QB3 calculations, with hindered rotor treatment. -852. R2OO_2H_NdNd 300-1500 3.66E+1 0.62 0 30.1 0 0 0 0 2 tp, CBS-QB3 calculations, with hindered rotor treatment. -853. R2OO_NdNd_2H 300-1500 1.94E+8 1.27 0 29.6 0 0 0 0 2 pt, CBS-QB3 calculations, with hindered rotor treatment. -855. R2OO_HNd_HNd 300-1500 10.87E+10 0.8 0 29.9 0 0 0 0 2 ss ,Multiplied 1.5 to trans rate coefficient , CBS-QB3 calculations, with hindered rotor treatment. -856. R2OO_NdNd_HNd 300-1500 3.5E+10 0.71 0 30.1 0 0 0 0 2 st, CBS-QB3 calculations, with hindered rotor treatment. -857. R2OO_HNd_NdNd 300-1500 5.62E+10 0.58 0 29.6 0 0 0 0 2 ts, CBS-QB3 calculations, with hindered rotor treatment. -858. R2OO_NdNd_NdNd 300-1500 6.25E+12 0.02 0 30.7 0 0 0 0 2 tt, CBS-QB3 calculations, with hindered rotor treatment. - -// Adding rate rule for CdCOO* -869. R2OO_0H_2H 300-1500 3.63E+09 1.11 0 42.7 0 0 0 0 4 BMK/cbsb7, HO - diff --git a/output/RMG_database/kinetics_groups/HO2_Elimination_from_PeroxyRadical/reactionAdjList.txt b/output/RMG_database/kinetics_groups/HO2_Elimination_from_PeroxyRadical/reactionAdjList.txt deleted file mode 100755 index cdb84f36aa..0000000000 --- a/output/RMG_database/kinetics_groups/HO2_Elimination_from_PeroxyRadical/reactionAdjList.txt +++ /dev/null @@ -1,24 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan. 20, 2003 // -// // -////////////////////////////////////////////////////// - - -// f34 HO2 elimination from peroxy radical - -R2OO -> R=R + OOH - -forward -reverse: HO2_concerted_addition - -Actions 1 -(1) BREAK_BOND {*1,S,*5} -(2) BREAK_BOND {*2,S,*3} -(3) CHANGE_BOND {*1,1,*2} -(4) FORM_BOND {*4,S,*5} -(5) GAIN_RADICAL {*3,1} -(6) LOSE_RADICAL {*4,1} - diff --git a/output/RMG_database/kinetics_groups/HO2_Elimination_from_PeroxyRadical/tree.txt b/output/RMG_database/kinetics_groups/HO2_Elimination_from_PeroxyRadical/tree.txt deleted file mode 100755 index 79be84c9f7..0000000000 --- a/output/RMG_database/kinetics_groups/HO2_Elimination_from_PeroxyRadical/tree.txt +++ /dev/null @@ -1,61 +0,0 @@ -//HO2 elimination from peroxy radical - -//f34_ho2_elimination_from_peroxy - -// Legend -// R2OO indicates Ra(H)-Rb-O-O* -// First _ : groups attached to Ra, with exception of the ring (if only 1 the Ra has double bond) -// Second _ : groups attached to Rb, with exception of the ring (if only 1 then Rb has double bond) -// -// Nd : Non delocalized (i.e. Cs, O, S...) -// De : Delocalized (i.e. CO, Cd, Ct...) - - -L1: R2OO - L2: R2OO_2H - L3: R2OO_2H_2H - L3: R2OO_2H_HNd - L3: R2OO_2H_HDe - L4: R2OO_2H_HCd - L3: R2OO_2H_NdNd - L3: R2OO_2H_NdDe - L3: R2OO_2H_DeDe - L2: R2OO_HNd - L3: R2OO_HNd_2H - L3: R2OO_HNd_HNd - L3: R2OO_HNd_HDe - L3: R2OO_HNd_NdNd - L3: R2OO_HNd_NdDe - L3: R2OO_HNd_DeDe - L2: R2OO_HDe - L3: R2OO_HDe_2H - L3: R2OO_HDe_HNd - L3: R2OO_HDe_HDe - L3: R2OO_HDe_NdNd - L3: R2OO_HDe_NdDe - L3: R2OO_HDe_DeDe - L2: R2OO_NdNd - L3: R2OO_NdNd_2H - L3: R2OO_NdNd_HNd - L3: R2OO_NdNd_HDe - L3: R2OO_NdNd_NdNd - L3: R2OO_NdNd_NdDe - L3: R2OO_NdNd_DeDe - L2: R2OO_NdDe - L3: R2OO_NdDe_2H - L3: R2OO_NdDe_HNd - L3: R2OO_NdDe_HDe - L3: R2OO_NdDe_NdNd - L3: R2OO_NdDe_NdDe - L3: R2OO_NdDe_DeDe - L2: R2OO_DeDe - L3: R2OO_DeDe_2H - L3: R2OO_DeDe_HNd - L3: R2OO_DeDe_HDe - L3: R2OO_DeDe_NdNd - L3: R2OO_DeDe_NdDe - L3: R2OO_DeDe_DeDe - L2: R2OO_0H - L3: R2OO_0H_2H - L2: R2OO_O - L3: R2OO_O_HNd diff --git a/output/RMG_database/kinetics_groups/H_Abstraction/comments.rst b/output/RMG_database/kinetics_groups/H_Abstraction/comments.rst deleted file mode 100644 index 1ddcb32940..0000000000 --- a/output/RMG_database/kinetics_groups/H_Abstraction/comments.rst +++ /dev/null @@ -1,3724 +0,0 @@ -General comments go at the top of the file, - -------- -General -------- -or in a section(s) titled 'General' - -.. the ID must match those in the rateLibrary AS A STRING (ie. '2' is different from '02') - --- -0 --- -If a biradical CH2JJ can abstract from RCH4 to make RCH3J and CH3J -then a Y_rad CH3J should be able to abstract from RCH3J which means X_H needs -to include Xrad_H. I.e. you can abstract from a radical. To make this possible -a head node has been created X_H_or_Xrad_H which is a union of X_H and Xrad_H. -The kinetics for it have just been copied from X_H and are only defined for -abstraction by Y_rad_birad. I.e. the top level very approximate guess. - -Do better kinetics for this exist? Do we in fact use the reverse kinetics anyway? - --- -2 --- -[118] Dean, A.M. Development and application of Detailed Kinetic Mechanisms for Free Radical Systems. - --- -3 --- -[118] Dean, A.M. Development and application of Detailed Kinetic Mechanisms for Free Radical Systems. - --- -4 --- -[118] Dean, A.M. Development and application of Detailed Kinetic Mechanisms for Free Radical Systems. - --- -5 --- -[118] Dean, A.M. Development and application of Detailed Kinetic Mechanisms for Free Radical Systems. - --- -6 --- -[118] Dean, A.M. Development and application of Detailed Kinetic Mechanisms for Free Radical Systems. - --- -7 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -8 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -9 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -10 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -11 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -12 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -13 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -14 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -15 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -16 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -17 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -18 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -19 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -20 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -21 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -22 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -23 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -24 --- -Sumathy CBS-Q calculations. Rate expression per H atom. -Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - -Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - -ROH + H --> RO + H2 - -Verified by Karma James - - --- -25 --- -Sumathy CBS-Q calculations. Rate expression per H atom. -Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - -Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - -HCHO + H --> HCO + H2 - -Verified by Karma James - - --- -26 --- -Sumathy CBS-Q calculations. Rate expression per H atom. -Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - -Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - -RCHO + H --> RCO + H2 - -Verified by Karma James - - --- -27 --- -Sumathy CBS-Q calculations. Rate expression per H atom. -Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - -Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - -R2C=CH2 + H --> R2C=CH + H2 - -Verified by Karma James - - --- -28 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -29 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -30 --- -Sumathy CBS-Q calculations. Rate expression per H atom. -Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - -Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - -RCH=CR2 + H --> RC=CR2 + H2 - -Verified by Karma James - - --- -31 --- -Sumathy CBS-Q calculations. Rate expression per H atom. -Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - -Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - -R2C=CRCH3 + H --> R2C=CRCH2 + H2 - -Verified by Karma James - - --- -32 --- -Sumathy CBS-Q calculations. Rate expression per H atom. -Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - -Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - -RR2C=CRCH2R + H --> R2C=CRCHR + H2 - -Verified by Karma James - - --- -33 --- -Sumathy CBS-Q calculations. Rate expression per H atom. -Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - -Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - -RCCCH2R + H --> RCCCHR + H2 - -Verified by Karma James - - --- -34 --- -Sumathy CBS-Q calculations. Rate expression per H atom. -Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - -Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - -R2C=CRCHR2 + H --> R2C=CRCR2 + H2 - -Verified by Karma James - - --- -35 --- -Sumathy CBS-Q calculations. Rate expression per H atom. -Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - -Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - -RCCCHR2 + H --> RCCCR2 + H2 - -Verified by Karma James - - --- -36 --- -Sumathy CBS-Q calculations. Rate expression per H atom. -Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - -Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - -R2C=CH-CH2-CH=CR2 + H --> R2C=CH-CH-CH=CR2 + H2 - -Verified by Karma James - - --- -37 --- -Sumathy CBS-Q calculations. Rate expression per H atom. -Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - -Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - -R2C=CRCH=CR2 + H --> R2C=CRC=CR2 + H2 - -Verified by Karma James - - --- -38 --- -Sumathy CBS-Q calculations. Rate expression per H atom. -Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - -Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - -RCC-CH=CR2 + H --> RCC-C=CR2 + H2 - -Verified by Karma James - - --- -39 --- -Sumathy CBS-Q calculations. Rate expression per H atom. -Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - -Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - -RCCH + H --> RCC + H2 - -NOTE: There was a discrepancy in the rate values. The published values were: A = 1.30E+08, n = 1.88, - -E0 = 1.34E+04 - -RMG values: A=1.65E+08, n=1.85, E0= 26.52. - -Verified by Karma James - - --- -40 --- -Sumathy CBS-Q calculations. Rate expression per H atom. -Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - -Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - -RCCCH3 + H --> RCCCH2 + H2 - -Verified by Karma James - - --- -41 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -42 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -43 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -44 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -45 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -46 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -47 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -48 --- -Sumathy CBS-Q calculations. Rate expression per H atom. -Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - -Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - -RCOOOH + H --> RCOOO + H2 - -Verified by Karma James - - --- -49 --- -Sumathy CBS-Q calculations. Rate expression per H atom. - --- -50 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -Same reaction as #19. - -Saeys, M.; Reyniers, M.-F.; Marin, G.B.; Van Speybroeck, V.; Waroquier, M. J. Phys. Chem. A 2003, 107, 9147 - 9159. - -CH3 + CH4 --> CH4 + CH3 - -pg 9156 Table 6: Calculated and Experimental Activation Energies(kJ/mol) at 0 K, deltaE (0 k), - -for Three Families of Radical Reactions from Various Levels of Theory. - -From reference: E0 = 71.0/4.185 = 16.97, @ 0 K, from database: E0 = 19.0 @ 300 - 1500 K - -Experimental values from reference @ 0 K = 55.4 kJ/mol, 60.7 kJ/mol, 61.9 kJ/mol - - --- -51 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -52 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -53 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -54 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -55 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -56 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -57 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -58 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -59 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -60 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -61 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -62 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -63 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -64 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -65 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -66 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -67 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -68 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -69 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -70 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -71 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -72 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -73 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -74 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -75 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -76 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -77 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -78 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -79 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -80 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -81 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -82 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -83 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -84 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -85 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -86 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -87 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -88 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -89 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -90 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -91 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -92 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -93 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -94 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -95 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -96 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -97 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -98 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - --- -99 --- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -100 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -101 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -102 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -103 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -104 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -105 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -106 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -107 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -108 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -109 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -110 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -111 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -112 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -113 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -114 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -115 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -116 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -117 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -118 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -119 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -120 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -121 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -122 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -123 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -124 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -125 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -126 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -127 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -128 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -129 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -130 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -131 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -132 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -133 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -134 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -135 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -136 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -137 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -138 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -139 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -140 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -141 ---- -Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - ---- -142 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. http://dx.doi.org/10.1016/S0010-2180(01)00373-X - -Rate expressions for H atom abstraction from fuels. -pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:OH, Site: primary (a) -Verified by Karma James - -**HOWEVER** This entry should probably use the numbers for primary(d) not primary(a). -Primary(a) is for a primary on neopentane; primary(d) is for a primary on propane. -Richard West. (Updated accordingly). - -These numbers reported by Curran et al. were apparently taken from -N. Cohen, *Intl. J. Chem. Kinet.* 14 (1982), p. 1339 http://dx.doi.org/10.1002/kin.550141206 - -Rate expression is changed to per H.(divided by 3) -Yushi Suzuki - ---- -143 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -http://dx.doi.org/10.1016/S0010-2180(01)00373-X - -Rate expressions for H atom abstraction from fuels. -pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:OH, Site: secondary (b) - -Verified by Karma James - -These numbers reported by Curran et al. were apparently taken from -N. Cohen, *Intl. J. Chem. Kinet.* 14 (1982), p. 1339 http://dx.doi.org/10.1002/kin.550141206 - - -Rate expression is changed to per H.(divided by 2) -Yushi Suzuki - ---- -144 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -http://dx.doi.org/10.1016/S0010-2180(01)00373-X - -Rate expressions for H atom abstraction from fuels. -pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:OH, Site: tertiary (c) - -Verified by Karma James - -These numbers reported by Curran et al. were apparently taken from -N. Cohen, *Intl. J. Chem. Kinet.* 14 (1982), p. 1339 http://dx.doi.org/10.1002/kin.550141206 - ---- -145 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Rate expressions for H atom abstraction from fuels. - -pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:O, Site: primary (a) - -Verified by Karma James - -Rate expression is changed to per H.(divided by 9) -Yushi Suzuki - - ---- -146 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Rate expressions for H atom abstraction from fuels. - -pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:O, Site: secondary (b) - -Verified by Karma James - - -Rate expression is changed to per H.(divided by 2) -Yushi Suzuki - ---- -147 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Rate expressions for H atom abstraction from fuels. - -pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:O, Site: tertiary (c) - -Verified by Karma James - - -This rate parameter actually comes from following new mechanism for PRF. - -https://www-pls.llnl.gov/data/docs/science_and_technology/chemistry/combustion/prf_2d_mech.txt - -Yushi Suzuki - ---- -148 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Rate expressions for H atom abstraction from fuels. - -pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:HO2, Site: primary (a) -Verified by Karma James - -Rate expression is changed to per H.(divided by 9) -Yushi Suzuki - ---- -149 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Rate expressions for H atom abstraction from fuels. - -pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:HO2, Site: secondary (b) - -Verified by Karma James - -Rate expression is changed to per H.(divided by 2) -Yushi Suzuki - ---- -150 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Rate expressions for H atom abstraction from fuels. - -pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:HO2, Site: tertiary (c) - -Verified by Karma James - - ---- -151 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Rate expressions for H atom abstraction from fuels. - -pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:CH3O, Site: primary (a) - -Verified by Karma James - -Rate expression is changed to per H.(divided by 9) -Yushi Suzuki - ---- -152 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Rate expressions for H atom abstraction from fuels. - -pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:CH3O, Site: secondary (b) - -Verified by Karma James - -Rate expression is changed to per H.(divided by 2) -Yushi Suzuki - ---- -153 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Rate expressions for H atom abstraction from fuels. - -pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:CH3O, Site: tertiary (c) - -Verified by Karma James - - - ---- -154 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Rate expressions for H atom abstraction from fuels. - -pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:O2, Site: primary (a) - -Verified by Karma James - -Rate expression is changed to per H.(divided by 9) -Yushi Suzuki - ---- -155 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Rate expressions for H atom abstraction from fuels. - -pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:O2, Site: secondary (b) - -Verified by Karma James - -Rate expression is changed to per H.(divided by 2) -Yushi Suzuki - ---- -156 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Rate expressions for H atom abstraction from fuels. - -pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:O2, Site: tertiary (c) - -Verified by Karma James - - ---- -157 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -H2 + O2 --> H + HO2 C.D.W divided original rate expression by 2, to get rate expression per H atom. - -pg 1091, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 3,2. - -Verified by Karma James - -pg. 1109: Discussion of evaluated data - -Recommended value computed using reverse rate and thermodynamics - -MRH 28-Aug-2009 - - ---- -158 ---- -[119] Knyazev, V.D; Bencsura, A.; Stoliarov, S.I.; Slagle, I.R. J. Phys. Chem. 1996, 100, 11346. -H2 + C2H3 --> H + C2H4 C.D.W divided original rate expression by 2 ( from A = 9.45E+03), to get rate expression per H atom. - - ---- -159 ---- -[120] Mebel, A.M.; Morokuma, K.; Lin, M.C. J Chem. Phys. 1995, 103, 3440. -H2 + C2H3 --> H + C2H4 C.D.W divided original rate expression by 2, to get rate expression per H atom. - - ---- -160 ---- -[121] Weissman, M.A.; Benson, S.W. J. Phys. Chem. 1988, 92, 4080. -H2 + C2H3 --> H + C2H4 C.D.W divided original rate expression by 2 ( from A = 3.15E+09), to get rate expression per H atom. - - ---- -161 ---- -[94] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Frank, P.; Hayman, G,; Just, T.; Kerr, J.A.; Murrells, T.; Pilling, M.J.; -Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1994, 23, 847. - -H2 + C2H --> H + C2H2 C.D.W divided original rate expression by 2, to get rate expression per H atom. - -pg 863 Evaluated Kinetic Data for Combustion Modelling Supplement 1, Table 1. Bimolecular reactions - C2H Radical Reactions. - -Verified by Karma James - -pg.1013-1014: Discussion on evaluated data - -C2H+H2-->C2H2+H: Recommended rate coefficient is that reported by Koshi et al. Rate - -coefficient was computed for low temperatures, but extrapolation to higher temperatures -fits other reported data reasonably well. -MRH 31-Aug-2009 - - ---- -162 ---- -[122] Mebel, A.M.; Lin, M.C.; Yu, T.; Morokuma, K. J. Phys. Chem. A. 1997, 101, 3189. -H2 + phenyl --> H + benzene C.D.W divided original rate expression by 2 ( from A = 5.71E+04), to get rate expression per H atom. - - ---- -163 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -H2 + HCO --> H + CH2O C.D.W divided original rate expression by 2, to get rate expression per H atom. - -pg 1094, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 15,2. - -Verified by Karma James - -pg. 1147: Discussion of evaluated data - -Recommended value computed using reverse rate and thermodynamics - -MRH 28-Aug-2009 - - ---- -164 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -H2 + CH3CO --> H + CH3CHO C.D.W divided original rate expression by 2, to get rate expression per H atom. - -//WAS UNABLE TO VERIFY DATA!!! DATA NOT FOUND IN REFERENCE. - -pg. 1229: Discussion on evaluated data - -No experimental data for forward rxn, at the time - -Reviewers noticed that k(H+HCHO=H2+HCO) / k(H+CH3CHO=H2+CH3CO) ~ 2, due to double the number of H atoms available - -Used 0.5*k(H+HCHO=H2+HCO) and equilibrium constant to compute recommended rate expression - -Verified by MRH on 10Aug2009 - - ---- -165 ---- -[123] Isaacson, A.D. J. Chem. Phys. 1997, 107, 3832. -H2 + O2 --> H + H2O C.D.W divided original rate expression by 2, to get rate expression per H atom. - -166. [100] Jodkowski, J.T.; Rauez, M.-T.; Rayez, J.-C. J. Phys. Chem. A. 1999, 103, 3750. - -H2 + CH3O --> H + CH3OH The calculated reverse rate constants are in good agreement with experiment. (This is -R1 in the paper) - -C.D.W divided original rate expression by 2, to get rate expression per H atom. - -Verified by Greg Magoon; maximum error of fitted expression from tabular data for forward rate constant, kr1 is 15% (cf. p. 3758) - ---- -167 ---- -[95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; -Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - -CH4 + O2 --> CH3 + HO2 C.D.W divided original rate expression by 4, to get rate expression per H atom. - -pg 417 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - O2 Reactions. - -Verified by Karma James - -pg.483: Discussion on evaluated data - -O2+CH4 --> HO2+CH3: Recommended data based on experimental value for CH2O + O2 --> - -HO2 + HCO. Assumes equal A factor per C-H bond and Ea = deltaH. -MRH 31-Aug-2009 - - ---- -168 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -CH4 + C2H5 --> CH3 + C2H6 C.D.W divided original rate expression by 4, to get rate expression per H atom. - -//WAS UNABLE TO VERIFY DATA!!! DATA NOT FOUND IN REFERENCE. - -pg. 1177: Discussion on evaluated data - -No experimental data for forward rxn, at the time - -Recommended data from reverse rate and equilibrium constant - -Verified by MRH on 10Aug2009 - - ---- -169 ---- -[91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. -CH4 + iso-C3H7 --> CH3 + C3H8 C.D.W divided original rate expression by 4, to get rate expression per H atom. - -pg 894, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 42,10. - -Verified by Karma James - -pg. 935: Discussion on evaluated data - -Entry 42,10: No data available at the time. Author recommends rate coefficient - -expression based on reverse rate and equilibrium constant. -MRH 30-Aug-2009 - - ---- -170 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -CH4 + C2H --> CH3 + C2H2 C.D.W divided original rate expression by 4, to get rate expression per H atom. - -pg 1101, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 21,10. - -Verified by Karma James - -pg. 1220: Discussion of evaluated data - -Recommended data is expression given by Brown and Laufer (1981). - -They computed the pre-exponential factor by the bond energy-bond order (BEBO) method - -and combined that with experimental k at room temperature to yield Arrhenius expression -MRH 28-Aug-2009 - - ---- -171 ---- -[124] Heckmann, E.; Hippler, H. Troe, J. Sypm. Int. Combust. Proc. 1996, 26, 543. -Absolute value measured directly (excitation technique: thermal, analytical technique: vis-UV absorption) CH4 + phenyl --> benzene - -C.D.W divided original rate expression by 4, to get rate expression per H atom. - - ---- -172 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -CH4 + HCO --> CH3 + CH2O C.D.W divided original rate expression by 4, to get rate expression per H atom. - -pg 1094, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 15,10. - -Verified by Karma James - -pg. 1150: Discussion on evaluated data - -Recommended data computed using reverse rate and equilibrium constant - -MRH 28-Aug-2009 - - ---- -173 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -CH4 + CH3CO --> CH3 + CH3CHO C.D.W divided original rate expression by 4, to get rate expression per H atom. - -pg 1102, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 22,10. - -Verified by Karma James - -pg. 1231: Discussion on evaluated data - -Recommended number computed from reverse rate and equilibrium constant - -MRH 28-Aug-2009 - - ---- -174 ---- -[125] Melissas, V.S.; Truhlar, D.G. J. Chem. Phys. 1993,99,1010. -CH4 + OH --> CH3 + H2O C.D.W divided original rate expression by 4, to get rate expression per H atom. - - ---- -175 ---- -[95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; -Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - -CH4 + OH --> CH3 + H2O C.D.W divided original rate expression by 4, to get rate expression per H atom. - -pg 419 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - OH Radical Reactions. - -Verified by Karma James - -pg.571-572: Discussion on evaluated data - -OH+CH4 --> H2O+CH3: "The preferred value of k is that obtained experimentally by - -Madronich and Felder which predicts very precisely the data obtained between -240 and 2000K." -MRH 31-Aug-2009 - - ---- -176 ---- -[101] Cohen, N. Int. J. Chem. Kinet. 1991, 23, 397. -CH4 + OH --> CH3 + H2O C.D.W divided original rate expression by 4, to get rate expression per H atom. - - ---- -177 ---- -[100] Jodkowski, J.T.; Rauez, M.-T.; Rayez, J.-C. J. Phys. Chem. A. 1999, 103, 3750. -CH4 + CH3O --> CH3 + CH3OH The calculated reverse rate constants are in good agreement with experiment. (Rxn. -R3 in paper) - -C.D.W divided original rate expression by 4 ( from A= 1.51E+09), to get rate expression per H atom. - -Verified by Greg Magoon; cf. reverse reaction, #261, below - ---- -178 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -CH4 + HO2 --> CH3 + H2O2 C.D.W divided original rate expression by 4, to get rate expression per H atom. - -pg 1093, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 10,7. - -Verified by Karma James - -pg. 1131: Discussion on evaluated data - -Recommended data is based on expression for HO2 attach on alkanes (Walker) - -MRH 28-Aug-2009 - - ---- -179 ---- -[95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; -Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - -C2H6 + O2 --> C2H5 + HO2 C.D.W divided original rate expression by 6, to get rate expression per H atom. - -pg 417 Evaluated Kinetic Data for Combustion Modelling Table 1. Bimolecular reactions - O2 Reactions. (The value for E0 does not - -match the value in the reference, E0 RMG = 1.87; E0 Reference = 51.86) - -Verified by Karma James - -pg.484: Discussion on evaluated data - -O2+C2H6 --> HO2+C2H5: "The value given in the Walker review has been modified slightly - -to allow for the higher heat of formation of the C2H5 radical now recommended -and for an assumed equal A factor per C-H bond in CH2O+O2 and C2H6+O2." -*** NOTE: MRH agrees with KJ on discrepancy in RMG-stored E0. MRH is changing the value - -of E0 in RMG from 1.87 kcal/mol to 51.87 kcal/mol. *** -MRH 31-Aug-2009 - - ---- -180 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -C2H6 + C2H --> C2H5 + C2H2 C.D.W divided original rate expression by 6, to get rate expression per H atom. - -pg 1101, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 21,11. - -Verified by Karma James - -pg. 1221: Discussion on evaluated data - -Recommended data is based on expression given by Brown and Laufer (1981). - -Brown and Laufer calculated pre-exponential factor by BEBO method and -combined calculation with experimental measurement of k at room temperature. -MRH 28-Aug-2009 - - ---- -181 ---- -[126] Park, J.; Gheyas, S.; Lin, M.C. Int. J. Chem. Kinet. 2001, 33, 64. -Absolute value measured directly. Static or low flow, flash photolysis excitation, Vis-UV absoprtion analysis. - -Phenyl radicals are produced from 193 nm photolysis of C6H5COCH3. The cavity ringdown spectroscopy and/or mass spectroscopy - -have been used to monitor reactant and/or products. C2H6 + phenyl --> C2H5 + benzene. - -C.D.W divided original rate expression by 6 ( from A= 2.09E+11), to get rate expression per H atom. Original delta A = 2.0E+10. - - ---- -182 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -C2H6 + HCO --> C2H5 + CH2O C.D.W divided original rate expression by 6(from A = 4.69E+04), to get rate expression per H atom. - -pg 1094, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 15,11. - -Verified by Karma James - -pg. 1150: Discussion on evaluated data - -Recommended data computed from reverse rate and equilibrium constant - -MRH 28-Aug-2009 - - ---- -183 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -C2H6 + CH3CO --> C2H5 + CH3CHO C.D.W divided original rate expression by 6(from A = 1.81E+04), to get rate expression per H atom. - -pg 1102, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 22,11. - -Verified by Karma James - -pg. 1231: Discussion on evaluated data - -Recommended data computed using rate of C2H5+CH2O divided by 2 (since only one O=C-H - -hydrogen is present in CH3CHO) and equilibrium constant -MRH 28-Aug-2009 - - ---- -184 ---- -[95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; -Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - -C2H6 + OH --> C2H5 + H2O C.D.W divided original rate expression by 6, to get rate expression per H atom. - -pg 420 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - OH Radical Reactions. - -Verified by Karma James - -pg.589-590: Discussion on evaluated data - -OH+C2H6 --> H2O+C2H5: "The preferred value of k is almost indistinguishable from the - -value obtained by Cohen from transition state calculations carried out for -temperatures between 300 and 2000K." -MRH 31-Aug-2009 - - ---- -185 ---- -[127] Taylor, P.H.; Rahman, M.S.; Arif, M.; Dellinger, B.; Marshall, P. Sypm. Int. Combust. Proc. 1996, 26, 497. -CH3CHO + OH --> CH2CHO + H2O Rate constant is high pressure limit (pressure 0.13-0.97atm?) - -C.D.W divided original rate expression by 3(from A = 1.55E+06), to get rate expression per H atom. - - ---- -186 ---- -[100] Jodkowski, J.T.; Rauez, M.-T.; Rayez, J.-C. J. Phys. Chem. A. 1999, 103, 3750. -CH3OH + CH3 --> CH2OH + CH4 The calculated rate constants are in good agreement with experiment. (Rxn. R4 in paper) - -C.D.W divided original rate expression by 3 ( from A= 8.43E+08), to get rate expression per H atom. - -Verified by Greg Magoon - ---- -187 ---- -[100] Jodkowski, J.T.; Rauez, M.-T.; Rayez, J.-C. J. Phys. Chem. A. 1999, 103, 3750. -CH3OH + OH --> CH2OH + H2O The calculated rate constants are in good agreement with experiment. (Rxn. R6 in paper) - -C.D.W divided original rate expression by 3 ( from A= 2.11E+11), to get rate expression per H atom. - -Verified by Greg Magoon -**Note that R2 from this paper appears to be missing from the RMG library, so I have added it as 1001** - ----- -1001 ----- -[100] Jodkowski, J.T.; Rauez, M.-T.; Rayez, J.-C. J. Phys. Chem. A. 1999, 103, 3750. - -CH3OH + H --> CH2OH + H2 (Rxn. R2 in paper) - -divided original rate expression by 3 to get rate expression per H atom. - -Created by Greg Magoon; maximum error of fitted expression from tabular data for kr2 is 20% (cf. p. 3758); rank of 2 assigned based on rank for other values reported in the paper in the rateLibrary (also 2) - ---- -188 ---- -[91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. -C3H8 + O2 --> iso-C3H7 + HO2 C.D.W divided original rate expression by 2, to get rate expression per H atom. - -pg 891, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 40,3. - -//NOTE: For A value, Database value = 1.985E+13 and Reference value = 1.65E+13 - -Verified by Karma James - -NOTE: MRH computed Reference A value of 1.99E+13 (11Aug2009) - -pg. 899: Discussion on evaluated data - -Entry 40,3 (b): No data available at the time. The author "estimates" the rate - -coefficient expressions (no indication of how). -MRH 30-Aug-2009 - - ---- -189 ---- -[91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. -C3H8 + CH2 --> iso-C3H7 + CH3 C.D.W divided original rate expression by 2(from A = 1.51), to get rate expression per H atom. - -pg 892, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 40,26. -Verified by Karma James - -pg. 910: Discussion on evaluated data - -Entry 40,26 (b): No data available at the time. Author estimates the rate coefficient - -expression as that of CH3+C3H8=i-C3H7+CH4. -MRH 30-Aug-2009 - - ---- -190 ---- -[91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. -C3H8 + O --> iso-C3H7 + OH C.D.W divided original rate expression by 2(from A = 4.77E+04), to get rate expression per H atom. - -pg 891, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 40,5. - -Verified by Karma James - -pg. 901: Discussion on evaluated data - -Entry 40,5 (b): The author notes "considerable scatter" among the existing data. The - -author computed Arrhenius A and n parameters using a BEBO calculation and performed -a "fit" on the data reported by Herron and Huie to obtain the Arrhenius E. This -rate coefficient expression is stated to fit 3 (of the 5) raw data reported. -MRH 30-Aug-2009 - - ---- -191 ---- -[91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. -C3H8 + CH2OH --> iso-C3H7 + CH3OH C.D.W divided original rate expression by 2(from A = 6.03E+01), to get rate expression per H atom. - -//WAS UNABLE TO VERIFY DATA!!! DATA NOT FOUND IN REFERENCE. - -pg. 910: Discussion on evaluated data - -Entry 40,39 (b) - -No experimental data, at the time - -Recommended value for C3H8+CH2OH-->n-C3H7+CH3OH comes from rate for C2H6+CH2OH-->C2H5+CH3OH - -No discussion on where rate for C3H8+CH2OH-->i-C3H7+CH3OH comes from: - -A is ~ factor of 3 smaller (6 hydrogens vs 2 ... seems reasonable to MRH) -E is 1 kcal/mol smaller (more stable to form secondary radical than primary) -Verified by MRH on 10Aug2009 - -MRH 30-Aug-2009 - - ---- -192 ---- -[91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. -C3H8 + C2H3 --> iso-C3H7 + C2H4 C.D.W divided original rate expression by 2, to get rate expression per H atom. - -pg 891, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 40,19. - -Verified by Karma James - -pg. 906: Discussion on evaluated data - -Entry 40,19 (b): No data available at the time. The author recommends the rate coefficient - -expression of C2H3+C2H6=C2H5+C2H4 for the rxn C2H3+C3H8=n-C3H7+C2H4. The author -assumes the ratio of secondary-to-primary H-atom abstraction for the rxn CH3+C3H8 -to obtain the recommended rate coefficient expression. -MRH 30-Aug-2009 - - ---- -193 ---- -[91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. -C3H8 + C2H --> iso-C3H7 + C2H2 C.D.W divided original rate expression by 2, to get rate expression per H atom. - -pg 891, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 40,21. - -Verified by Karma James - -pg. 906-907: Discussion on evaluated data - -Entry 40,21 (b): No data available at the time. The author recommends the rate coefficient - -of C2H6+C2H=C2H2+C2H5 for the rxn C3H8+C2H=C2H2+n-C3H7. Due to the high exothermicity -of the rxn, the author assumes the H-atom abstraction rxn is limited to the number -of H-atoms available, thus recommedning a rate coefficient equal to one-third that -recommended for C3H8+C2H=C2H2+n-C3H7. -MRH 30-Aug-2009 - - ---- -194 ---- -[91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. -C3H8 + HCO --> iso-C3H7 + CH2O C.D.W divided original rate expression by 2, to get rate expression per H atom. - -pg 891, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 40,15. - -Verified by Karma James - -pg. 904: Discussion on evaluated data - -Entry 40,15 (b): No data available at the time. The author recommends a rate coefficient - -expression based on the reverse rxn (note: the author uses the rate of the rxn -n-C3H7+CH2O=HCO+C3H8 instead of i-C3H7+CH2O=HCO+C3H8) and equilibrium constant. -MRH 30-Aug-2009 - - ---- -195 ---- -[91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. -C3H8 + CH3CO --> iso-C3H7 + CH3CHO C.D.W divided original rate expression by 2, to get rate expression per H atom. - -pg 891, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 40,22. - -Verified by Karma James - -pg. 907: Discussion on evaluated data - -Entry 40,22 (b): No data available at the time. The author recommends a rate coefficient - -expression based on the equilibrium constant and the reverse rate (note: the author -estimates this reverse rate using the suggestions of Kerr, J.A. and Trotman-Dickenson, A.F.). -MRH 30-Aug-2009 - - ---- -196 ---- -[101] Cohen, N. Int. J. Chem. Kinet. 1991, 23, 397. -C3H8 + OH --> iso-C3H7 + H20 C.D.W divided original rate expression by 2, to get rate expression per H atom. - -Not yet checked - - ---- -197 ---- -[91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. -C3H8 + CH3O --> iso-C3H7 + CH3OH C.D.W divided original rate expression by 2, to get rate expression per H atom. - -pg 891, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 40,24. - -Verified by Karma James - -pg. 908: Discussion on evaluated data - -Entry 40,24 (b): The author assumes the Arrhenius A parameter should follow: - -A(C3H8+CH3O=CH3OH+n-C3H7) / A(C3H8+CH3O=CH3OH+i-C3H7) = 3 -The author also demands that the recommended data fit both sets of experiments -reported. These assumptions (plus one unwritten one, as we still have 3 -unknown parameters [A1, E1, E2 ... A2=f(A1)]) produce the reported rate -coefficient expression. -MRH 30-Aug-2009 - - ---- -198 ---- -[92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. -Iso-C4H10 + O2 --> tert-C4H9 + HO2 - -pg 5, Chemical Kinetic Database For Combustion Chemistry, Part 4 - Isobutane. - -Index of Reactions and Summary of Recommended Rate Expressions. No. 43,3. - -Verified by Karma James - -pg.14: Discussion on evaluated data - -Entry 43,3(b): No direct measurements at the time. A review article reported a rate - -coefficient expression for iC4H10+O2-->tC4H9+HO2. An experiment performed by -Baldwin, Drewery, and Walker reported a rate coefficient expression for O2 abstracting -a tertiary H-atom from 2,3-dimethylbutane. The experiment's value matched well -with the review's value, so Tsang recommended the review's value. -MRH 31-Aug-2009 - - ---- -199 ---- -[92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. -Iso-C4H10 + O --> tert-C4H9 + OH - -pg 5, Chemical Kinetic Database For Combustion Chemistry, Part 4 - Isobutane. - -Index of Reactions and Summary of Recommended Rate Expressions. No. 43,5. - -Verified by Karma James - -pg.15: Discussion on evaluated data - -Entry 43,5(b): Michael et al. reported the rate coefficient expression for iC4H10+O=OH+C4H9 isomer. - -Tsang subtracted from this expression the contributions from iC4H10+O=OH+iC4H9 (What -rate expression was used? The one recommended here?) to obtain an expression for -iC4H10+O=OH+tC4H9. Tsang then adjusted the rate expression such that the A-factor's -temperature dependence was 2.5 (was this 2.5 based on the review by Cohen and Westberg?). -MRH 31-Aug-2009 - - ---- -200 ---- -[92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. -Iso-C4H10 + CH2 --> tert-C4H9 + CH3 - -pg 6, Chemical Kinetic Database For Combustion Chemistry, Part 4 - Isobutane. - -Index of Reactions and Summary of Recommended Rate Expressions. No. 43,25. - -Verified by Karma James - -pg.23-24: Discussion on evaluated data - -Entry 43,25(b): Tsang recommends the rate coefficient expression reported by Bohland et al. - -Tsang notes that the rate for CH2_triplet abstracting a H-atom is faster than -the recommended value for CH3 abstracting a H-atom. -MRH 31-Aug-2009 - - ---- -201 ---- -[92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. -Iso-C4H10 + C2H3 --> tert-C4H9 + C2H4 - -pg 5, Chemical Kinetic Database For Combustion Chemistry, Part 4 - Isobutane. - -Index of Reactions and Summary of Recommended Rate Expressions. No. 43,19. - -Verified by Karma James - -pg.20: Discussion on evaluated data - -Entry 43,19(b): No data available at the time. Author recommends rate coefficient expression - -based on the rxn CH3+iC4H10=CH4+tC4H9: same Arrhenius A and n parameters, Ea decreased -by 8.5 kJ/mol. -MRH 31-Aug-2009 - - ---- -202 ---- -[92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. -Iso-C4H10 + C2H --> tert-C4H9 + C2H2 - -pg 5, Chemical Kinetic Database For Combustion Chemistry, Part 4 - Isobutane. - -Index of Reactions and Summary of Recommended Rate Expressions. No. 43,21. - -Verified by Karma James - -pg.21: Discussion on evaluated data - -Entry 43,21(b): No data available at the time. For the rxn iC4H10+C2H=C2H2+iC4H9, author - -recommends 1.5x the rate of the rxn C2H6+C2H=C2H2+C2H5 (9 vs. 6 primary H-atoms). -The author then recommends a rate coefficient for iC4H10+C2H=C2H2+tC4H9 that appears -to be 1/9 the rate of iC4H10+C2H=C2H2+iC4H9 (9 vs. 1 H-atom). -MRH 31-Aug-2009 - - ---- -203 ---- -[92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. -Iso-C4H10 + HCO --> tert-C4H9 + CH2O - -pg 5, Chemical Kinetic Database For Combustion Chemistry, Part 4 - Isobutane. - -Index of Reactions and Summary of Recommended Rate Expressions. No. 43,15. - -Verified by Karma James - -pg.18: Discussion on evaluated data - -Entry 43,15(b): No data available at the time. For the rxn iC4H10+HCO=CH2O+iC4H9, author - -recommends 1.5x the rate of the rxn C3H8+HCO+CH2O+nC3H7 (9 vs. 6 primary H-atoms). -The author then recommends the rate coefficient for iC4H10+HCO=CH2O+tC4H9 to be the -rate coefficient of iC4H10+HCO=CH2O+iC4H9, with the A factor divided by 9 (9 vs. 1 -H-atoms) and the Ea decreased by 20 kJ/mol. -MRH 31-Aug-2009 - - ---- -204 ---- -[92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. -Iso-C4H10 + CH3CO --> tert-C4H9 + CH3CHO - -pg 5, Chemical Kinetic Database For Combustion Chemistry, Part 4 - Isobutane. - -Index of Reactions and Summary of Recommended Rate Expressions. No. 43,22. - -Verified by Karma James - -pg.21: Discussion on evaluated data - -Entry 43,22(b): No data available at the time. Author recommends rate coefficient expression - -based on the rxn iC4H10+HCO=CH2O+tC4H9. -MRH 31-Aug-2009 - - ---- -205 ---- -[101] Cohen, N. Int. J. Chem. Kinet. 1991, 23, 397. -Iso-C4H10 + OH --> tert-C4H9 + H2O - -Not yet checked - - ---- -206 ---- -[92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. -Iso-C4H10 + CH3O --> tert-C4H9 + CH3OH - -pg 6, Chemical Kinetic Database For Combustion Chemistry, Part 4 - Isobutane. - -Index of Reactions and Summary of Recommended Rate Expressions. No. 43,24. - -Verified by Karma James - -pg.22: Discussion on evaluated data - -Entry 43,24(b): A study by Berces and Trotman-Dickenson reported a rate coefficient - -for the rxn iC4H10+CH3O=CH3OH+C4H9 isomer. Tsang used the rate coefficient for -the rxn CH3O+C(CH3)4=CH3OH+H2C*-C(CH3)3 determined by Shaw and Trotman-Dickenson -as a characteristic for CH3O+primary H-atom abstraction to recommend a rate coefficient -for iC4H10+CH3O=CH3OH+iC4H9. This rate expression was subtracted from the rate -coefficient reported by Berces and Trotman-Dickenson to yield the rate coefficient -for iC4H10+CH3O=CH3OH+tC4H9. Lastly, the pre-exponential factor was cut in half, -due to Tsang's correcting an arithmetic error by Kerr and Parsonage (perhaps this -work was referenced in the Berces and Trotman-Dickenson study?) -MRH 31-Aug-2009 - - ---- -207 ---- -FORMER RATES -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -C2H4 + O2 --> C2H3 + HO2 C.D.W divided original rate expression by 4, to get rate expression per H atom. - -pg 1097, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 18,3. - -Verified by Karma James - -pg. 1184: Discussion on evaluated data - -Recommended data follows Walker's estimates for O2+alkane - -Note: The authors note that a lower lying channel, involving addition and -rearrangement prior to decomposition, may exist. -MRH 28-Aug-2009 - - -CURRENT RATES -Hua, H.; B. Ruscic; B. Wang. Chemical Physics 2005, 311, 335-341. -C2H4 + O2 --> C2H3 + HO2. - -Divided rate expression by 4 to get the rate expression per H atom. See page 338. -Overall, this agrees with the earlier rate that we used. -JDM 15-Jun-2010. - - ---- -208 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -C2H4 + CO --> C2H3 + HCO C.D.W divided original rate expression by 4(from A= 1.51E+14), to get rate expression per H atom. - -pg 1097, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 18,14. - -Verified by Karma James - -pg. 1190: Discussion on evaluated data - -Recommended data based on assumed reverse rate (of 3.3x10^-12 cm3/molecule*s) and equilibrium constant - -NOTE: Data entry in rateLibrary.txt file has been commented out (not by MRH) - -Header of rateLibrary.txt file states a new rxn family was created for special case -of CO acting as Y_rad_birad. MRH does not see this family in database (neither -does the PopulateReactions module predict CO abstracting a Hydrogen atom from C2H4) -MRH 28-Aug-2009 - - ---- -209 ---- -[128] Mahmud, K.; Marshall, P.; Fontijn, A. J Phys. Chem. 1987, 91, `568. -C2H4 + O --> C2H3 + OH C.D.W divided original rate expression by 4(from A= 1.51E+07), to get rate expression per H atom. - - ---- -210 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -C2H4 + C2H5 --> C2H3 + C2H6 C.D.W divided original rate expression by 4, to get rate expression per H atom. - -pg 1098, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 18,17. - -Verified by Karma James - -pgs. 1191-1192: Discussion on evaluated data - -Recommended data based on study performed by Halstead and Quinn - -Tsang fit the data against BEBO calculations (to attain the Arrhenius A, n) -and manually adjusted the E. -MRH 28-Aug-2009 - - ---- -211 ---- -[95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; -Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - -C2H4 + OH --> C2H3 + H2O C.D.W divided original rate expression by 4(from A= 2.05E+13), to get rate expression per H atom. - -pg 420 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - OH Radical Reactions. - -Verified by Karma James - -pg.586-587: Discussion on evaluated data - -OH+C2H4 --> H2O+C2H3: Recommended rate taken from expression reported by Tully (1988). - -MRH 31-Aug-2009 - - ---- -212 ---- -[93] Tsang, W. J. Phys. Chem. Ref. Data 1991, 20, 221. -CH3CH=CH2 + O --> CH3C=CH2 + OH - -pg 233-234: Discussion on evaluated data - -Verified by MRH on 6Aug2009 - -Entry 46,5(f): No measurements on H-atom abstraction rxns. Recommended rate coefficient - -is computed as follows: - -The rate of O + C3H6 --> OH + H2C=CH-*CH2 is computed using the expression: -[k(O+C2H6-->C2H5+HO)/k(OH+C2H6-->C2H5+H2O)] * k(OH+C3H6-->H2C=CH-*CH2+H2O). -The author uses this expression because he notes that OH and O H-atom abstraction -rxns generally follow the same trend. The O+C2H6, OH+C2H6, and OH+C3H6 -are from other Tsang review articles. -The rate of O+C3H6 --> OH+CH3C=CH2 is computed by adjusting the O+C3H6 --> OH+H2C=CH-*CH2 -rate coefficient: increasing the Ea/R by 880 Kelvin and multiplying the A -by ~0.345; these values come from the relative difference between the rxns -OH+C3H6 --> H2O+H2C=CH-*CH2 and OH+C3H6 --> H2O+CH3C=CH2 -MRH 31-Aug-2009 - - ---- -213 ---- -[93] Tsang, W. J. Phys. Chem. Ref. Data 1991, 20, 221. -CH3CH=CH2 + H --> CH3C=CH2 + H2 - -pg 231: Discussion on evaluated data - -Previous modified Arrhenius parameters were for RELATIVE rate (kc/ka) - -Multipled kc/ka by ka to get kc (only one H to abstract, so no division necessary) - -Certified by MRH on 6Aug2009 - -Entry 46,4(c): No data available for H-atom abstraction rxns. The recommended rate - -coefficient is based on the author's assumption that methyl substitution has the -same influence in olefins as in alkanes. -MRH 31-Aug-2009 - - ---- -214 ---- -[93] Tsang, W. J. Phys. Chem. Ref. Data 1991, 20, 221. -CH3CH=CH2 + CH3 --> CH3C=CH2 + CH4 - -pg 237-239 - -Previous modified Arrhenius parameters were for RELATIVE rate (ke/kc) - -Multiplied ke/kc by kc to get ke (only one H to abstract, so no division necessary) - -Certified by MRH on 6Aug2009 - -Entry 46,16(e): Recommended rate coefficient is based on the author's assumption - -that methyl substitution has the same influence in olefins as in alkanes. -MRH 31-Aug-2009 - - ---- -215 ---- -[93] Tsang, W. J. Phys. Chem. Ref. Data 1991, 20, 221. -CH3CH=CH2 + C2H3 --> CH3C=CH2 + C2H4 - -pg 240-241 - -Previous modified Arrhenius parameters were for RELATIVE rate (kc/ka) - -Multiplied kc/ka by ka to get kc (only one H to abstract, so no division necessary) - -Certified by MRH on 6Aug2009 - -Entry 46,19(c): No data available at the time. The recommended rate coefficient - -is based on the rate expressions for CH3 abstracting a H-atom from C3H6; all of -the Ea's have been decreased by 4kJ/mol. -MRH 31-Aug-2009 - - ---- -216 ---- -[93] Tsang, W. J. Phys. Chem. Ref. Data 1991, 20, 221. -CH3CH=CH2 + C2H --> CH3C=CH2 + C2H2 - -pg 241 - -Verified by MRH on 6Aug2009 - -Entry 46,21(e): No data available at the time. Recommended rate expression is "somewhat - -smaller" than the rate of rxn C3H6+C2H --> C2H2+H2C=CH-*CH2. The rate of this rxn -is assumed to be the rate of the rxn C2H+C2H6 --> C2H2+C2H5. -MRH 31-Aug-2009 - - ---- -217 ---- -[93] Tsang, W. J. Phys. Chem. Ref. Data 1991, 20, 221. -CH3CH=CH2 + OH --> CH3C=CH2 + H2O - -pg 235-236 - -Valid T range in reference suggested 700-2500K - -Uncertainty stated in reference was *2.0 - -Verified by MRH on 6Aug2009 - -Entry 46,6(d): No direct measurements of H-atom abstraction rxns. The recommended - -H-atom abstraction rxns are based on "the results of Tully (1988) for the rxn -of OH + C2H4 and the rate constant ratio of OH + primary Hydrogens in ethane by -Tully et al. (1986) to OH + secondary Hydrogens by Droege and Tully (1986)". The -author has also introduced a T^2 dependence in the A-factor. -MRH 31-Aug-2009 - - ---- -218 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -C2H2 + O2 --> C2H + HO2 C.D.W divided original rate expression by 2, to get rate expression per H atom. - -pg 1100, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 20,3. - -Verified by Karma James - -pg. 1209: Discussion on evaluated data - -Recommended data based on report by Walker - -NOTE: Authors note that a lower-lying channel of O2 addition, rearrangement, -and decomposition may exist. -MRH 28-Aug-2009 - - ---- -219 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -C2H2 + CO --> C2H + HCO C.D.W divided original rate expression by 2, to get rate expression per H atom. - -pg 1100, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 20,14. - -Verified by Karma James - -pg. 1214: Discussion on evaluated data - -Recommended data based on assumed reverse rate (of 3.3x10^-11 cm3/molecule*s) and equilibrium constant - -NOTE: Data entry in rateLibrary.txt file has been commented out (not by MRH) - -Header of rateLibrary.txt file states a new rxn family was created for special case -of CO acting as Y_rad_birad. MRH does not see this family in database (neither -does the PopulateReactions module predict CO abstracting a Hydrogen atom from C2H2) -MRH 28-Aug-2009 - - ---- -220 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -C2H2 + C2H5 --> C2H + C2H6 C.D.W divided original rate expression by 2 (from A= 2.71E+11), to get rate expression per H atom. - -pg 1100, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 20,17. - -Verified by Karma James - -pg. 1215: Discussion on evaluated data - -Recommended data based on reverse rate and equilibrium constant - -MRH 28-Aug-2009 - - ---- -221 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -C2H2 + OH --> C2H + H2O C.D.W divided original rate expression by 2, to get rate expression per H atom. - -pg 1100, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 20,6. - -Verified by Karma James - -pg. 1213: Discussion on evaluated data - -Recommended data is derived from BEBO method calculation - -MRH 28-Aug-2009 - - ---- -222 ---- -[129] Asaba, T.; Fujii, N.; Proc. Int. Symp. Shock Tubes Waves 1971, 8, 1. -Benzene + O2 --> phenyl + HO2 C.D.W divided original rate expression by 6(from A = 6.31E+13), to get rate expression per H atom. - - ---- -223 ---- -[122] Mebel, A.M.; Lin, M.C.; Yu, T.; Morokuma, K. J. Phys. Chem. A. 1997, 101, 3189. -Rate constant is high pressure limit. Benzene + H --> phenyl + H2 - -C.D.W divided original rate expression by 6(from A = 6.02E+08), to get rate expression per H atom. - - ---- -224 ---- -[130] Nicovich, J.M.; Ravishankara, A.R. J. Phys. Chem. 1984, 88, 2534. -Pressure 0.01-0.26 atm Excitation: flash photolysis, analysis: resonance fluorescence. Benzene + H --> phenyl + H2 - -C.D.W divided original rate expression by 6(from A = 3.01E+12), to get rate expression per H atom. - - ---- -225 ---- -[131] Zhang, H.X.; Ahonkhai, S.I. Back, H.M. Can. J. Chem. 1989, 67, 1541. -Pressure 0.30-0.50 atm Excitation: thermal, analysis: GC. Benzene + C2H5 --> phenyl + C2H6 - -C.D.W divided original rate expression by 6(from A = 6.31E+11), to get rate expression per H atom. - - ---- -226 ---- -[95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; -Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - -Benzene + OH --> phenyl + H2O C.D.W divided original rate expression by 6(from A = 1.63E+08), to get rate expression per H atom. - -pg 420 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - OH Radical Reactions. - -Verified by Karma James - -pg.595-597: Discussion on evaluated data - -OH+C6H6 --> H2O+C6H5: Authors note that this rxn should be dominant at temperatures - -above 500K. No other comment on where the recommended rate expression comes from -(although MRH believes it is a best-fit to the available data, based on graph). -MRH 31-Aug-2009 - - ---- -227 ---- -[132] Michael, J.V.; Kumaran, S.S.; Su, M.-C. J. Phys. Chem. A. 1999, 103, 5942. -CH2O + O2 --> HCO + HO2 C.D.W divided original rate expression by 2, to get rate expression per H atom. - - ---- -228 ---- -[95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; -Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - -CH2O + O --> HCO + OH C.D.W divided original rate expression by 2, to get rate expression per H atom. - -pg 416 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - O Atom Reactions. - -Verified by Karma James - -pg.449-450: Discussion on evaluated data - -O+CH2O --> OH+HCO: "The preferred values are based on the low temperature data which are - -all in good agreement, and on the higher temperature value of Bowman." -MRH 31-Aug-2009 - - ---- -229 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -Rate constant is an upper limit. CH2O + CH2 --> HCO + CH3 - -C.D.W divided original rate expression by 2 (from A= 6.03E+09), to get rate expression per H atom. - -pg 1106, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 26,12. - -Verified by Karma James - -pg. 1267: Discussion on evaluated data - -Recommended data based on triplet methylene's general lack of reactivity in H-atom abstractions - -NOTE: Rate coefficient is an upper limit -MRH 28-Aug-2009 - - ---- -230 ---- -[94] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Frank, P.; Hayman, G,; Just, T.; Kerr, J.A.; Murrells, T.; Pilling, M.J.; -Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1994, 23, 847. - -CH2O + CH3 --> HCO + CH4 C.D.W divided original rate expression by 2, to get rate expression per H atom. - -pg 862 Evaluated Kinetic Data for Combustion Modelling Supplement 1, Table 1. Bimolecular reactions - CH3 Radical Reactions. - -Verified by Karma James - -pg.989-990: Discussion on evaluated data - -CH3+HCHO --> CH4+HCO: The recommended value is a "best fit to the data of Choudhury et al., - -the reworked data from Anastasi, together with those at lower temperatures from -Refs. 4, 5, and 7." -MRH 31-Aug-2009 - - ---- -231 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -CH2O + C2H5 --> HCO + C2H6 C.D.W divided original rate expression by 2, to get rate expression per H atom. - -pg 1096, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 17,12. - -Verified by Karma James - -pg. 1178: Discussion on evaluated data - -Recommended data is the rate of CH2O+CH3-->HCO+CH4. - -Authors note that rate coefficients for alkyl radicals w/aldehydic H-atoms are -similar (as noted by Kerr, J.A. and Trotman-Dickenson, A.F. -MRH 28-Aug-2009 - - ---- -232 ---- -[91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. -CH2O + iso-C3H7 --> HCO + C3H8 C.D.W divided original rate expression by 2, to get rate expression per H atom. - -pg 894, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 42,12. - -Verified by Karma James - -pg. 936: Discussion on evaluated data - -Entry 42,12: No data available at the time. The author recommends a rate coefficient - -expression that is twice that of the rxn i-C3H7+(CH3)2CHCHO, taken from a study -by Kerr, J.A. and Trotman-Dickenson, A.F. (1959). The author states that a correction -was made to the 1959 report, taking the recommended rate of i-C3H7 recombination -(reported by Tsang) into consideration. -MRH 30-Aug-2009 - - ---- -233 ---- -[92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. -CH2O + tert-C4H9 --> HCO + iso-C4H10 C.D.W divided original rate expression by 2 (from A= 3.25E+09), to get rate expression per H atom. - -pg 7, Chemical Kinetic Database For Combustion Chemistry, Part 4 - Isobutane. - -Index of Reactions and Summary of Recommended Rate Expressions. No. 44,12. - -Verified by Karma James - -pg.35: Discussion on evaluated data - -Entry 44,12: No data available at the time. The author recommends 2x the rate coefficient - -of the rxn tC4H9+tC4H9-CHO=iC4H10+tC4H9-CO (2 vs. 1 aldehydic H-atoms); this value -was reported by Birrell and Trotman-Dickenson. The author also notes that he has -taken into account tC4H9 combination (perhaps meaning he used a geometric mean rule -to derive the final form of the expression?) -MRH 31-Aug-2009 - - ---- -234 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -CH2O + C2H3 --> HCO + C2H4 C.D.W divided original rate expression by 2, to get rate expression per H atom. - -pg 1099, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 19,12. - -Verified by Karma James - -pg. 1197: Discussion on evaluated data - -Recommended data is the rate of CH2O+CH3-->HCO+CH4. - -Authors note that rate coefficients for alkyl radicals w/aldehydic H-atoms are -similar (as noted by Kerr, J.A. and Trotman-Dickenson, A.F. -MRH 28-Aug-2009 - - ---- -235 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -CH2O + CH3CO --> HCO + CH3CHO C.D.W divided original rate expression by 2, to get rate expression per H atom. - -pg 1102, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 22,12. - -Verified by Karma James - -pg. 1231: Discussion on evaluated data - -Recommended data based on "analogous systems" - -MRH 28-Aug-2009 - - ---- -236 ---- -[95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; -Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - -CH2O + OH --> HCO + H2O C.D.W divided original rate expression by 2 (from A= 3.43E+09), to get rate expression per H atom. - -pg 419 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - OH Radical Reactions. - -Verified by Karma James - -pg.575-576: Discussion on evaluated data - -OH+CH2O --> H2O+HCO: The recommended rate coefficient is the value reported by Tsang - -and Hampson. -MRH 31-Aug-2009 - - ---- -237 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -CH2O + CH3O --> HCO + CH3OH C.D.W divided original rate expression by 2, to get rate expression per H atom. - -pg 1104, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 24,12. - -Verified by Karma James - -pg. 1245: Discussion on evaluated data - -Recommended data based on review by Gray, based on experiments performed by Hoare and Wellington. - -Authors note that experimental conditions were such that rxn of interest was -in competition with the disproportionation of two CH3O radicals (CH3O+CH3O-->CH3OH+CH2O) -MRH 28-Aug-2009 - - ---- -238 ---- -[133] Eiteneer, B.; Yu, C.-L.; Goldenberg, M.; Frenklach, M. J. Phys. Chem. A. 1998, 102, 5196. -CH2O + HO2 --> HCO + H2O2 C.D.W divided original rate expression by 2 (from A= 4.11E+04), to get rate expression per H atom. - - ---- -239 ---- -[95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; -Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - -CH3CHO + O2 --> CH3CO + HO2 - -pg 417 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - O2 Reactions. - -Verified by Karma James - -pg.485: Discussion on evaluated data - -O2+CH3CHO --> HO2+CH3CO: "For this evaluation we prefer the approach of Walker and - -the recommended value is based on the best current deltaH298 value (=163.8 kJ/mol -using deltaHf(CH3CO)=11.0 kJ/mol and deltaHf(HO2)=14.6 kJ/mol) and A=5.0x10^-11 -cm3/molecule/s." -MRH 31-Aug-2009 - - ---- -240 ---- -[134] Warnatz, J. Rate coefficeints in the C/H/O system. In Combustion Chemistry, 1984; pp 197. -CH3CHO + O --> CH3CO + OH - - ---- -241 ---- -[134] Warnatz, J. Rate coefficeints in the C/H/O system. In Combustion Chemistry, 1984; pp 197. -CH3CHO + H --> CH3CO + H2 - - ---- -242 ---- -[95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; -Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - -CH3CHO + CH3 --> CH3CO + CH4 - -pg 423 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - CH3 Radical Reactions. - -Verified by Karma James - -pg.671: Discussion on evaluated data - -CH3+CH3CHO --> CH4+CH3CO: "There are no direct studies of the kinetics of this reaction - -and all of the k values are relative to methyl recombination ... The preferred values -are based on a line constructed through the mean of the low temperature data and the -data of Liu and Laidler and Colket et al." -MRH 31-Aug-2009 - - ---- -243 ---- -[135] Loser, U.; Scherzer, K.; Weber, K. Z. Phys. Chem. (Leipzig) 1989, 270, 237. -CH3CHO + CH2CH=CH2 --> CH3CO + CH3CH=CH2 - - ---- -244 ---- -[136] Scherzer, K.; Loser, U.; Stiller, W. Z. Phys. Chem. 1987, 27, 300. -CH3CHO + C2H3 --> CH3CO + C2H4 - - ---- -245 ---- -[127] Taylor, P.H.; Rahman, M.S.; Arif, M.; Dellinger, B.; Marshall, P. Sypm. Int. Combust. Proc. 1996, 26, 497. -CH3CHO + OH --> CH3CO + H2O Pressure 0.13-0.97 atm. Rate constant is high pressure limit. - -pg 501, Table 1, k2 = 2.00x10^6 T^1.8 exp(1300/RT) - -Previous modified Arrhenius parameters had E=1.3 kcal/mol; it should be E=-1.3 kcal/mol - -Certified by MRH on 6Aug2009 - - ---- -246 ---- -[134] Warnatz, J. Rate coefficeints in the C/H/O system. In Combustion Chemistry, 1984; pp 197. -CH3CHO + OH --> CH3CO + H2O - - ---- -247 ---- -[95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; -Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - -CH3CHO + HO2 --> CH3CO + H2O2 - -pg 421 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - HO2 Radical Reactions. - -Verified by Karma James - -pg.614-615: Discussion on evaluated data - -HO2+CH3CHO --> CH3CO+H2O2: "The preferred expression is based on a value of 1.7x10^-14 - -cm3/molecule/s at 1050K from a study performed by Colket et al. and an assumed A -factor of 5.0x10^-12 cm3/molecule/s." -MRH 31-Aug-2009 - - ---- -248 ---- -[137] Mayer, S.W.; Schieler, L. J. Phys. Chem. 1968, 72, 2628. -http://dx.doi.org/10.1021/j100853a066 - -H2O + O2 --> OH + HO2. -C.D.W divided original rate expression by 2, to get rate expression per H atom. - - ---- -249 ---- -[138] Karach, S.P.; Oscherov, V.I. J. Phys. Chem. 1999, 110, 11918. -H2O + O --> OH + OH. C.D.W divided original rate expression by 2 (from A= 2.95E+39), to get rate expression per H atom. - - ---- -250 ---- -[139] Harding, L.B.; Wagner, A.F. Symp. Int. Combust. proc. 1989, 22, 983. -H2O + O --> OH + OH. C.D.W divided original rate expression by 2 (from A= 1.48E+05), to get rate expression per H atom. - - ---- -251 ---- -[95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; -Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - -H2O + H --> OH + H2. C.D.W divided original rate expression by 2, to get rate expression per H atom. - -pg 418 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - H Atom Reactions. - -NOTE: E0 Rference = 18.4, E0 RMG database = 19.32 - -Verified by Karma James - -pg.504: Discussion on evaluated data - -H+H2O --> OH+H2: "The recommended rate coefficient is based on the spare high temperature - -measurements and rate data of the reverse rxn combined with the equilibrium constant." -MRH agrees with Karma. However, the discrepancy is small and NIST's online database Webbook - -has an E = 19.32 kcal/mol. -MRH 31-Aug-2009 - - ---- -252 ---- -[140] Ma, S.; Liu, R.; Sci. China Ser. S: 1996, 39, 37. -H2O + CH3 --> OH + CH4. C.D.W divided original rate expression by 2 (from A= 6.39), to get rate expression per H atom. - - ---- -253 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -H2O + CH3 --> OH + CH4. C.D.W divided original rate expression by 2 (from A= 4.83E+02), to get rate expression per H atom. - -pg 1095, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 16,9. - -Verified by Karma James - -pg. 1163: Discussion on evaluated data - -Recommended data based on reverse rate and equilibrium constant - -MRH 28-Aug-2009 - - ---- -254 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -H2O + C2H5 --> OH + C2H6. C.D.W divided original rate expression by 2 (from A= 3.39E+06), to get rate expression per H atom. - -pg 1096, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 17,9. - -Verified by Karma James - -pg. 1177: Discussion on evaluated data - -Recommended data based on reverse rate and equilibrium constant - -MRH 28-Aug-2009 - - ---- -255 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -H2O + C2H3 --> OH + C2H4. C.D.W divided original rate expression by 2 (from A= 4.83E+02), to get rate expression per H atom. - -pg 1098, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 19,9. - -Verified by Karma James - -pg. 1196: Discussion on evaluated data - -Recommended data based on expression for CH3+H2O=CH4+OH - -MRH 28-Aug-2009 - - ---- -256 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -H2O + HCO --> OH + CH2O. C.D.W divided original rate expression by 2 (from A= 2.35E+08), to get rate expression per H atom. - -pg 1094, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 15,9. - -Verified by Karma James - -pg. 1150: Discussion on evaluated data - -Recommended data based on reverse rate and equilibrium constant - -MRH 28-Aug-2009 - - ---- -257 ---- -[141] Masgrau, L.; Gonzalez-Lafont, A.; Lluch, J.M. J. Phys. Chem. A. 1999, 103, 1044. -H2O + OH --> OH + H2O . C.D.W refitted their k(T) to get A, n, and Ea, and divided original rate expression by 2, to get rate expression per H atom. - -pg 1050, Table 4, Section: HO + HOH = HOH + OH(1), Column k_ab_CVT/SCT - -MRH computed modified Arrhenius parameters using least-squares regression: ln(k) = ln(A) + n*ln(T) - (E/R)*(1/T) - -E: Multiplied (E/R) expression by 1.987e-3 - -A: exp(ln(A)), multiplied by 6.02e23 (to convert /molecule to /mol) and divided by 2 (to get rate per H atom) - -Certified by MRH on 7Aug2009 - - ---- -258 ---- -[100] Jodkowski, J.T.; Rauez, M.-T.; Rayez, J.-C. J. Phys. Chem. A. 1999, 103, 3750. -H2O + CH3O --> OH + CH3OH C.D.W divided original rate expression by 2 (from A= 9.03E+08), to get rate expression per H atom.; This is Rxn. -R5 from mpaper - -Verified by Greg Magoon: note that this reaction is endothermic; the reverse (R5), appears as #267, below - ---- -259 ---- -[134] Warnatz, J. Rate coefficeints in the C/H/O system. In Combustion Chemistry, 1984; pp 197. -CH3OH + O --> CH3O + OH - - ---- -260 ---- -[90] Tsang, W. J. Phys. Chem. Ref. Data 1987, 16, 471. -CH3OH + CH2 --> CH3O + CH3 - -pg 475, Chemical Kinetic Database For Combustion Chemistry, Part 2 - Methanol. - -//Index of Reactions and Summary of Recommended Rate Expressions. No. 38,25. - -Verified by Karma James - -Data for Rate Expression 38,26 (pg. 493) - -Stated uncertainty factor is 3 - -Verified by MRH on 11Aug2009 - -Entry 38,26 (b): No data available at the time. Author suggests the rate coefficient - -expression for CH3+CH3OH=CH4+CH3O -MRH 30-Aug-2009 - - ---- -261 ---- -[100] Jodkowski, J.T.; Rauez, M.-T.; Rayez, J.-C. J. Phys. Chem. A. 1999, 103, 3750. -The calculated rate constants are in good agreement with experiment. CH3OH + CH3 --> CH3O + CH4 (Rxn. R3 from paper) - -Verified by Greg Magoon: I changed upper temperature to 2000 K (was 2500) in line with other reactions from same paper; note that according to the paper, this reaction is very slightly endothermic; the exothermic reverse (-R3) is included above as #177 - ---- -262 ---- -[90] Tsang, W. J. Phys. Chem. Ref. Data 1987, 16, 471. -CH3OH + C2H5 --> CH3O + C2H6 - -pg 475, Chemical Kinetic Database For Combustion Chemistry, Part 2 - Methanol. - -Index of Reactions and Summary of Recommended Rate Expressions. No. 38,17. - -Verified by Karma James - -pg. 489: Discussion on evaluated data - -Entry 38,17 (b): No data available at the time. Author notes ethyl radicals are known - -to be considerably less reactive than methyl. Author recommends the rate coefficient -expression of CH3+CH3OH=CH4+CH3O, with a slight adjustment (based on the observed -trends in methyl vs. ethyl radical reactivity with hydrocarbons). -MRH 30-Aug-2009 - -//263: [90] Tsang, W. J. Phys. Chem. Ref. Data 1987, 16, 471. - - ---- -263 ---- -[91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. -CH3OH + iso-C3H7 --> CH3O + C3H8 - -//WAS UNABLE TO VERIFY DATA!!! DATA NOT FOUND IN REFERENCE. - -Ref[90] was incorrect; rate matches that reported in Ref[91]. - -pg. 944: Discussion on evaluated data - -Entry 42,38 (b) - -No experimental data, at the time - -Recommended rate is based on C2H5+CH3OH=C2H6+CH3O - -Verified by MRH on 10Aug2009 - -MRH 30-Aug-2009 - -//264: [90] Tsang, W. J. Phys. Chem. Ref. Data 1987, 16, 471. - - ---- -264 ---- -[92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. -CH3OH + tert-C4H9 --> CH3O + iso-C4H10 - -//WAS UNABLE TO VERIFY DATA!!! DATA NOT FOUND IN REFERENCE. - -Ref[90] was incorrect; rate matches that reported in Ref[92]. - -pg.44: Discussion on evaluated data - -Entry 44,38(b) - -Reference reports reaction as: t-C4H9+CH3OH=t-C4H10+CH3O - -This is a typo: no t-C4H10 molecule exists (should be i-C4H10) -No experimental data, at the time - -Recommended rate is based on reverse rxn and equilibrium constant - -Verified by MRH on 10Aug2009 - - ---- -265 ---- -[90] Tsang, W. J. Phys. Chem. Ref. Data 1987, 16, 471. -CH3OH + C2H3 --> CH3O + C2H4 - -pg 475, Chemical Kinetic Database For Combustion Chemistry, Part 2 - Methanol. - -Index of Reactions and Summary of Recommended Rate Expressions. No. 38,19. - -Verified by Karma James - -pg. 489: Discussion on evaluated data - -Entry 38,19 (b): No data available at the time. Author recommends the rate coefficient - -expression for CH3+CH3OH=CH4+CH3O. -MRH 30-Aug-2009 - - ---- -266 ---- -[90] Tsang, W. J. Phys. Chem. Ref. Data 1987, 16, 471. -CH3OH + C2H --> CH3O + C2H2 - -pg 475, Chemical Kinetic Database For Combustion Chemistry, Part 2 - Methanol. - -Index of Reactions and Summary of Recommended Rate Expressions. No. 38,21. - -Verified by Karma James - -pg. 490: Discussion on evaluated data - -Entry 38,21 (b): No data available at the time. Author recommends a rate coefficient - -expression based on measurements of C2H+CH4 and C2H+C2H6 rxns -MRH 30-Aug-2009 - - ---- -267 ---- -[100] Jodkowski, J.T.; Rauez, M.-T.; Rayez, J.-C. J. Phys. Chem. A. 1999, 103, 3750. -The calculated rate constants are in good agreement with experiment. CH3OH + OH --> CH3O + H2O (Rxn. R5 from paper) - -Verified by Greg Magoon (cf. reverse, #258, above) - ---- -268 ---- -[134] Warnatz, J. Rate coefficeints in the C/H/O system. In Combustion Chemistry, 1984; pp 197. -CH3OH + OH --> CH3O + H2O - - ---- -301 ---- -MRH CBS-QB3 calculations w/o HR corrections -H2O2 + *CH2CH2CH2CH2OH = nButanol + HO2 - -CBS-QB3 method was used to calculate electronic energy of reactants, products, and TS; frequencies were -calculated using B3LYP/CBSB7 method. Arrhenius expression was computed using CanTherm: an asymmetric Eckart -tunneling correction was employed and the frequencies were scaled by 0.99 (as suggested by Montgomery et al. -J.Chem.Phys. 110 (1999) 2822-2827). The external symmetry number for H2O2 was 2; the external symmetry number -for the remaining species and TS were set to 1. The rate coefficient was computed at 600-2000K (in 200 K increments). -The computed pre-exponential factor was divided by 2 and this is the reported value. - -For nButanol+HO2=H2O2+*CH2CH2CH2CH2OH: -Moc et al. (AIP Conference Proceedings (2009) 1148 161-164 "The Unimolecular Decomposition -and H Abstraction Reactions by HO and HO2 from n-Butanol") report reaction barriers and -enthalpies(0 K); our CBS-QB3 calculations are shown in comparison (all units are kcal/mol). - G3 CCSD(T)/cc-pVTZ CBS-QB3 -Barrier: 18.8 19.62 17.57 -Enthalpy: 14.25 14.66 13.70 - ---- -302 ---- -MRH CBS-QB3 calculations w/o HR corrections -H2O2 + CH3*CHCH2CH2OH = nButanol + HO2 - -CBS-QB3 method was used to calculate electronic energy of reactants, products, and TS; frequencies were -calculated using B3LYP/CBSB7 method. Arrhenius expression was computed using CanTherm: an asymmetric Eckart -tunneling correction was employed and the frequencies were scaled by 0.99 (as suggested by Montgomery et al. -J.Chem.Phys. 110 (1999) 2822-2827). The external symmetry number for H2O2 was 2; the external symmetry number -for the remaining species and TS were set to 1. The rate coefficient was computed at 600-2000K (in 200 K increments). -The computed pre-exponential factor was divided by 2 and this is the reported value. - -For nButanol+HO2=H2O2+CH3*CHCH2CH2OH: -Moc et al. (AIP Conference Proceedings (2009) 1148 161-164 "The Unimolecular Decomposition -and H Abstraction Reactions by HO and HO2 from n-Butanol") report reaction barriers and -enthalpies(0 K); our CBS-QB3 calculations are shown in comparison (all units are kcal/mol). - G3 CCSD(T)/cc-pVTZ CBS-QB3 -Barrier: 14.64 15.47 14.72 -Enthalpy: 11.05 12.41 10.11 - ---- -303 ---- -MRH CBS-QB3 calculations w/o HR corrections -H2O2 + CH3CH2*CHCH2OH = nButanol + HO2 - -CBS-QB3 method was used to calculate electronic energy of reactants, products, and TS; frequencies were -calculated using B3LYP/CBSB7 method. Arrhenius expression was computed using CanTherm: an asymmetric Eckart -tunneling correction was employed and the frequencies were scaled by 0.99 (as suggested by Montgomery et al. -J.Chem.Phys. 110 (1999) 2822-2827). The external symmetry number for H2O2 was 2; the external symmetry number -for the remaining species and TS were set to 1. The rate coefficient was computed at 600-2000K (in 200 K increments). -The computed pre-exponential factor was divided by 2 and this is the reported value. - -For nButanol+HO2=H2O2+CH3CH2*CHCH2OH: -Moc et al. (AIP Conference Proceedings (2009) 1148 161-164 "The Unimolecular Decomposition -and H Abstraction Reactions by HO and HO2 from n-Butanol") report reaction barriers and -enthalpies(0 K); our CBS-QB3 calculations are shown in comparison (all units are kcal/mol). - G3 CCSD(T)/cc-pVTZ CBS-QB3 -Barrier: 15.43 16.37 16.33 -Enthalpy: 13.53 14.02 11.48 - ---- -304 ---- -MRH CBS-QB3 calculations w/o HR corrections -H2O2 + CH3CH2CH2*CHOH = nButanol + HO2 - -CBS-QB3 method was used to calculate electronic energy of reactants, products, and TS; frequencies were -calculated using B3LYP/CBSB7 method. Arrhenius expression was computed using CanTherm: an asymmetric Eckart -tunneling correction was employed and the frequencies were scaled by 0.99 (as suggested by Montgomery et al. -J.Chem.Phys. 110 (1999) 2822-2827). The external symmetry number for H2O2 was 2; the external symmetry number -for the remaining species and TS were set to 1. The rate coefficient was computed at 600-2000K (in 200 K increments). -The computed pre-exponential factor was divided by 2 and this is the reported value. - -For nButanol+HO2=H2O2+CH3CH2CH2*CHOH: -Moc et al. (AIP Conference Proceedings (2009) 1148 161-164 "The Unimolecular Decomposition -and H Abstraction Reactions by HO and HO2 from n-Butanol") report reaction barriers and -enthalpies(0 K); our CBS-QB3 calculations are shown in comparison (all units are kcal/mol). - G3 CCSD(T)/cc-pVTZ CBS-QB3 -Barrier: 12.62 13.23 11.74 -Enthalpy: 8.35 8.63 7.17 - ---- -305 ---- -MRH CBS-QB3 calculations w/o HR corrections -H2O2 + *CH2CH2CH[OH]CH3 = 2-Butanol + HO2 - -CBS-QB3 method was used to calculate electronic energy of reactants, products, and TS; frequencies were -calculated using B3LYP/CBSB7 method. Arrhenius expression was computed using CanTherm: an asymmetric Eckart -tunneling correction was employed and the frequencies were scaled by 0.99 (as suggested by Montgomery et al. -J.Chem.Phys. 110 (1999) 2822-2827). The external symmetry number for H2O2 was 2; the external symmetry number -for the remaining species and TS were set to 1. The rate coefficient was computed at 600-2000K (in 200 K increments). -The computed pre-exponential factor was divided by 2 and this is the reported value. - ---- -306 ---- -MRH CBS-QB3 calculations w/o HR corrections -H2O2 + CH3*CHCH[OH]CH3 = 2-Butanol + HO2 - -CBS-QB3 method was used to calculate electronic energy of reactants, products, and TS; frequencies were -calculated using B3LYP/CBSB7 method. Arrhenius expression was computed using CanTherm: an asymmetric Eckart -tunneling correction was employed and the frequencies were scaled by 0.99 (as suggested by Montgomery et al. -J.Chem.Phys. 110 (1999) 2822-2827). The external symmetry number for H2O2 was 2; the external symmetry number -for the remaining species and TS were set to 1. The rate coefficient was computed at 600-2000K (in 200 K increments). -The computed pre-exponential factor was divided by 2 and this is the reported value. - ---- -307 ---- -MRH CBS-QB3 calculations w/o HR corrections -H2O2 + CH3CH2*C[OH]CH3 = 2-Butanol + HO2 - -CBS-QB3 method was used to calculate electronic energy of reactants, products, and TS; frequencies were -calculated using B3LYP/CBSB7 method. Arrhenius expression was computed using CanTherm: an asymmetric Eckart -tunneling correction was employed and the frequencies were scaled by 0.99 (as suggested by Montgomery et al. -J.Chem.Phys. 110 (1999) 2822-2827). The external symmetry number for H2O2 was 2; the external symmetry number -for the remaining species and TS were set to 1. The rate coefficient was computed at 600-2000K (in 200 K increments). -The computed pre-exponential factor was divided by 2 and this is the reported value. - ---- -308 ---- -MRH CBS-QB3 calculations w/o HR corrections -H2O2 + CH3CH2CH[OH]*CH2 = 2-Butanol + HO2 - -CBS-QB3 method was used to calculate electronic energy of reactants, products, and TS; frequencies were -calculated using B3LYP/CBSB7 method. Arrhenius expression was computed using CanTherm: an asymmetric Eckart -tunneling correction was employed and the frequencies were scaled by 0.99 (as suggested by Montgomery et al. -J.Chem.Phys. 110 (1999) 2822-2827). The external symmetry number for H2O2 was 2; the external symmetry number -for the remaining species and TS were set to 1. The rate coefficient was computed at 600-2000K (in 200 K increments). -The computed pre-exponential factor was divided by 2 and this is the reported value. - ---- -309 ---- -MRH CBS-QB3 calculations w/o HR corrections -H2O2 + HOC[*CH2][CH3][CH3] = tert-Butanol + HO2 - -CBS-QB3 method was used to calculate electronic energy of reactants, products, and TS; frequencies were -calculated using B3LYP/CBSB7 method. Arrhenius expression was computed using CanTherm: an asymmetric Eckart -tunneling correction was employed and the frequencies were scaled by 0.99 (as suggested by Montgomery et al. -J.Chem.Phys. 110 (1999) 2822-2827). The external symmetry number for H2O2 was 2; the external symmetry number -for the remaining species and TS were set to 1. The rate coefficient was computed at 600-2000K (in 200 K increments). -The computed pre-exponential factor was divided by 2 and this is the reported value. - ---- -310 ---- -JDM increased the activation energy for the abstraction of a vinyl-H hydrogen by O2. August 2010. -Using the Evans-Polanyi principle with alpha = 1, the activation energy was increased by delta(vinyl radical - alkyl radical) = 9.6 kcal/mol. -Reaction rate 154 was the basis for this. - -Previously, rates had been calculated by an averaging-of-averages technique, which resulted in the abstraction of vinyl-H's being orders of magnitude faster than the abstraction of alkyl-H's. - -These rates have been calculated based on rates of primary- and secondary-alkyl H-abstractions by O2. -The A-factors have remained the same. - ---- -311 ---- -JDM increased the activation energy for the abstraction of a vinyl-H hydrogen by O2. August 2010. -Using the Evans-Polanyi principle with alpha = 1, the activation energy was increased by delta(vinyl radical - alkyl radical) = 9.6 kcal/mol. -Reaction rate 179 was the basis for this. - -Previously, rates had been calculated by an averaging-of-averages technique, which resulted in the abstraction of vinyl-H's being orders of magnitude faster than the abstraction of alkyl-H's. - -These rates have been calculated based on rates of primary- and secondary-alkyl H-abstractions by O2. -The A-factors have remained the same. - ---- -312 ---- -JDM increased the activation energy for the abstraction of a vinyl-H hydrogen by O2. August 2010. -Using the Evans-Polanyi principle with alpha = 1, the activation energy was increased by delta(vinyl radical - alkyl radical) = 9.6 kcal/mol. -Reaction rate 155 was the basis for this. - -Previously, rates had been calculated by an averaging-of-averages technique, which resulted in the abstraction of vinyl-H's being orders of magnitude faster than the abstraction of alkyl-H's. - -These rates have been calculated based on rates of primary- and secondary-alkyl H-abstractions by O2. -The A-factors have remained the same. - ---- -313 ---- -JDM increased the activation energy for the abstraction of a vinyl-H hydrogen by O2. August 2010. -Using the Evans-Polanyi principle with alpha = 1, the activation energy was increased by delta(vinyl radical - alkyl radical) = 9.6 kcal/mol. -Reaction rate 188 was the basis for this. - -Previously, rates had been calculated by an averaging-of-averages technique, which resulted in the abstraction of vinyl-H's being orders of magnitude faster than the abstraction of alkyl-H's. - -These rates have been calculated based on rates of primary- and secondary-alkyl H-abstractions by O2. -The A-factors have remained the same. - ---- -500 ---- -MRH CBS-QB3 calculations w/o HR corrections -CH2O + H2C=C[*CH2][CH3] = HCO + H2C=C[CH3]2 - -Geometries and energies of reactants, products, and TS were computed using the CBS-QB3 methodology; frequencies -were calculated at B3LYP/CBSB7. Arrhenius expression was computed using CanTherm; an asymmetric Eckart tunneling -correction was employed and the frequencies were scaled by 0.99 (as suggested by Montgomergy et al.; J. Chem. Phys. -110 (1999) 2822-2827). The Arrhenius fit was based on k(T) at T=600, 800, 1000, 1200, 1400, 1600, 1800, and 2000K. -The external symmetry number for CH2O and iso-butene was 2; the external symmetry for all others was 1. The -electronic spin multiplicity was 1 for CH2O and iso-butene; the electronic spin multiplicity for all others was 2. -The computed pre-exponential factor was divided by 2 (symmetry of CH2O), from 6.13e-02 to 3.065e-02. - -There are no rate coefficients for this reaction in the literature (based on MRH's limited search). - Tsang {J. Phys. Chem. Ref. Data 20 (1991) 221-273} recommends the following for the reaction of - CH2O + H2C=CH-*CH2 = HCO + H2C=CH-CH3: k(T) = 1.26e+08 * T^1.9 * exp(-18.184 kcal/mol / RT) cm3 mol-1 s-1. - This rate coefficient is 25-85x faster than MRH's calculation over the range 600-2000K. - - The previous estimate by RMG for this reaction was: k(T) = 5.500e+03 * T^2.81 * exp(-5.86 kcal/mol / RT) cm3 mol-1 s-1. - This rate coefficient is 80-13,000x faster than MRH's calculation over the range 600-2000K. - ---- -501 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. Pre-exponential was divided by 2 to get per-H value. - -InChI=1/C3H8/c1-3-2/h3H2,1-2H3 (external symmetry number = 2, spin multiplicity = 1) - + -InChI=1/C4H9O/c1-4(2)3-5/h5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C3H7/c1-3-2/h3H,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - + -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - ----- -1002 ----- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. - -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - + -InChI=1/C3H7/c1-3-2/h3H,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C4H9O/c1-4(2)3-5/h5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - + -InChI=1/C3H8/c1-3-2/h3H2,1-2H3 (external symmetry number = 2, spin multiplicity = 1) - -Tsang [Tsang1990]_ recommends k(T) = 1.51e-03 * (T/K)^4.2 * exp(-5.96 kcal/mol /RT) cm3 mol-1 s-1 -for the reaction iso-C4H10 + iso-C3H7 = C3H8 + tert-C4H9. The new rate coefficient expression is -in good agreement with this expression (within a factor of 3.5 over the valid temperature range). - ---- -502 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. Pre-exponential was divided by 2 to get per-H value. - -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - + -InChI=1/C3H7/c1-3-2/h3H,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C4H9O/c1-4(2)3-5/h3-5H,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - + -InChI=1/C3H8/c1-3-2/h3H2,1-2H3 (external symmetry number = 2, spin multiplicity = 1) - ---- -503 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. Pre-exponential was divided by 6 to get per-H value. - -InChI=1/C4H8/c1-4(2)3/h1H2,2-3H3 (external symmetry number = 2, spin multiplicity = 1) - + -InChI=1/C4H9O/c1-4(2)3-5/h4-5H,1,3H2,2H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C4H7/c1-4(2)3/h1-2H2,3H3 (external symmetry number = 1, spin multiplicity = 2) - + -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - ---- -504 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. Pre-exponential was divided by 6 to get per-H value. - -InChI=1/C4H8/c1-4(2)3/h1H2,2-3H3 (external symmetry number = 2, spin multiplicity = 1) - + -InChI=1/C4H9O/c1-4(2)3-5/h5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C4H7/c1-4(2)3/h1-2H2,3H3 (external symmetry number = 1, spin multiplicity = 2) - + -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - ---- -505 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. Pre-exponential was divided by 6 to get per-H value. - -InChI=1/C4H8/c1-4(2)3/h1H2,2-3H3 (external symmetry number = 2, spin multiplicity = 1) - + -InChI=1/C4H9O/c1-4(2)3-5/h3-5H,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C4H7/c1-4(2)3/h1-2H2,3H3 (external symmetry number = 1, spin multiplicity = 2) - + -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - ---- -506 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. Pre-exponential was divided by 6 to get per-H value. - -InChI=1/C4H8/c1-4(2)3/h1H2,2-3H3 (external symmetry number = 2, spin multiplicity = 1) - + -InChI=1/C4H9O/c1-4(2)3-5/h4H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C4H7/c1-4(2)3/h1-2H2,3H3 (external symmetry number = 1, spin multiplicity = 2) - + -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - ---- -507 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. Pre-exponential was divided by 3 to get per-H value. - -InChI=1/C3H6/c1-3-2/h3H,1H2,2H3 (external symmetry number = 1, spin multiplicity = 1) - + -InChI=1/C4H9O/c1-4(2)3-5/h4-5H,1,3H2,2H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C3H5/c1-3-2/h3H,1-2H2 (external symmetry number = 2, spin multiplicity = 2) - + -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - -Tsang [Tsang1991]_ recommends k(T) = 2.23e+00 * (T/K)^3.5 * exp(-6.64 kcal/mol /RT) cm3 mol-1 s-1 -for the reaction C3H6 + iso-C4H9 = iso-C4H10 + C3H5. The new rate coefficient expression is -in good agreement with this expression (within 10% over most of the valid temperature range). - ---- -508 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. Pre-exponential was divided by 3 to get per-H value. - -InChI=1/C3H6/c1-3-2/h3H,1H2,2H3 (external symmetry number = 1, spin multiplicity = 1) - + -InChI=1/C4H9O/c1-4(2)3-5/h5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C3H5/c1-3-2/h3H,1-2H2 (external symmetry number = 2, spin multiplicity = 2) - + -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - -Tsang [Tsang1991]_ recommends k(T) = 3.01e-05 * (T/K)^4.9 * exp(-7.95 kcal/mol /RT) cm3 mol-1 s-1 -for the reaction C3H6 + tert-C4H9 = iso-C4H10 + C3H5. The new rate coefficient expression is faster -by as much as 10x over of the valid temperature range. - ---- -509 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. Pre-exponential was divided by 3 to get per-H value. - -InChI=1/C3H6/c1-3-2/h3H,1H2,2H3 (external symmetry number = 1, spin multiplicity = 1) - + -InChI=1/C4H9O/c1-4(2)3-5/h3-5H,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C3H5/c1-3-2/h3H,1-2H2 (external symmetry number = 2, spin multiplicity = 2) - + -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - ---- -510 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. Pre-exponential was divided by 3 to get per-H value. - -InChI=1/C3H6/c1-3-2/h3H,1H2,2H3 (external symmetry number = 1, spin multiplicity = 1) - + -InChI=1/C4H9O/c1-4(2)3-5/h4H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C3H5/c1-3-2/h3H,1-2H2 (external symmetry number = 2, spin multiplicity = 2) - + -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - ---- -511 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. Pre-exponential was divided by 6 to get per-H value. - -InChI=1/C2H6/c1-2/h1-2H3 (external symmetry number = 6, spin multiplicity = 1) - + -InChI=1/C4H9O/c1-4(2)3-5/h4-5H,1,3H2,2H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C2H5/c1-2/h1H2,2H3 (external symmetry number = 1, spin multiplicity = 2) - + -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - -Tsang [Tsang1990]_ recommends k(T) = 2.894e-01 * (T/K)^3.7 * exp(-9.78 kcal/mol /RT) cm3 mol-1 s-1 -for the reaction C2H6 + iso-C4H9 = iso-C4H10 + C2H5. The new rate coefficient expression is faster -by 10-100x over of the valid temperature range. - ---- -512 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. - -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - + -InChI=1/C2H5/c1-2/h1H2,2H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C4H9O/c1-4(2)3-5/h5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - + -InChI=1/C2H6/c1-2/h1-2H3 (external symmetry number = 6, spin multiplicity = 1) - -Tsang [Tsang1990]_ recommends k(T) = 5.41e-01 * (T/K)^3.46 * exp(-5.96 kcal/mol /RT) cm3 mol-1 s-1 -for the reaction iso-C4H10 + C2H5 = C2H6 + tert-C4H9. The new rate coefficient expression is -in good agreement with this expression (within a factor of 1.6 over the valid temperature range). - ---- -513 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. Pre-exponential was divided by 2 to get per-H value. - -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - + -InChI=1/C2H5/c1-2/h1H2,2H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C4H9O/c1-4(2)3-5/h3-5H,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - + -InChI=1/C2H6/c1-2/h1-2H3 (external symmetry number = 6, spin multiplicity = 1) - ---- -514 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. Pre-exponential was divided by 6 to get per-H value. - -InChI=1/C2H6/c1-2/h1-2H3 (external symmetry number = 6, spin multiplicity = 1) - + -InChI=1/C4H9O/c1-4(2)3-5/h4H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C2H5/c1-2/h1H2,2H3 (external symmetry number = 1, spin multiplicity = 2) - + -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - ---- -515 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. - -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - + -InChI=1/C2H3/c1-2/h1H,2H2 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C4H9O/c1-4(2)3-5/h5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - + -InChI=1/C2H4/c1-2/h1-2H2 (external symmetry number = 4, spin multiplicity = 1) - -Tsang [Tsang1990]_ recommends k(T) = 9.04e-01 * (T/K)^3.46 * exp(-2.60 kcal/mol /RT) cm3 mol-1 s-1 -for the reaction iso-C4H10 + C2H3 = C2H4 + tert-C4H9. The new rate coefficient is faster by 4-10x -over the valid temperature range. - ---- -516 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. Pre-exponential was divided by 6 to get per-H value. - -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - + -InChI=1/C3H5/c1-3-2/h1H2,2H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C4H9O/c1-4(2)3-5/h4-5H,1,3H2,2H3 (external symmetry number = 1, spin multiplicity = 2) - + -InChI=1/C3H6/c1-3-2/h3H,1H2,2H3 (external symmetry number = 1, spin multiplicity = 1) - ---- -517 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. Pre-exponential was divided by 2 to get per-H value. - -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - + -InChI=1/C3H5/c1-3-2/h1H2,2H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C4H9O/c1-4(2)3-5/h3-5H,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - + -InChI=1/C3H6/c1-3-2/h3H,1H2,2H3 (external symmetry number = 1, spin multiplicity = 1) - ---- -518 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. Pre-exponential was divided by 2 to get per-H value. - -InChI=1/C3H6O/c1-2-3-4/h3H,2H2,1H3 (external symmetry number = 1, spin multiplicity = 1) - + -InChI=1/C4H9O/c1-4(2)3-5/h4-5H,1,3H2,2H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C3H5O/c1-2-3-4/h2-3H,1H3 (external symmetry number = 1, spin multiplicity = 2) - + -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - ---- -519 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. - -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - + -InChI=1/C3H5O/c1-2-3-4/h2-3H,1H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C4H9O/c1-4(2)3-5/h5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - + -InChI=1/C3H6O/c1-2-3-4/h3H,2H2,1H3 (external symmetry number = 1, spin multiplicity = 1) - ---- -520 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. Pre-exponential was divided by 2 to get per-H value. - -InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - + -InChI=1/C3H5O/c1-2-3-4/h2-3H,1H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C4H9O/c1-4(2)3-5/h3-5H,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - + -InChI=1/C3H6O/c1-2-3-4/h3H,2H2,1H3 (external symmetry number = 1, spin multiplicity = 1) - ---- -521 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. - -InChI=1/C4H8O/c1-4(2)3-5/h3-4H,1-2H3 (external symmetry number = 1, spin multiplicity = 1) - + -InChI=1/H (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C4H7O/c1-4(2)3-5/h3H,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - + -InChI=1/H2/h1H (external symmetry number = 2, spin multiplicity = 1) - ---- -522 ---- -MRH CBS-QB3 calculations w/RRHO [MRHCBSQB3RRHO]_. Pre-exponential was divided by 6 to get per-H value. - -InChI=1/C4H8/c1-4(2)3/h1H2,2-3H3 (external symmetry number = 2, spin multiplicity = 1) - + -InChI=1/C3H5O/c1-2-3-4/h2-3H,1H3 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C4H7/c1-4(2)3/h1-2H2,3H3 (external symmetry number = 1, spin multiplicity = 2) - + -InChI=1/C3H6O/c1-2-3-4/h2-4H,1H3/ (external symmetry number = 1, spin multiplicity = 1) - ---- -523 ---- -ROH + .OO. --> HOO. + RO. - -This rate coefficient is an estimate from W.H. Green (personal communication). The pre-exponential factor has been - divided by 2 (from 1e11 to 5e10), to account for the symmetry of .OO. The temperature range is estimated as 300-2000 K - and the rank is assigned 1, so that this rate coefficient estimate will be used in all instances. -This is simply an estimate; JDM and/or MRH will refine this value in the near future. -See also rate 532 for X_H + .OO. --> HOO. + X. - ---- -524 ---- -This rate rules matches C=C-CH3 + HO-O* <=> C=C-CH2* + H2O2 - -Due to lack of better estimate SSM has given this node the value obtained from 2-Butene + HO2 calculations (Rate rule 525) -The rate was calculated using CBS-QB3 w/o hindered rotors and is valid in a range of temperature from 300 -2000 K. -The Wigner tunneling currection that was used to account for tunneling. - ---- -525 ---- -SSM CBS-QB3 calculations w/RRHO . Pre-exponential was divided by 6 to get per-H value. - -InChI=1/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+ (external symmetry number = 2, spin multiplicity = 1) - + -HO2 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C4H7/c1-3-4-2/h3-4H,1H2,2H3 (external symmetry number = 1, spin multiplicity = 2) - + -H2O2 (external symmetry number = 2, spin multiplicity = 1) - ---- -526 ---- -This rate rules matches C=C*-C + H2O2 <=> C=C-C + HO-O* - -Due to lack of better estimate SSM has given this node the value obtained from 2-Butene + HO2 calculations (Rate rule 527) -The rate was calculated using CBS-QB3 w/o hindered rotors and is valid in a range of temperature from 300 -2000 K. -The Wigner tunneling currection that was used to account for tunneling. - ---- -527 ---- -SSM CBS-QB3 calculations w/RRHO . Pre-exponential was divided by 2 to account for summetry of H2O2 -The rate rule is valid in a range of temperature from 300 -2000 K. -The Wigner tunneling currection that was used to account for tunneling. - -InChI=1/C4H7/c1-3-4-2/h3H,1-2H3 (external symmetry number = 1, spin multiplicity = 2) - + -H2O2 (external symmetry number = 2, spin multiplicity = 1) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+ (external symmetry number = 2, spin multiplicity = 1) - + -HO2 (external symmetry number = 1, spin multiplicity = 2) - ---- -528 ---- -This rate rules matches Cs-CH2-C=C + HO-O* <=> Cs-CH*-C=C + H2O2 - -Due to lack of better estimate SSM has given this node the value obtained from 1-Butene + HO2 calculations (Rate rule 529) -The rate was calculated using CBS-QB3 w/o hindered rotors and is valid in a range of temperature from 300 -2000 K. -The Wigner tunneling currection that was used to account for tunneling. - - ---- -529 ---- -SSM CBS-QB3 calculations w/RRHO . Pre-exponential was divided by 2 to get per-H value. -The rate rule is valid in a range of temperature from 300 -2000 K. -The Wigner tunneling currection that was used to account for tunneling. - -InChI=1/C4H8/c1-3-4-2/h3H,1,4H2,2H3 (external symmetry number = 1, spin multiplicity = 1) - + -HO2 (external symmetry number = 1, spin multiplicity = 2) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C4H7/c1-3-4-2/h3-4H,1H2,2H3 (external symmetry number = 1, spin multiplicity = 2) - + -H2O2 (external symmetry number = 2, spin multiplicity = 1) - ---- -530 ---- -This rate rules matches C-HC=CH* + H2O2 <=> C-HC=CH2 + HO=O* - -Due to lack of better estimate SSM has given this node the value obtained from 1-Butene + HO2 calculations (Rate rule 531) -The rate was calculated using CBS-QB3 w/o hindered rotors and is valid in a range of temperature from 300 -2000 K. -The Wigner tunneling currection that was used to account for tunneling. - ---- -531 ---- -SSM CBS-QB3 calculations w/RRHO . Pre-exponential was divided by 2 to account for summetry of H2O2 -The rate rule is valid in a range of temperature from 300 -2000 K. -The Wigner tunneling currection that was used to account for tunneling. - -InChI=1/C4H7/c1-3-4-2/h1,3H,4H2,2H3 (external symmetry number = 1, spin multiplicity = 2) - + -H2O2 (external symmetry number = 2, spin multiplicity = 1) - <=> (TS: external symmetry number = 1, spin multiplicity = 2) -InChI=1/C4H8/c1-3-4-2/h3H,1,4H2,2H3 (external symmetry number = 1, spin multiplicity = 1) - + -HO2 (external symmetry number = 1, spin multiplicity = 2) - ---- -532 ---- -X_H + .OO. --> HOO. + X. - -I have taken the estimated rate from 523, which assumes A=1e11 with Ea=enthothermicity, -and assigned it to the top level X_H node so that whenever .OO. is abstracting from -something without a proper rate, this value is used instead of the lengthy average. -See notes to 523 for further details. - ---- -533 ---- - -For CH4 + C2 = CH3 + C2H - -J. Phys. Chem. A 2010, 114, 4580-4585 -http://dx.doi.org/10.1021/jp1012494 - -Rate Constants and Kinetic Isotope Effects on the Reaction of C2($X^1\Sigma_g^+$) with CH4 and CD4. -Akira Matsugi, Kohsuke Suma, and Akira Miyoshi - -It was measured at pretty low temperatures (294-376), but also calculated ab initio. The calculated -rates are plotted but the expression is not reported. - - k = (10.0 +- 2.1)E-11 exp[-(4.4+-0.5 kJ mol)/RT] cm3 molecule-1 s-1 -which gives - A = 6e13+-1.3e13 cm3/mole/s - n = 0 - Ea = 1.05+-0.12 kcal/mol -The degeneracy of this reaction is 8 though, so per-site A is: - A = 7.5e12+-1.6e12 - -(See also doi:10.1063/1.3480395 for reactions of C2, but that may be the wrong electronic state.) - ---- -534 ---- - -Exact reaction: HOOH + *O-CH=CH-C2H5 <=> HO-CH=CH-C2H5 + HOO* -Rxn family nodes: H2O2 + InChI=1/C4H7O/c1-2-3-4-5/h3-4H,2H2,1H3 - -MHS computed rate coefficient using CBS-QB3 method, see _[MRHCBSQB3RRHO] for general algorithm -employed. Two differences:: - 1) the k(T) was calculated from 600 to 2000 K, in 200 K increments. - 2) Low-frequency torsional modes were treated as 1-d separable hindered rotors. The scans - were performed at the B3LYP/6-31G(d) level. - -MHS computed the fitted Arrhenius expression to be: k(T) = 6.99e-2 (T/1K)^3.75 exp(-10.89 kcal mol-1 / RT) cm3 mol-1 s-1. -The pre-exponential was divided by 2 to get the per-H event. The uncertainty in the E0 -was estimated to be 2 kcal mol-1 (general accuracy of CBS-QB3 calculations) and the uncertainty -in the A parameter was MRH guess. - -RMG previously estimated the kinetics of the titled reaction to be ~10^3 times faster -than calculations of MHS. - ---- -535 ---- - -Rxn family nodes: H2O2 + O_rad/OneDe - -The rate coefficient for this node was taken from node 534 (H2O2 + InChI=1/C4H7O/c1-2-3-4-5/h3-4H,2H2,1H3) -by analogy: HOOH + *O-C=R. Discussed with MRH. - ---- -536 ---- - -Exact reaction: HOOH + *O-O-CH3 <=> HO-O-CH3 + HOO* -Rxn family nodes: H2O2 + OOCH3 - -MHS computed rate coefficient using CBS-QB3 method, see _[MRHCBSQB3RRHO] for general algorithm -employed. Two differences:: - 1) the k(T) was calculated from 600 to 2000 K, in 200 K increments. - 2) Low-frequency torsional modes were treated as 1-d separable hindered rotors. The scans - were performed at the B3LYP/6-31G(d) level. - -MHS computed the fitted Arrhenius expression to be: k(T) = 1.84e-1 (T/1K)^3.96 exp(-6.63 kcal mol-1 / RT) cm3 mol-1 s-1. -The pre-exponential was divided by 2 to get the per-H event. The uncertainty in the E0 -was estimated to be 2 kcal mol-1 (general accuracy of CBS-QB3 calculations) and the uncertainty -in the A parameter was MRH guess. - -RMG previously estimated the kinetics of the titled reaction to be 1-3 orders of magnitude faster -than calculations of MHS. - ---- -537 ---- - -Rxn family nodes: H2O2 + O_rad/NonDeO - -The rate coefficient for this node was taken from node 536 (H2O2 + OOCH3) -by analogy: HOOH + *O-O-R. Discussed with MRH. - ---- -538 ---- -MRH CBS-QB3 calculations w/1d hindered rotor corrections -Exact reaction: CH3CH2CH=CH2 + OOCH3 = HOOCH3 + CH3CHCH=CH2 - -This reaction was of interest to MRH/MHS because the butanol model was sensitive to its kinetics -(in particular, the C4H8-1 predicted concentration for 10-atm JSR simulations between 800-1000 K). -The original mechanism had an estimate that was much faster than these new calculations (the RMG old -k(T) was 50-100x faster than these calculations between 800-1000 K). - -MRH computed these kinetics using the CBS-QB3 method. Hindered rotor corrections were accounted for in all species: - CH3CH2CH=CH2: -CH3 and -CH2CH3 rotor - OOCH3: -CH3 rotor - TS: -CH3 and -CH=CH2 rotor of react1, -CH3 and -OCH3 of react2, and -OOCH3 between react1 and react2 - HOOCH3: -CH3 and -OCH3 rotor - CH3CHCH=CH2: -CH3 and -CH=CH2 rotor -External symmetry number of all speces was 1. k(T) was computed from 600 - 2000 K, in 200 K intervals. An -asymmetric Eckart tunneling correction was used. - -The computed k(T) was 1.482e-02 * (T/1K)^4.313 * exp(-8.016 kcal/mol / RT) cm3 mol-1 s-1. -MRH divided the pre-exponential by 2 to account for the reaction path degeneracy. - -NOTE: Running PopulateReactions before and after this number produced results that differed by less than a factor -of three. New numbers in the RMG database thus lead to an improvement in the RMG estimate (RMG works!). Also, -this computed rate coefficient is a factor of 10 faster than Tsang's recommendation for C3H6 + OOCH3 = HOOCH3 + allyl; -his stated uncertainty is a factor of ten. However, one would expect abstraction from the secondary carbon of -1-butane to be faster than the primary carbon of propene, because the C-H bond strength should be weaker. So, -this calculation is in reasonable agreement with the literature. - ---- -539 ---- -MHS CBS-QB3 calculations w/1d hindered rotor corrections -Exact reaction: *CH2-CH=CH2 + H2O2 = CH3-CH=CH2 + HO2 - -MHS computed rate coefficient using CBS-QB3 method, see _[MRHCBSQB3RRHO] for general algorithm -employed. Two differences:: - 1) the k(T) was calculated from 600 to 2000 K, in 200 K increments. - 2) Low-frequency torsional modes were treated as 1-d separable hindered rotors. The scans - were performed at the B3LYP/6-31G(d) level. - -MHS computed the fitted Arrhenius expression to be: k(T) = 3.51e-2 (T/1K)^4.22 exp(-9.86 kcal mol-1 / RT) cm3 mol-1 s-1. -The pre-exponential was divided by 2 to get the per-H event. The uncertainty in the E0 -was estimated to be 2 kcal mol-1 (general accuracy of CBS-QB3 calculations) and the uncertainty -in the A parameter was MRH guess. - -RMG previously estimated the kinetics of the titled reaction to be ~2 orders of magnitude faster -than calculations of MHS. - ---- -540 ---- -MHS CBS-QB3 calculations without 1d hindered rotor correction (due to presence of hydrogen bond interactions) -Exact reaction: HO2 + CH3-CH2-CH2-CH=O = H2O2 + CH3-CH2-CH2-C*=O - -MHS computed rate coefficient using CBS-QB3 method, see _[MRHCBSQB3RRHO] for general algorithm -employed. With the difference that the k(T) was calculated from 600 to 2000 K, in 200 K increments. - -MHS computed the fitted Arrhenius expression to be: k(T) = 1.91e-4 (T/1K)^4.25 exp(-0.81 kcal mol-1 / RT) cm3 mol-1 s-1. -The uncertainty in the E0 was estimated to be 2 kcal mol-1 (general accuracy of CBS-QB3 calculations) and the uncertainty -in the A parameter was MRH guess. - ----------- -References ----------- -.. [MRHCBSQB3RRHO] M.R. Harper (mrharper_at_mit_dot_edu or michael.harper.jr_at_gmail_dot_com) -The geometries of all reactants, products, and the transition state were optimized using the CBS-QB3 calculations. The zero-point -energy is that computed by the CBS-QB3 calculations. The frequencies were computed with B3LYP/CBSB7. -In computing k(T), an asymmetric tunneling correction was employed, the calculated frequencies were scaled by 0.99, and the -temperatures used were: 300, 331, 370, 419, 482, 568, 692, 885, 1227, 2000 (evenly spaced on inverse temperature scale). - -.. [Tsang1990] W. Tsang; "Chemical kinetic database for combustion chemistry. Part IV. Isobutane" J. Phys. Chem. Ref. Data 19 (1990) 1-68 - -.. [Tsang1991] W. Tsang; "Chemical kinetic database for combustion chemistry. Part V. Propene" J. Phys. Chem. Ref. Data 20 (1991) 221-273 diff --git a/output/RMG_database/kinetics_groups/H_Abstraction/dictionary.txt b/output/RMG_database/kinetics_groups/H_Abstraction/dictionary.txt deleted file mode 100755 index 221ee080de..0000000000 --- a/output/RMG_database/kinetics_groups/H_Abstraction/dictionary.txt +++ /dev/null @@ -1,2638 +0,0 @@ -// dictionary for f01: HAbstraction reaction -// original from dictionary.txt, CDW 10/20/2002 -// SR and JS correct errors and add more nodes, Nov., 20, 2002 -// get rid of dots following the ID, add index to the central nodes, JS, Jan., 03, 2003 -// S.R., C.D.W (1/21/03) add biradicals -// JS, remove CO_birad to form a new family later: CO + RH -> HCO + R. Aug, 26, 2003 - - -X_H_or_Xrad_H -Union {X_H, Xrad_H} - -Xrad_H -1 *1 R 1 {2,S} -2 *2 H 0 {1,S} - -X_H -1 *1 R 0 {2,S} -2 *2 H 0 {1,S} - -H2 -1 *1 H 0 {2,S} -2 *2 H 0 {1,S} - -Cs_H -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} -5 R 0 {1,S} - -C_methane -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -C_pri -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {R!H} 0 {1,S} - -C/H3/Cs -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {1,S} - -C/H3/Cs\H3 -1 *1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 *2 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 H 0 {2,S} - -C/H3/Cs\1NonDe -1 *1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 *2 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 {Cs,O,S} 0 {2,S} -7 H 0 {2,S} -8 H 0 {2,S} - -C/H3/Cs\H2\Cs -1 *1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 *2 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cs 0 {2,S} -7 H 0 {2,S} -8 H 0 {2,S} - -C/H3/Cs\H2\Cs|O -1 *1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 *2 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cs 0 {2,S} {9,S} -7 H 0 {2,S} -8 H 0 {2,S} -9 O 0 {6,S} - -C/H3/Cs\H\Cs\Cs|O -1 *1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 *2 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cs 0 {2,S} {9,S} -7 Cs 0 {2,S} -8 H 0 {2,S} -9 O 0 {6,S} - -C/H3/Cs\H2\O -1 *1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 *2 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {2,S} -7 H 0 {2,S} -8 H 0 {2,S} - -C/H3/Cs\2NonDe -1 *1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 *2 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 {Cs,O,S} 0 {2,S} -7 {Cs,O,S} 0 {2,S} -8 H 0 {2,S} - -C/H3/Cs\H\Cs\O -1 *1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 *2 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cs 0 {2,S} -7 O 0 {2,S} -8 H 0 {2,S} - - -C/H3/OneDe -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {1,S} - -C/H3/Cd -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {1,S} {6,D} -6 C 0 {5,D} - -C/H3/Cd\H_Cd\H2 -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 C 0 {5,D} {8,S} {9,S} -7 H 0 {5,S} -8 H 0 {6,S} -9 H 0 {6,S} - -C/H3/Cd\H_Cd\H\Cs -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 C 0 {5,D} {8,S} {9,S} -7 H 0 {5,S} -8 Cs 0 {6,S} -9 H 0 {6,S} - -C/H3/Cd\Cs_Cd\H2 -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 C 0 {5,D} {8,S} {9,S} -7 Cs 0 {5,S} -8 H 0 {6,S} -9 H 0 {6,S} - -C/H3/Cs_H3 -1 *1 C 0 {2,S} {4,S} {5,S} {6,S} -2 C 0 {1,S} {3,D} {7,S} -3 C 0 {2,D} {8,S} {9,S} -4 *2 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {2,S} -8 H 0 {3,S} -9 H 0 {3,S} - -C/H3/Ct -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {1,S} - -C/H3/Cb -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {1,S} - -//Added by AJ (Jan 25, 2011) - -C/H/Cb -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 Cb 0 {1,S} - -C/H2/Cb -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 C 0 {1,S} -5 Cb 0 {1,S} - -// End of additions - -C/H3/CO -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 CO 0 {1,S} - -C/H3/CS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {1,S} {6,D} -6 S 0 {5,D} - -C/H3/O -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 O 0 {1,S} - -C/H3/S -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 S 0 {1,S} - -C_sec -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {1,S} - -C/H2/NonDeC -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -C/H2/Cs\H3/Cs\H3 -1 C 0 {2,S} {4,S} {5,S} {6,S} -2 *1 C 0 {1,S} {3,S} {7,S} {8,S} -3 C 0 {2,S} {9,S} {10,S} {11,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 *2 H 0 {2,S} -8 H 0 {2,S} -9 H 0 {3,S} -10 H 0 {3,S} -11 H 0 {3,S} - -C/H2/Cs/Cs\O -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} {6,S} -6 O 0 {5,S} - -C/H2/Cs/Cs\Cs|O -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 O 0 {6,S} - -C/H2/NonDeC_5ring -1 *1 C 0 {2,S} {3,S} {4,S} {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} {6,S} -5 Cs 0 {1,S} {7,S} -6 Cs 0 {4,S} {7,S} -7 Cs 0 {5,S} {6,S} - -C/H2/NonDeC_5ring_fused6_1 -1 *1 C 0 {2,S} {3,S} {4,S} {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} {6,S} {8,S} -5 Cs 0 {1,S} {7,S} -6 Cs 0 {4,S} {7,S} -7 Cs 0 {5,S} {6,S} {9,S} -8 Cs 0 {4,S} {9,S} -9 Cs 0 {8,S} {7,S} - -C/H2/NonDeC_5ring_fused6_2 -1 *1 C 0 {2,S} {3,S} {4,S} {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} {6,S} {8,S} -5 Cs 0 {1,S} {7,S} {9,S} -6 Cs 0 {4,S} {7,S} -7 Cs 0 {5,S} {6,S} -8 Cs 0 {4,S} {9,S} -9 Cs 0 {8,S} {5,S} - -C/H2/NonDeC_5ring_alpha6ring -1 *1 C 0 {2,S} {3,S} {4,S} {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} {6,S} {8,S} -5 Cs 0 {1,S} {7,S} -6 Cs 0 {4,S} {7,S} {11,S} -7 Cs 0 {5,S} {6,S} -8 C 0 {4,S} {9,S} -9 C 0 {8,S} {10,S} -10 C 0 {9,S} {11,S} -11 C 0 {10,S} {6,S} - -C/H2/NonDeC_5ring_beta6ring -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} {6,S} -5 Cs 0 {1,S} {7,S} -6 Cs 0 {4,S} {7,S} {8,S} -7 Cs 0 {5,S} {6,S} {11,S} -8 C 0 {6,S} {9,S} -9 C 0 {8,S} {10,S} -10 C 0 {9,S} {11,S} -11 C 0 {10,S} {7,S} - -C/H2/NonDeO -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} -5 {Cs,O,S} 0 {1,S} - -C/H2/CsO -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} -5 Cs 0 {1,S} - -C/H2/Cs\Cs2/O -1 C 0 {2,S} {6,S} {7,S} {8,S} -2 C 0 {1,S} {3,S} {5,S} {9,S} -3 *1 C 0 {2,S} {4,S} {10,S} {11,S} -4 O 0 {3,S} {12,S} -5 C 0 {2,S} {13,S} {14,S} {15,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {1,S} -9 H 0 {2,S} -10 *2 H 0 {3,S} -11 H 0 {3,S} -12 H 0 {4,S} -13 H 0 {5,S} -14 H 0 {5,S} -15 H 0 {5,S} - -C/H2/O2 -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} -5 O 0 {1,S} - -C/H2/NonDeS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 S 0 {1,S} -5 {Cs,O,S} 0 {1,S} - -C/H2/CsS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 S 0 {1,S} -5 Cs 0 {1,S} - -C/H2/S2 -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 S 0 {1,S} -5 S 0 {1,S} - -C/H2/OneDe -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 {Cs,O,S} 0 {1,S} - -C/H2/OneDeC -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 Cs 0 {1,S} - -C/H2/CdCs -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 C 0 {1,S} {6,D} -5 Cs 0 {1,S} -6 C 0 {4,D} - -C/H2/CtCs -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {1,S} - -C/H2/CbCs -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 Cb 0 {1,S} -5 Cs 0 {1,S} - -C/H2/Cd\H_Cd\H2/Cs\H3 -1 C 0 {2,S} {5,S} {6,S} {7,S} -2 *1 C 0 {1,S} {3,S} {8,S} {9,S} -3 C 0 {2,S} {4,D} {10,S} -4 C 0 {3,D} {11,S} {12,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 *2 H 0 {2,S} -9 H 0 {2,S} -10 H 0 {3,S} -11 H 0 {4,S} -12 H 0 {4,S} - -C/H2/CO\H/Cs\H3 -1 C 0 {2,S} {5,S} {6,S} {7,S} -2 *1 C 0 {1,S} {3,S} {8,S} {9,S} -3 C 0 {2,S} {4,D} {10,S} -4 O 0 {3,D} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 *2 H 0 {2,S} -9 H 0 {2,S} -10 H 0 {3,S} - - -C/H2/COCs -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 CO 0 {1,S} -5 Cs 0 {1,S} - -C/H2/CSCs -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 C 0 {1,S} {6,D} -5 Cs 0 {1,S} -6 S 0 {4,D} - -C/H2/OneDeO -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 O 0 {1,S} - -C/H2/OneDeS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 S 0 {1,S} - -C/H2/CdS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 C 0 {1,S} {6,D} -5 S 0 {1,S} -6 C 0 {4,D} - -C/H2/CtS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 Ct 0 {1,S} -5 S 0 {1,S} - -C/H2/TwoDe -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 {Cd,Ct,CO,Cb} 0 {1,S} - -C/H2/CdCd -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 C 0 {1,S} {6,D} -5 C 0 {1,S} {7,D} -6 C 0 {4,D} -7 C 0 {5,D} - -C/H2/CdCt -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 C 0 {1,S} {6,D} -5 Ct 0 {1,S} -6 C 0 {4,D} - -C/H2/CdCb -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 C 0 {1,S} {6,D} -5 Cb 0 {1,S} -6 C 0 {4,D} - -C/H2/CdCO -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 C 0 {1,S} {6,D} -5 CO 0 {1,S} -6 C 0 {4,D} - -C/H2/CdCS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 C 0 {1,S} {6,D} -5 C 0 {1,S} {7,D} -6 C 0 {4,D} -7 S 0 {5,D} - -C/H2/CtCt -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 Ct 0 {1,S} -5 Ct 0 {1,S} - -C/H2/CtCb -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 Ct 0 {1,S} -5 Cb 0 {1,S} - -C/H2/CtCO -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 Ct 0 {1,S} -5 CO 0 {1,S} - -C/H2/CtCS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 Ct 0 {1,S} -5 C 0 {1,S} {6,D} -6 S 0 {5,D} - -C/H2/CbCb -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 Cb 0 {1,S} -5 Cb 0 {1,S} - -C/H2/CbCO -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 Cb 0 {1,S} -5 CO 0 {1,S} - -C/H2/CbCS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 Cb 0 {1,S} -5 C 0 {1,S} {6,D} -6 S 0 {5,D} - -C/H2/COCO -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 CO 0 {1,S} -5 CO 0 {1,S} - -C/H2/COCS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 CO 0 {1,S} -5 C 0 {1,S} {6,D} -6 S 0 {5,D} - -C/H2/CSCS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 C 0 {1,S} {6,D} -5 C 0 {1,S} {7,D} -6 S 0 {4,D} -7 S 0 {5,D} - -C_ter -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {1,S} - -C/H/Cs2/Cs\O -1 C 0 {2,S} {6,S} {7,S} {8,S} -2 *1 C 0 {1,S} {3,S} {5,S} {9,S} -3 C 0 {2,S} {4,S} {10,S} {11,S} -4 O 0 {3,S} {12,S} -5 C 0 {2,S} {13,S} {14,S} {15,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {1,S} -9 *2 H 0 {2,S} -10 H 0 {3,S} -11 H 0 {3,S} -12 H 0 {4,S} -13 H 0 {5,S} -14 H 0 {5,S} -15 H 0 {5,S} - -C/H/NonDeC -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 {Cs,O,S} 0 {1,S} - -C/H/Cs3 -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -C/H/Cs2/CsOs -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} {6,S} -6 Os 0 {5,S} - - -C/H/Cs3_5ring -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {6,S} -4 Cs 0 {1,S} {7,S} -5 Cs 0 {1,S} -6 Cs 0 {3,S} {7,S} -7 Cs 0 {6,S} {4,S} - -C/H/Cs3_5ring_adj5 -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {6,S} -4 Cs 0 {1,S} {7,S} {9,S} -5 Cs 0 {1,S} {8,S} -6 Cs 0 {3,S} {7,S} -7 Cs 0 {6,S} {4,S} -8 Cs 0 {9,S} {5,S} -9 Cs 0 {8,S} {4,S} - -C/H/Cs3_5ring_fused6 -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {6,S} -4 Cs 0 {1,S} {7,S} -5 Cs 0 {1,S} {8,S} -6 Cs 0 {3,S} {7,S} -7 Cs 0 {6,S} {4,S} {8,S} -8 Cs 0 {7,S} {5,S} - -C/H/NDMustOS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 O 0 {1,S} -4 S 0 {1,S} -5 {Cs,O,S} 0 {1,S} - -C/H/NDMustO -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/CsOS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 O 0 {1,S} -4 S 0 {1,S} -5 Cs 0 {1,S} - -C/H/Cs2O -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 O 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -C/H/CsO2 -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 O 0 {1,S} -4 O 0 {1,S} -5 Cs 0 {1,S} - -C/H/O3 -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 O 0 {1,S} -4 O 0 {1,S} -5 O 0 {1,S} - -C/H/NDMustS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 S 0 {1,S} -4 {Cs,S} 0 {1,S} -5 {Cs,S} 0 {1,S} - -C/H/Cs2S -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 S 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -C/H/CsS2 -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 S 0 {1,S} -4 S 0 {1,S} -5 Cs 0 {1,S} - -C/H/S3 -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 S 0 {1,S} -4 S 0 {1,S} -5 S 0 {1,S} - -C/H/OneDe -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O,S} 0 {1,S} -5 {Cs,O,S} 0 {1,S} - -C/H/Cs2 -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -C/H/Cs2Cd -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 C 0 {1,S} {6,D} -4 Cs 0 {1,S} -5 Cs 0 {1,S} -6 C 0 {3,D} - -C/H/Cs2Ct -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -C/H/Cs2Cb -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -C/H/Cs2CO -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -C/H/Cs2CS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 C 0 {1,S} {6,D} -4 Cs 0 {1,S} -5 Cs 0 {1,S} -6 S 0 {3,D} - -C/H/CsO -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} -5 Cs 0 {1,S} - -C/H/CsS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 S 0 {1,S} -5 Cs 0 {1,S} - -C/H/CdCsS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 C 0 {1,S} {6,D} -4 S 0 {1,S} -5 Cs 0 {1,S} -6 C 0 {3,D} - -C/H/CtCsS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} -4 S 0 {1,S} -5 Cs 0 {1,S} - -C/H/OO -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} -5 O 0 {1,S} - -C/H/OS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} -5 S 0 {1,S} - -C/H/SS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 S 0 {1,S} -5 S 0 {1,S} - -C/H/TwoDe -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O,S} 0 {1,S} - -C/H/Cs -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Cs 0 {1,S} - -C/H/CdCd -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 C 0 {1,S} {6,D} -4 C 0 {1,S} {7,D} -5 Cs 0 {1,S} -6 C 0 {3,D} -7 C 0 {4,D} - - -C/H/CdCt -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 C 0 {1,S} {6,D} -4 Ct 0 {1,S} -5 Cs 0 {1,S} -6 C 0 {3,D} - -C/H/CdCb -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 C 0 {1,S} {6,D} -4 Cb 0 {1,S} -5 Cs 0 {1,S} -6 C 0 {3,D} - -C/H/CdCO -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 C 0 {1,S} {6,D} -4 CO 0 {1,S} -5 Cs 0 {1,S} -6 C 0 {3,D} - -C/H/CdCS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 C 0 {1,S} {6,D} -4 C 0 {1,S} {7,D} -5 Cs 0 {1,S} -6 C 0 {3,D} -7 S 0 {4,D} - -C/H/CtCt -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {1,S} - -C/H/CtCb -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} -4 Cb 0 {1,S} -5 Cs 0 {1,S} - -C/H/CtCO -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} -4 CO 0 {1,S} -5 Cs 0 {1,S} - -C/H/CtCS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} -4 C 0 {1,S} {6,D} -5 Cs 0 {1,S} -6 S 0 {4,D} - -C/H/CbCb -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cb 0 {1,S} -4 Cb 0 {1,S} -5 Cs 0 {1,S} - -C/H/CbCO -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cb 0 {1,S} -4 CO 0 {1,S} -5 Cs 0 {1,S} - -C/H/CbCS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cb 0 {1,S} -4 C 0 {1,S} {6,D} -5 Cs 0 {1,S} -6 S 0 {4,D} - -C/H/COCO -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 CO 0 {1,S} -4 CO 0 {1,S} -5 Cs 0 {1,S} - -C/H/COCS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 CO 0 {1,S} -4 C 0 {1,S} {6,D} -5 Cs 0 {1,S} -6 S 0 {4,D} - -C/H/CSCS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 C 0 {1,S} {6,D} -4 C 0 {1,S} {7,D} -5 Cs 0 {1,S} -6 S 0 {3,D} -7 S 0 {4,D} - -C/H/TDMustO -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 O 0 {1,S} - -C/H/TDMustS -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 S 0 {1,S} - -C/H/ThreeDe -1 *1 C 0 {2,S} {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_H -1 *1 C 0 {2,D} {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 R 0 {1,S} - -Cd_pri -1 *1 C 0 {2,D} {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 H 0 {1,S} - -Cd_sec -1 *1 C 0 {2,D} {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 {R!H} 0 {1,S} - -Cd/H/NonDeC -1 *1 C 0 {2,D} {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 Cs 0 {1,S} - -Cd/H/NonDeO -1 *1 C 0 {2,D} {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 O 0 {1,S} - -Cd/H/NonDeS -1 *1 C 0 {2,D} {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 S 0 {1,S} - -Cd/H/OneDe -1 *1 C 0 {2,D} {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd/H/Cd -1 *1 C 0 {2,D} {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 C 0 {1,S} {5,D} -5 C 0 {4,D} - -Cd/H/Ct -1 *1 C 0 {2,D} {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 Ct 0 {1,S} - -Cd/H/Cb -1 *1 C 0 {2,D} {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 Cb 0 {1,S} - -Cd/H/CO -1 *1 C 0 {2,D} {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 CO 0 {1,S} - -Cd/H/CS -1 *1 C 0 {2,D} {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 C 0 {1,S} {5,D} -5 S 0 {4,D} - -Ct_H -1 *1 C 0 {2,T} {3,S} -2 C 0 {1,T} -3 *2 H 0 {1,S} - -Cb_H -1 *1 Cb 0 {2,B} {3,B}, {4,S} -2 {Cb,Cbf} 0 {1,B} -3 {Cb,Cbf} 0 {1,B} -4 *2 H 0 {1,S} - -CO_H -1 *1 C 0 {2,D} {3,S}, {4,S} -2 O 0 {1,D} -3 *2 H 0 {1,S} -4 R 0 {1,S} - -CO_pri -1 *1 C 0 {2,D} {3,S}, {4,S} -2 O 0 {1,D} -3 *2 H 0 {1,S} -4 H 0 {1,S} - -CO_sec -1 *1 C 0 {2,D} {3,S}, {4,S} -2 O 0 {1,D} -3 *2 H 0 {1,S} -4 {R!H} 0 {1,S} - -CO/H/NonDe -1 *1 C 0 {2,D} {3,S}, {4,S} -2 O 0 {1,D} -3 *2 H 0 {1,S} -4 {Cs,O,S} 0 {1,S} - -CO/H/Cs -1 *1 C 0 {2,D} {3,S}, {4,S} -2 O 0 {1,D} -3 *2 H 0 {1,S} -4 Cs 0 {1,S} - -CO/H/Cs\Cs|Cs -1 *1 C 0 {2,D} {3,S}, {4,S} -2 O 0 {1,D} -3 *2 H 0 {1,S} -4 Cs 0 {1,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} - -CO/H/OneDe -1 *1 C 0 {2,D} {3,S}, {4,S} -2 O 0 {1,D} -3 *2 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CS_H -1 *1 C 0 {2,D} {3,S}, {4,S} -2 S 0 {1,D} -3 *2 H 0 {1,S} -4 R 0 {1,S} - -CS_pri -1 *1 C 0 {2,D} {3,S}, {4,S} -2 S 0 {1,D} -3 *2 H 0 {1,S} -4 H 0 {1,S} - -CS_sec -1 *1 C 0 {2,D} {3,S}, {4,S} -2 S 0 {1,D} -3 *2 H 0 {1,S} -4 {R!H} 0 {1,S} - -CS/H/NonDeC -1 *1 C 0 {2,D} {3,S}, {4,S} -2 S 0 {1,D} -3 *2 H 0 {1,S} -4 Cs 0 {1,S} - -CS/H/NonDeO -1 *1 C 0 {2,D} {3,S}, {4,S} -2 S 0 {1,D} -3 *2 H 0 {1,S} -4 O 0 {1,S} - -CS/H/NonDeS -1 *1 C 0 {2,D} {3,S}, {4,S} -2 S 0 {1,D} -3 *2 H 0 {1,S} -4 S 0 {1,S} - -CS/H/OneDe -1 *1 C 0 {2,D} {3,S}, {4,S} -2 S 0 {1,D} -3 *2 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CS/H/Cd -1 *1 C 0 {2,D} {3,S}, {4,S} -2 S 0 {1,D} -3 *2 H 0 {1,S} -4 C 0 {1,S} {5,D} -5 C 0 {4,D} - -CS/H/Ct -1 *1 C 0 {2,D} {3,S}, {4,S} -2 S 0 {1,D} -3 *2 H 0 {1,S} -4 Ct 0 {1,S} - -CS/H/Cb -1 *1 C 0 {2,D} {3,S}, {4,S} -2 S 0 {1,D} -3 *2 H 0 {1,S} -4 Cb 0 {1,S} - -CS/H/CO -1 *1 C 0 {2,D} {3,S}, {4,S} -2 S 0 {1,D} -3 *2 H 0 {1,S} -4 CO 0 {1,S} - -CS/H/CS -1 *1 C 0 {2,D} {3,S}, {4,S} -2 S 0 {1,D} -3 *2 H 0 {1,S} -4 C 0 {1,S} {5,D} -5 S 0 {4,D} - -O_H -1 *1 O 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 R 0 {1,S} - -O_pri -1 *1 O 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} - -O_sec -1 *1 O 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 {R!H} 0 {1,S} - -O/H/NonDeC -1 *1 O 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} - -O/H/NonDeO -1 *1 O 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 O 0 {1,S} - -H2O2 -1 *1 O 0 {2,S} {3,S} -2 O 0 {1,S} {4,S} -3 *2 H 0 {1,S} -4 H 0 {2,S} - -O/H/OneDe -1 *1 O 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Orad_O_H -1 *1 O 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 O 1 {1,S} - -S_H -1 *1 S 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 R 0 {1,S} - -S_pri -1 *1 S 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} - -S_sec -1 *1 S 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 {R!H} 0 {1,S} - -S/H/NonDeC -1 *1 S 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} - -S/H/NonDeS -1 *1 S 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 S 0 {1,S} - -S/H/OneDe -1 *1 S 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -S/H/Cd -1 *1 S 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 C 0 {1,S} {4,D} -4 C 0 {3,D} - -S/H/Ct -1 *1 S 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} - -S/H/Cb -1 *1 S 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cb 0 {1,S} - -S/H/CO -1 *1 S 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 CO 0 {1,S} - -S/H/CS -1 *1 S 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 C 0 {1,S} {4,D} -4 S 0 {3,D} - -Srad_H -1 *1 S 1 {2,S} -2 *2 H 0 {1,S} - - - -Y_rad_birad -Union {Y_2centeradjbirad, Y_1centerbirad, Y_rad} - -Y_2centeradjbirad -1 *3 {Ct,Os,Ss} 1 {2,{S,T}} -2 {Ct,Os,Ss} 1 {1,{S,T}} - -O2b -1 *3 O 1 {2,S} -2 O 1 {1,S} - -C2b -1 *3 C 1 {2,T} -2 C 1 {1,T} - -Y_1centerbirad -1 *3 {Cs,Cd,O,S} 2T - -//CO_birad -//1 *3 C 2T {2,D} -//2 O 0 {1,D} - -O_atom_triplet -1 *3 O 2T - -CH2_triplet -1 *3 C 2T {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -Y_rad -1 *3 R 1 - -H_rad -1 *3 H 1 - -Cs_rad -1 *3 C 1 {2,S} {3,S}, {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -C_methyl -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C_pri_rad -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H2/Cs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H2/Cs\H3 -1 *3 C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} - -C_rad/H2/Cs\Cs2\O -1 *3 C 1 {2,S} {6,S} {7,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 C 0 {2,S} -4 O 0 {2,S} -5 C 0 {2,S} -6 H 0 {1,S} -7 H 0 {1,S} - -C_rad/H2/Cs\H\Cs\Cs|O -1 *3 C 1 {2,S} {6,S} {7,S} -2 C 0 {1,S} {3,S} {5,S} {8,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} -5 C 0 {2,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {2,S} - -C_rad/H2/Cs\H\Cs|Cs\O -1 *3 C 1 {2,S} {6,S} {7,S} -2 C 0 {1,S} {3,S} {4,S} {8,S} -3 C 0 {2,S} {5,S} -4 O 0 {2,S} -5 C 0 {3,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {2,S} - -C_rad/H2/Cs\H2\Cs|Cs|O -1 *3 C 1 {2,S} {6,S} {7,S} -2 C 0 {1,S} {3,S} {8,S} {9,S} -3 C 0 {2,S} {4,S} {5,S} -4 C 0 {3,S} -5 O 0 {3,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {2,S} -9 H 0 {2,S} - -C_rad/H2/Cs\H2\Cs|Cs#O -1 *3 C 1 {2,S} {6,S} {7,S} -2 C 0 {1,S} {3,S} {8,S} {9,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {2,S} -9 H 0 {2,S} - -C_rad/H2/Cd -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 C 0 {1,S} {5,D} -5 C 0 {4,D} - -C_rad/H2/Cd\H_Cd\H2 -1 *3 C 1 {2,S} {4,S} {5,S} -2 C 0 {1,S} {3,D} {6,S} -3 C 0 {2,D} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} - -C_rad/H2/Cd\Cs_Cd\H2 -1 C 0 {2,D} {5,S} {6,S} -2 C 0 {1,D} {3,S} {4,S} -3 *3 C 1 {2,S} {7,S} {8,S} -4 C 0 {2,S} {9,S} {10,S} {11,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {4,S} -10 H 0 {4,S} -11 H 0 {4,S} - -C_rad/H2/Ct -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Ct 0 {1,S} - -C_rad/H2/Cb -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cb 0 {1,S} - -C_rad/H2/CO -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 CO 0 {1,S} - -C_rad/H2/O -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} - -C_rad/H2/S -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 S 0 {1,S} - -C_sec_rad -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H/NonDeC -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/Cs\H3/Cs\H3 -1 C 0 {2,S} {4,S} {5,S} {6,S} -2 *3 C 1 {1,S} {3,S} {7,S} -3 C 0 {2,S} {8,S} {9,S} {10,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {2,S} -8 H 0 {3,S} -9 H 0 {3,S} -10 H 0 {3,S} - -C_rad/H/Cs\H2\Cs/Cs\H2\O -1 C 0 {2,S} {6,S} {7,S} {8,S} -2 C 0 {1,S} {3,S} {9,S} {10,S} -3 *3 C 1 {2,S} {4,S} {11,S} -4 C 0 {3,S} {5,S} {12,S} {13,S} -5 O 0 {4,S} {14,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {1,S} -9 H 0 {2,S} -10 H 0 {2,S} -11 H 0 {3,S} -12 H 0 {4,S} -13 H 0 {4,S} -14 H 0 {5,S} - -C_rad/H/Cs\H\Cs\O/Cs -1 C 0 {3,S} {6,S} {7,S} {8,S} -2 C 0 {4,S} {9,S} {10,S} {11,S} -3 *3 C 1 {1,S} {4,S} {12,S} -4 C 0 {2,S} {3,S} {5,S} {13,S} -5 O 0 {4,S} {14,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {1,S} -9 H 0 {2,S} -10 H 0 {2,S} -11 H 0 {2,S} -12 H 0 {3,S} -13 H 0 {4,S} -14 H 0 {5,S} - -C_rad/H/Cs\H2\Cs|O/Cs -1 C 0 {2,S} {6,S} {7,S} {8,S} -2 *3 C 1 {1,S} {3,S} {9,S} -3 C 0 {2,S} {4,S} {10,S} {11,S} -4 C 0 {3,S} {5,S} {12,S} {13,S} -5 O 0 {4,S} {14,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {1,S} -9 H 0 {2,S} -10 H 0 {3,S} -11 H 0 {3,S} -12 H 0 {4,S} -13 H 0 {4,S} -14 H 0 {5,S} - -C_rad/H/NonDeC_5ring_fused6_1 -1 *3 C 1 {2,S} {3,S} {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} {5,S} {7,S} -4 Cs 0 {1,S} {6,S} -5 Cs 0 {3,S} {6,S} -6 Cs 0 {4,S} {5,S} {8,S} -7 Cs 0 {3,S} {8,S} -8 Cs 0 {7,S} {6,S} - -C_rad/H/NonDeC_5ring_fused6_2 -1 *3 C 1 {2,S} {3,S} {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} {5,S} {7,S} -4 Cs 0 {1,S} {6,S} {8,S} -5 Cs 0 {3,S} {6,S} -6 Cs 0 {4,S} {5,S} -7 Cs 0 {3,S} {8,S} -8 Cs 0 {7,S} {4,S} - -C_rad/H/NonDeC_5ring_alpha6ring -1 *3 C 1 {2,S} {3,S} {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} {5,S} {7,S} -4 Cs 0 {1,S} {6,S} -5 Cs 0 {3,S} {6,S} {10,S} -6 Cs 0 {4,S} {5,S} -7 C 0 {3,S} {8,S} -8 C 0 {7,S} {9,S} -9 C 0 {8,S} {10,S} -10 C 0 {9,S} {5,S} - -C_rad/H/NonDeC_5ring_beta6ring -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} {5,S} -4 Cs 0 {1,S} {6,S} -5 Cs 0 {3,S} {6,S} {7,S} -6 Cs 0 {4,S} {5,S} {10,S} -7 C 0 {5,S} {8,S} -8 C 0 {7,S} {9,S} -9 C 0 {8,S} {10,S} -10 C 0 {9,S} {6,S} - -C_rad/H/NonDeO -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/H/CsO -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 O 0 {1,S} - -C_rad/H/Cs\H2\Cs/O -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 O 0 {1,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 Cs 0 {3,S} - -C_rad/H/Cs\H2\Cs|H2|Cs/O -1 C 0 {2,S} {6,S} {7,S} {8,S} -2 C 0 {1,S} {3,S} {9,S} {10,S} -3 C 0 {2,S} {4,S} {11,S} {12,S} -4 *3 C 1 {3,S} {5,S} {13,S} -5 O 0 {4,S} {14,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {1,S} -9 H 0 {2,S} -10 H 0 {2,S} -11 H 0 {3,S} -12 H 0 {3,S} -13 H 0 {4,S} -14 H 0 {5,S} - -C_rad/H/Cs\H\Cs2/O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} {6,S} -3 *3 C 1 {2,S} {4,S} {7,S} -4 O 0 {3,S} {8,S} -5 C 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {4,S} - -C_rad/H/O2 -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 O 0 {1,S} -4 O 0 {1,S} - -C_rad/H/NonDeS -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 S 0 {1,S} -4 {Cs,S} 0 {1,S} - -C_rad/H/CsS -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 S 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/S2 -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 S 0 {1,S} -4 S 0 {1,S} - -C_rad/H/OneDe -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O,S} 0 {1,S} - -C_rad/H/OneDeC -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/CdCs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 C 0 {1,S} {5,D} -4 Cs 0 {1,S} -5 C 0 {3,D} - -C_rad/H/CtCs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/CbCs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/CSCs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 C 0 {1,S} {5,D} -4 Cs 0 {1,S} -5 S 0 {3,D} - -C_rad/H/OneDeO -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} - -C_rad/H/OneDeS -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 S 0 {1,S} - -C_rad/H/CdS -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 C 0 {1,S} {5,D} -4 S 0 {1,S} -5 C 0 {3,D} - -C_rad/H/CtS -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 Ct 0 {1,S} -4 S 0 {1,S} - -C_rad/H/TwoDe -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -C_rad/H/CdCd -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 C 0 {1,S} {5,D} -4 C 0 {1,S} {6,D} -5 C 0 {3,D} -6 C 0 {4,D} - -C_rad/H/CdCt -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 C 0 {1,S} {5,D} -4 Ct 0 {1,S} -5 C 0 {3,D} - -C_rad/H/CO\H/Cs\H3 -1 C 0 {2,S} {5,S} {6,S} {7,S} -2 *3 C 1 {1,S} {3,S} {8,S} -3 C 0 {2,S} {4,D} {9,S} -4 O 0 {3,D} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {2,S} -9 H 0 {3,S} - -C_rad/Cs2/Cs\O -1 Cs 0 {2,S} -2 *3 C 1 {1,S} {3,S} {5,S} -3 Cs 0 {2,S} {4,S} -4 O 0 {3,S} -5 Cs 0 {2,S} - -C_rad/H/CdCb -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 C 0 {1,S} {5,D} -4 Cb 0 {1,S} -5 C 0 {3,D} - -C_rad/H/CdCO -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 C 0 {1,S} {5,D} -4 CO 0 {1,S} -5 C 0 {3,D} - -C_rad/H/CdCS -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 C 0 {1,S} {5,D} -4 C 0 {1,S} {6,D} -5 C 0 {3,D} -6 S 0 {4,D} - -C_rad/H/CtCt -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} - -C_rad/H/CtCb -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 Ct 0 {1,S} -4 Cb 0 {1,S} - -C_rad/H/CtCO -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 Ct 0 {1,S} -4 CO 0 {1,S} - -C_rad/H/CtCS -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 Ct 0 {1,S} -4 C 0 {1,S} {5,D} -5 S 0 {4,D} - -C_rad/H/CbCb -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 Cb 0 {1,S} -4 Cb 0 {1,S} - -C_rad/H/CbCO -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 Cb 0 {1,S} -4 CO 0 {1,S} - -C_rad/H/CbCS -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 Cb 0 {1,S} -4 C 0 {1,S} {5,D} -5 S 0 {4,D} - -C_rad/H/COCO -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 CO 0 {1,S} -4 CO 0 {1,S} - -C_rad/H/COCS -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 CO 0 {1,S} -4 C 0 {1,S} {5,D} -5 S 0 {4,D} - -C_rad/H/CSCS -1 *3 C 1 {2,S} {3,S}, {4,S} -2 H 0 {1,S} -3 C 0 {1,S} {5,D} -4 C 0 {1,S} {6,D} -5 S 0 {3,D} -6 S 0 {4,D} - -C_ter_rad -1 *3 C 1 {2,S} {3,S}, {4,S} -2 {R!H} 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/NonDe -1 *3 C 1 {2,S} {3,S}, {4,S} -2 {Cs,O,S} 0 {1,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} - -C_rad/Cs3 -1 *3 C 1 {2,S} {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/Cs3_5ring_adj5 -1 *3 C 1 {2,S} {3,S}, {4,S} -2 Cs 0 {1,S} {5,S} -3 Cs 0 {1,S} {6,S} {8,S} -4 Cs 0 {1,S} {7,S} -5 Cs 0 {2,S} {6,S} -6 Cs 0 {5,S} {3,S} -7 Cs 0 {8,S} {4,S} -8 Cs 0 {7,S} {3,S} - -C_rad/Cs3_5ring_fused6 -1 *3 C 1 {2,S} {3,S}, {4,S} -2 Cs 0 {1,S} {5,S} -3 Cs 0 {1,S} {6,S} -4 Cs 0 {1,S} {7,S} -5 Cs 0 {2,S} {6,S} -6 Cs 0 {5,S} {3,S} {7,S} -7 Cs 0 {6,S} {4,S} - -C_rad/NDMustO -1 *3 C 1 {2,S} {3,S}, {4,S} -2 O 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/Cs2O -1 *3 C 1 {2,S} {3,S}, {4,S} -2 O 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/O/Cs/Cs\Cs -1 C 0 {3,S} {6,S} {7,S} {8,S} -2 C 0 {4,S} {9,S} {10,S} {11,S} -3 C 0 {1,S} {4,S} {12,S} {13,S} -4 *3 C 1 {2,S} {3,S} {5,S} -5 O 0 {4,S} {14,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {1,S} -9 H 0 {2,S} -10 H 0 {2,S} -11 H 0 {2,S} -12 H 0 {3,S} -13 H 0 {3,S} -14 H 0 {5,S} - -C_rad/CsO2 -1 *3 C 1 {2,S} {3,S}, {4,S} -2 O 0 {1,S} -3 O 0 {1,S} -4 Cs 0 {1,S} - -C_rad/O3 -1 *3 C 1 {2,S} {3,S}, {4,S} -2 O 0 {1,S} -3 O 0 {1,S} -4 O 0 {1,S} - -C_rad/NDMustS -1 *3 C 1 {2,S} {3,S}, {4,S} -2 S 0 {1,S} -3 {Cs,S} 0 {1,S} -4 {Cs,S} 0 {1,S} - -C_rad/Cs2S -1 *3 C 1 {2,S} {3,S}, {4,S} -2 S 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/CsS2 -1 *3 C 1 {2,S} {3,S}, {4,S} -2 S 0 {1,S} -3 S 0 {1,S} -4 Cs 0 {1,S} - -C_rad/S3 -1 *3 C 1 {2,S} {3,S}, {4,S} -2 S 0 {1,S} -3 S 0 {1,S} -4 S 0 {1,S} - -C_rad/OneDe -1 *3 C 1 {2,S} {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} - -C_rad/Cs2 -1 *3 C 1 {2,S} {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/CdCs2 -1 *3 C 1 {2,S} {3,S}, {4,S} -2 C 0 {1,S} {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -C_rad/CtCs2 -1 *3 C 1 {2,S} {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/CbCs2 -1 *3 C 1 {2,S} {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/COCs2 -1 *3 C 1 {2,S} {3,S}, {4,S} -2 CO 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/CSCs2 -1 *3 C 1 {2,S} {3,S}, {4,S} -2 C 0 {1,S} {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 S 0 {2,D} - -C_rad/CsO -1 *3 C 1 {2,S} {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 O 0 {1,S} -4 Cs 0 {1,S} - -C_rad/CsS -1 *3 C 1 {2,S} {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 S 0 {1,S} -4 Cs 0 {1,S} - -C_rad/CdCsS -1 *3 C 1 {2,S} {3,S}, {4,S} -2 C 0 {1,S} {5,D} -3 S 0 {1,S} -4 Cs 0 {1,S} -5 S 0 {2,D} - -C_rad/CtCsS -1 *3 C 1 {2,S} {3,S}, {4,S} -2 Ct 0 {1,S} -3 S 0 {1,S} -4 Cs 0 {1,S} - -C_rad/O2 -1 *3 C 1 {2,S} {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 O 0 {1,S} -4 O 0 {1,S} - -C_rad/OS -1 *3 C 1 {2,S} {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 S 0 {1,S} -4 O 0 {1,S} - -C_rad/S2 -1 *3 C 1 {2,S} {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 S 0 {1,S} -4 S 0 {1,S} - -C_rad/TwoDe -1 *3 C 1 {2,S} {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O,S} 0 {1,S} - -C_rad/Cs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -C_rad/CdCdCs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 C 0 {1,S} {5,D} -3 C 0 {1,S} {6,D} -4 Cs 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -C_rad/CdCtCs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 C 0 {1,S} {5,D} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -C_rad/CdCbCs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 C 0 {1,S} {5,D} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -C_rad/CdCOCs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 C 0 {1,S} {5,D} -3 CO 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -C_rad/CdCSCs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 C 0 {1,S} {5,D} -3 C 0 {1,S} {6,D} -4 Cs 0 {1,S} -5 C 0 {2,D} -6 S 0 {3,D} - -C_rad/CtCtCs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} - -C_rad/CtCbCs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -C_rad/CtCOCs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 Ct 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -C_rad/CtCSCs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 Ct 0 {1,S} -3 C 0 {1,S} {5,D} -4 Cs 0 {1,S} -5 S 0 {3,D} - -C_rad/CbCbCs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -C_rad/CbCOCs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 Cb 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -C_rad/CbCSCs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 Cb 0 {1,S} -3 C 0 {1,S} {5,D} -4 Cs 0 {1,S} -5 S 0 {3,D} - -C_rad/COCOCs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 CO 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -C_rad/COCSCs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 CO 0 {1,S} -3 C 0 {1,S} {5,D} -4 Cs 0 {1,S} -5 S 0 {3,D} - -C_rad/CSCSCs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 C 0 {1,S} {5,D} -3 C 0 {1,S} {6,D} -4 Cs 0 {1,S} -5 S 0 {2,D} -6 S 0 {3,D} - -C_rad/TDMustO -1 *3 C 1 {2,S} {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} - -C_rad/TDMustS -1 *3 C 1 {2,S} {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 S 0 {1,S} - -C_rad/ThreeDe -1 *3 C 1 {2,S} {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_rad -1 *3 C 1 {2,D} {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -Cd_pri_rad -1 *3 C 1 {2,D} {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -Cd_Cd\H2_pri_rad -1 *3 C 1 {2,D} {3,S} -2 C 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} - -Cd_Cd\H\Cs_pri_rad -1 *3 C 1 {2,D} {3,S} -2 C 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 Cs 0 {2,S} -5 H 0 {2,S} - -Cd_Cd\H\Cs|H2|Cs_pri_rad -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} {6,S} -3 C 0 {2,S} {4,D} {7,S} -4 *3 C 1 {3,D} {8,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {4,S} - -Cd_Cd\Cs2_pri_rad -1 *3 C 1 {2,D} {3,S} -2 C 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} - -Cd_sec_rad -1 *3 C 1 {2,D} {3,S} -2 C 0 {1,D} -3 {R!H} 0 {1,S} - -Cd_rad/NonDeC -1 *3 C 1 {2,D} {3,S} -2 C 0 {1,D} -3 Cs 0 {1,S} - -Cd_Cd\H2_rad/Cs -1 C 0 {2,D} {4,S} {5,S} -2 *3 C 1 {1,D} {3,S} -3 Cs 0 {2,S} -4 H 0 {1,S} -5 H 0 {1,S} - -Cd_Cd\H\Cs_rad/Cs -1 C 0 {2,S} {5,S} {6,S} {7,S} -2 *3 C 1 {1,S} {3,D} -3 C 0 {2,D} {4,S} {8,S} -4 Cs 0 {3,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {3,S} - -Cd_rad/NonDeO -1 *3 C 1 {2,D} {3,S} -2 C 0 {1,D} -3 O 0 {1,S} - -O_rad/Cs\H2\Cs|H|Cs2 -1 C 0 {2,S} {6,S} {7,S} {8,S} -2 C 0 {1,S} {3,S} {5,S} {9,S} -3 C 0 {2,S} {4,S} {10,S} {11,S} -4 *3 O 1 {3,S} -5 C 0 {2,S} {12,S} {13,S} {14,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {1,S} -9 H 0 {2,S} -10 H 0 {3,S} -11 H 0 {3,S} -12 H 0 {5,S} -13 H 0 {5,S} -14 H 0 {5,S} - -Cd_rad/NonDeS -1 *3 C 1 {2,D} {3,S} -2 C 0 {1,D} -3 S 0 {1,S} - -Cd_rad/OneDe -1 *3 C 1 {2,D} {3,S} -2 C 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_rad/Cd -1 *3 C 1 {2,D} {3,S} -2 C 0 {1,D} -3 C 0 {1,S} {4,D} -4 C 0 {3,D} - -Cd_rad/Ct -1 *3 C 1 {2,D} {3,S} -2 C 0 {1,D} -3 Ct 0 {1,S} - -Cd_rad/Cb -1 *3 C 1 {2,D} {3,S} -2 C 0 {1,D} -3 Cb 0 {1,S} - -Cd_rad/CO -1 *3 C 1 {2,D} {3,S} -2 C 0 {1,D} -3 CO 0 {1,S} - -Cd_rad/CS -1 *3 C 1 {2,D} {3,S} -2 C 0 {1,D} -3 C 0 {1,S} {4,D} -4 S 0 {3,D} - -Ct_rad -1 *3 C 1 {2,T} -2 C 0 {1,T} - -Cb_rad -1 *3 Cb 1 {2,B} {3,B} -2 {Cb,Cbf} 0 {1,B} -3 {Cb,Cbf} 0 {1,B} - -CO_rad -1 *3 C 1 {2,D} {3,S} -2 O 0 {1,D} -3 R 0 {1,S} - -CO_pri_rad -1 *3 C 1 {2,D} {3,S} -2 O 0 {1,D} -3 H 0 {1,S} - -CO_sec_rad -1 *3 C 1 {2,D} {3,S} -2 O 0 {1,D} -3 {R!H} 0 {1,S} - -CO_rad/NonDe -1 *3 C 1 {2,D} {3,S} -2 O 0 {1,D} -3 {Cs,O,S} 0 {1,S} - -CO_rad/OneDe -1 *3 C 1 {2,D} {3,S} -2 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -CS_rad -1 *3 C 1 {2,D} {3,S} -2 S 0 {1,D} -3 R 0 {1,S} - -CS_pri_rad -1 *3 C 1 {2,D} {3,S} -2 S 0 {1,D} -3 H 0 {1,S} - -CS_sec_rad -1 *3 C 1 {2,D} {3,S} -2 S 0 {1,D} -3 {R!H} 0 {1,S} - -CS_rad/NonDe -1 *3 C 1 {2,D} {3,S} -2 S 0 {1,D} -3 {Cs,O,S} 0 {1,S} - -CS_rad/Cs -1 *3 C 1 {2,D} {3,S} -2 S 0 {1,D} -3 Cs 0 {1,S} - -CS_rad/O -1 *3 C 1 {2,D} {3,S} -2 S 0 {1,D} -3 O 0 {1,S} - -CS_rad/S -1 *3 C 1 {2,D} {3,S} -2 S 0 {1,D} -3 S 0 {1,S} - -CS_rad/OneDe -1 *3 C 1 {2,D} {3,S} -2 S 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -CS_rad/Cd -1 *3 C 1 {2,D} {3,S} -2 S 0 {1,D} -3 C 0 {1,S} {4,D} -4 C 0 {3,D} - -CS_rad/Ct -1 *3 C 1 {2,D} {3,S} -2 S 0 {1,D} -3 Ct 0 {1,S} - -CS_rad/Cb -1 *3 C 1 {2,D} {3,S} -2 S 0 {1,D} -3 Cb 0 {1,S} - -CS_rad/CO -1 *3 C 1 {2,D} {3,S} -2 S 0 {1,D} -3 CO 0 {1,S} - -CS_rad/CS -1 *3 C 1 {2,D} {3,S} -2 S 0 {1,D} -3 C 0 {1,S} {4,D} -4 S 0 {3,D} - -O_rad -1 *3 O 1 {2,S} -2 R 0 {1,S} - -O_pri_rad -1 *3 O 1 {2,S} -2 H 0 {1,S} - -O_sec_rad -1 *3 O 1 {2,S} -2 {R!H} 0 {1,S} - -O_rad/NonDeC -1 *3 O 1 {2,S} -2 Cs 0 {1,S} - -O_rad/NonDeO -1 *3 O 1 {2,S} -2 O 0 {1,S} - -O_rad/OneDe -1 *3 O 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -O_rad/Cd -1 *3 O 1 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} - -O_rad/Cd\H_Cd\H2 -1 *3 O 1 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 C 0 {2,D} {5,S} {6,S} -4 H 0 {2,S} -5 H 0 {3,S} -6 H 0 {3,S} - -O_rad/Cd\H_Cd\H\Cs -1 *3 O 1 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 C 0 {2,D} {5,S} {6,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -O_rad/Cd\H_Cd\H\Cs|Cs -1 *3 O 1 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 C 0 {2,D} {5,S} {6,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -O_rad/Cd\H_Cd\Cs2 -1 *3 O 1 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 C 0 {2,D} {5,S} {6,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -O_rad/Cd\Cs_Cd\H2 -1 *3 O 1 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 C 0 {2,D} {5,S} {6,S} -4 Cs 0 {2,S} -5 H 0 {3,S} -6 H 0 {3,S} - -O_rad/Cd\Cs_Cd\H\Cs -1 *3 O 1 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 C 0 {2,D} {5,S} {6,S} -4 Cs 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -O_rad/Cd\Cs_Cd\Cs2 -1 *3 O 1 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 C 0 {2,D} {5,S} {6,S} -4 Cs 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S_rad -1 *3 S 1 {2,S} -2 R 0 {1,S} - -S_pri_rad -1 *3 S 1 {2,S} -2 H 0 {1,S} - -S_sec_rad -1 *3 S 1 {2,S} -2 {R!H} 0 {1,S} - -S_rad/NonDeC -1 *3 S 1 {2,S} -2 Cs 0 {1,S} - -S_rad/NonDeS -1 *3 S 1 {2,S} -2 S 0 {1,S} - -S_rad/OneDe -1 *3 S 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -S_rad/Cd -1 *3 S 1 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} - -S_rad/Ct -1 *3 S 1 {2,S} -2 Ct 0 {1,S} - -S_rad/Cb -1 *3 S 1 {2,S} -2 Cb 0 {1,S} - -S_rad/CO -1 *3 S 1 {2,S} -2 CO 0 {1,S} - -S_rad/CS -1 *3 S 1 {2,S} -2 C 0 {1,S} {3,D} -3 S 0 {2,D} - -//Added by AJ for ROOJ + RH reactions where R = primary, secondary or tertiary alkyl group -ROOH_pri -1 *1 O 0 {2,S} {7,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 *2 H 0 {1,S} - -ROOH_sec -1 *1 O 0 {2,S} {7,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} -7 *2 H 0 {1,S} - -ROOH_ter -1 *1 O 0 {2,S} {7,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 *2 H 0 {1,S} - -//Added by AJ for abstraction from H-ROOH -C_rad/OOH/Cs/Cs -1 *3 C 1 {2,S} {3,S}, {4,S} -2 O 0 {1,S} {5,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 O 0 {2,S} - -//Added by AJ for abstraction by .C(O)-R -C_rad/(O)/Cs -1 *3 C 1 {2,D} {3,S} -2 O 0 {1,D} -3 Cs 0 {1,S} - -//Added by AJ for abstraction by .CH(R1)-C(O)-R2 -C_rad/H/CO/Cs -1 *3 C 1 {2,S} {3,S} {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 CO 0 {1,S} - -OOC -1 *3 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} diff --git a/output/RMG_database/kinetics_groups/H_Abstraction/rateLibrary.txt b/output/RMG_database/kinetics_groups/H_Abstraction/rateLibrary.txt deleted file mode 100755 index 504167e507..0000000000 --- a/output/RMG_database/kinetics_groups/H_Abstraction/rateLibrary.txt +++ /dev/null @@ -1,1402 +0,0 @@ -// rate library for f01: HAbstraction reactions -// original from rate library.txt, CDW 03/08/01 -// SR and JS rename some nodes according to the tree and dictionary correction, Nov., 20, 2002 -// JS, comment out 10th, change XH in 23 from C/Cd/H3 to C/H3/Cd -// JS, remove CO_birad to form a new family later: CO + RH -> HCO + R. Aug, 26, 2003 -// AG Vandeputte, tried to reorganize the database so that various rate coefficients can be easily found back, Jan 2014 - -// Legend: -// MRH, Michael Harper -// SSM, Shamel Merchant -// MMS, Mary Schnoor -// AJ, Amrit Jalan -// AGV, Aaron Vandeputte - -// JS, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// Catherina Wijaya thesis, pg 151 -154. - -//f01_intermolecular_HA -//No. XH Y_rad Temp. A n a E0 DA Dn Da DE0 Rank Comments - -// Rough estimates - -0. X_H_or_Xrad_H Y_rad_birad 300-1500 1E+05 0 0 10 0 0 0 0 0 Default -1. X_H Y_rad_birad 300-1500 1E+05 0 0 10 0 0 0 0 0 Default -2. X_H H_rad 300-1500 2.4E+08 1.5 0.65 9.4 0 0 0 0 5 Dean, A. M. [118] -3. X_H O_atom_triplet 300-1500 1.7E+08 1.5 0.75 6.6 0 0 0 0 5 Dean, A. M. [118] -4. X_H O_pri_rad 300-1500 1.2E+06 2.0 0.50 10.1 0 0 0 0 5 Dean, A. M. [118] -5. X_H O_sec_rad 300-1500 1.4E+04 2.69 0.60 11.3 0 0 0 0 5 Dean, A. M. [118] -6. X_H C_methyl 300-1500 8.1E+05 1.87 0.65 13.0 0 0 0 0 5 Dean, A. M. [118] -7. X_H O2b 300-2000 5e+10 0.0 1 0.0 0 0 0 0 5 Estimate [W.H. Green] -8. O/H/NonDeC O2b 300-2000 5e+10 0.0 1 0.0 0 0 0 0 5 Estimate [W.H. Green] - - -// Sumathy data - -7. C/H/Cs3 C_rad/Cs3 300-1500 1.30E-01 3.71 0 6.85 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -8. C/H2/NonDeC C_rad/Cs3 300-1500 1.26E+00 3.55 0 8.31 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -9. C/H3/Cs C_rad/Cs3 300-1500 2.85E+00 3.62 0 11.20 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -10. C/H/Cs3 C_rad/H/NonDeC 300-1500 5.58E+01 3.01 0 7.34 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -11. C/H2/NonDeC C_rad/H/NonDeC 300-1500 1.52E+01 3.19 0 10.31 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -12. C/H3/Cs C_rad/H/NonDeC 300-1500 4.71E+01 3.23 0 12.27 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -13. C/H/Cs3 C_rad/H2/Cs 300-1500 4.22E+03 2.51 0 8.06 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -14. C/H2/NonDeC C_rad/H2/Cs 300-1500 1.54E+03 2.66 0 10.10 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -15. C/H3/Cs C_rad/H2/Cs 300-1500 6.59E+02 2.71 0 12.92 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -16. C/H/Cs3 C_methyl 300-1500 5.74E+05 1.83 0 6.94 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -17. C/H2/NonDeC C_methyl 300-1500 1.45E+06 1.77 0 8.53 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -18. C/H3/Cs C_methyl 300-1500 2.78E+05 1.9 0 11.05 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -19. C_methane C_methyl 300-1500 1.01E+04 2.47 0 13.96 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -20. C/H/Cs3 H_rad 300-1500 4.83E+08 1.54 0 2.98 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -21. C/H2/NonDeC H_rad 300-1500 1.30E+08 1.69 0 4.78 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -22. C/H3/Cs H_rad 300-1500 6.28E+07 1.75 0 7.51 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -23. C_methane H_rad 300-1500 3.06E+07 1.87 0 10.59 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -24. O/H/NonDeC H_rad 300-1500 8.70E+08 1.39 0 10.07 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -25. CO_pri H_rad 300-1500 5.48E+07 1.82 0 2.44 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -26. CO/H/NonDe H_rad 300-1500 8.07E+07 1.76 0 0.67 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -27. Cd_pri H_rad 300-1500 2.53E+07 1.98 0 11.78 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. Primary vinylic {Cd/H2} -28. Cd_pri H_rad 300-1500 4.53E+03 2.43 0 8.85 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. Ketene hydrogen {CCO/H2} -29. Cd_pri H_rad 300-1500 1.46E+07 2.09 0 5.49 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. Allene hydrogen {Cd/H2/Ca} -30. Cd/H/NonDeC H_rad 300-1500 2.98E+07 1.95 0 8.65 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -31. C/H3/Cd H_rad 300-1500 4.33E+05 2.38 0 2.80 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -32. C/H2/OneDeC H_rad 300-1500 6.99E+05 2.36 0 1.11 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. Primary allylic hydrogen {C/Cd/C/H2} -33. C/H2/OneDeC H_rad 300-1500 7.79E+07 1.78 0 2.11 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. Primary propergylic {C/Ct/C/H2} -34. C/H/Cs2 H_rad 300-1500 3.02E+06 2.16 0 -0.45 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. Secondary allylic hydrogen {C/Cd/C2/H} -35. C/H/Cs2 H_rad 300-1500 1.21E+08 1.72 0 -0.73 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. Secondary propergylic {C/Ct/C2/H} -36. C/H2/TwoDe H_rad 300-1500 7.09E+03 2.85 0 -1.90 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -37. Cd/H/OneDe H_rad 300-1500 1.93E+08 1.74 0 10.28 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. Dienylic {Cd/Cd/H} -38. Cd/H/OneDe H_rad 300-1500 2.18E+06 2.4 0 6.11 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. Eneynic {Cd/Ct/H} -39. Ct_H H_rad 300-1500 1.65E+08 1.85 0 26.52 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -40. C/H3/Ct H_rad 300-1500 2.70E+07 1.91 0 5.99 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -41. Cd/H/NonDeO H_rad 300-1500 9.67E+09 1.23 0 11.69 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -42. O/H/OneDe H_rad 300-1500 1.30E+11 0.82 0 7.75 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -43. Cd_pri C_methyl 300-1500 3.24E+03 2.58 0 14.04 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -44. C/H3/Cd C_methyl 300-1500 8.04E+01 2.92 0 7.16 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -45. O/H/NonDeC C_methyl 300-1500 2.54E+05 1.89 0 8.97 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -46. CO/H/NonDe C_methyl 300-1500 2.92E+04 2.29 0 5.44 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. -47. O/H/OneDe C_methyl 300-1500 9.07E+04 2.04 0 10.85 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. Olefinic alcohol {O/Cd/H} -48. O/H/OneDe H_rad 300-1500 3.30E+08 1.56 0 13.94 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. Acid O-H {O/CO/H} -49. CO/H/NonDe C_methyl 300-1500 4.53E+03 2.43 0 8.85 0 0 0 0 4 Sumathy CBS-Q calculations. Rate expression per H atom. - -// M Saeys data, are equivalent as the data of M. Sabbe who used hindered rotors in the transition state - -50. C_methane C_methyl 300-1500 6.03E+13 0 0 19.0 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -51. C/H3/Cs C_methyl 300-1500 2.80E+14 0 0 16.1 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -52. C/H3/Cs C_methyl 300-1500 6.15E+13 0 0 15.9 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -53. C/H3/Cs C_methyl 300-1500 7.71E+12 0 0 13.5 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -54. C/H2/NonDeC C_methyl 300-1500 5.02E+13 0 0 13.7 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -55. C/H/Cs3 C_methyl 300-1500 5.02E+13 0 0 11.3 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -56. C/H/Cs3 C_methyl 300-1500 4.42E+13 0 0 11.3 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -57. C/H3/Cd C_methyl 300-1500 2.62E+13 0 0 12.3 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -58. C/H2/OneDeC C_methyl 300-1500 2.73E+13 0 0 10.4 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -59. C/H/Cs2 C_methyl 300-1500 2.73E+13 0 0 8.9 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -60. C/H2/TwoDe C_methyl 300-1500 7.54E+13 0 0 8.1 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -61. C/H/Cs C_methyl 300-1500 9.32E+12 0 0 7.0 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -62. C/H3/Cb C_methyl 300-1500 4.90E+12 0 0 13.1 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -63. C/H2/OneDeC C_methyl 300-1500 1.70E+13 0 0 11.8 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -64. C/H/Cs2 C_methyl 300-1500 1.17E+13 0 0 11.0 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -65. C/H3/Ct C_methyl 300-1500 6.60E+13 0 0 13.1 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -66. C/H2/OneDeC C_methyl 300-1500 2.81E+13 0 0 11.0 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -67. C/H2/TwoDe C_methyl 300-1500 1.38E+14 0 0 8.5 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -68. C/H/Cs C_methyl 300-1500 3.43E+13 0 0 7.1 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -69. C/H/Cs2 C_methyl 300-1500 5.03E+13 0 0 9.1 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -70. Cd_pri C_methyl 300-1500 1.88E+14 0 0 18.6 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -71. Cd/H/NonDeC C_methyl 300-1500 4.43E+13 0 0 16.3 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -72. Cd/H/OneDe C_methyl 300-1500 5.78E+13 0 0 16.2 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -73. Cd/H/OneDe C_methyl 300-1500 2.26E+13 0 0 15.9 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -74. Cd/H/OneDe C_methyl 300-1500 4.37E+13 0 0 13.7 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -75. Ct_H C_methyl 300-1500 3.33E+12 0 0 28.0 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -76. Cb_H C_methyl 300-1500 1.17E+15 0 0 19.9 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -77. C/H2/NonDeC C_methyl 300-1500 9.87E+14 0 0 13.5 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -78. C/H2/NonDeC C_methyl 300-1500 4.51E+12 0 0 12.6 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -79. C/H/Cs3 C_methyl 300-1500 2.46E+13 0 0 11.0 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -80. C/H2/OneDeC C_methyl 300-1500 5.98E+13 0 0 9.6 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -81. C_methane H_rad 300-1500 1.87E+14 0 0 14.2 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -82. C_methane C_methyl 300-1500 6.03E+13 0 0 19.0 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -83. C_methane C_rad/H2/Cd 300-1500 1.53E+14 0 0 30.6 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -84. C_methane Cd_pri_rad 300-1500 1.59E+14 0 0 13.7 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -85. C_methane C_rad/Cs3 300-1500 1.86E+13 0 0 20.2 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -86. C/H/Cs3 H_rad 300-1500 5.31E+13 0 0 5.9 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -87. C/H/Cs3 C_methyl 300-1500 5.02E+13 0 0 11.3 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -88. C/H/Cs3 C_rad/H2/Cd 300-1500 5.02E+13 0 0 20.5 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -89. C/H/Cs3 Cd_pri_rad 300-1500 8.95E+13 0 0 6.2 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -90. C/H/Cs3 C_rad/Cs3 300-1500 5.43E+11 0 0 11.6 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -91. C/H/Cs3 C_rad/H2/Cs 300-1500 3.03E+12 0 0 12.2 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -92. C/H/Cs3 C_rad/H/NonDeC 300-1500 2.44E+12 0 0 12.3 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -93. C/H/Cs3 C_rad/H/OneDeC 300-1500 5.46E+12 0 0 21.7 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -94. C/H/Cs3 C_rad/Cs2 300-1500 1.10E+12 0 0 21.6 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -95. C/H/Cs3 Cd_rad/NonDeC 300-1500 1.02E+11 0 0 5.3 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -96. C/H/Cs3 Cd_rad/OneDe 300-1500 4.16E+12 0 0 13.2 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -97. C/H/Cs3 C_rad/H2/Ct 300-1500 3.14E+13 0 0 17.0 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -98. C/H/Cs3 C_rad/H/OneDeC 300-1500 2.53E+12 0 0 18.0 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -99. C/H/Cs3 C_rad/Cs2 300-1500 9.78E+11 0 0 18.4 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -100. Cd_pri H_rad 300-1500 3.39E+14 0 0 15.3 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -101. Cd_pri C_methyl 300-1500 1.88E+14 0 0 18.6 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -102. Cd_pri C_rad/H2/Cd 300-1500 5.36E+13 0 0 30.7 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -103. Cd_pri Cd_pri_rad 300-1500 1.47E+13 0 0 13.1 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -104. Cd_pri C_rad/Cs3 300-1500 3.93E+13 0 0 20.1 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -105. Cd_pri C_rad/H2/Cs 300-1500 7.82E+12 0 0 19.7 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -106. Cd_pri C_rad/H/NonDeC 300-1500 3.25E+12 0 0 20.2 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -107. Cd_pri C_rad/H/OneDeC 300-1500 1.51E+13 0 0 31.7 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -108. Cd_pri C_rad/Cs2 300-1500 3.39E+12 0 0 38.5 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -109. Cd_pri Cd_rad/NonDeC 300-1500 6.04E+13 0 0 14.0 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -110. Cd_pri Cd_rad/OneDe 300-1500 1.30E+13 0 0 20.6 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -111. Cd_pri C_rad/H2/Ct 300-1500 2.55E+13 0 0 26.8 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -112. Cd_pri C_rad/H/OneDeC 300-1500 4.41E+12 0 0 28.1 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -113. Cd_pri C_rad/Cs2 300-1500 3.59E+12 0 0 35.6 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -114. C/H3/Cd H_rad 300-1500 3.13E+13 0 0 7.3 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -115. C/H3/Cd C_methyl 300-1500 2.62E+13 0 0 12.3 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -116. C/H3/Cd C_rad/H2/Cd 300-1500 5.78E+12 0 0 21.4 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -117. C/H3/Cd Cd_pri_rad 300-1500 7.73E+12 0 0 7.5 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -118. C/H3/Cd C_rad/Cs3 300-1500 3.18E+12 0 0 11.2 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -119. C/H3/Cd C_rad/H2/Cs 300-1500 5.60E+11 0 0 12.4 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -120. C/H3/Cd C_rad/H/NonDeC 300-1500 2.87E+11 0 0 12.3 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -121. C/H3/Cd C_rad/H/OneDeC 300-1500 1.52E+12 0 0 21.4 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -122. C/H3/Cd C_rad/Cs2 300-1500 4.13E+11 0 0 21.1 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -123. C/H3/Cd Cd_rad/NonDeC 300-1500 5.52E+12 0 0 7.5 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -124. C/H3/Cd Cd_rad/OneDe 300-1500 1.95E+12 0 0 14.2 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -125. C/H3/Cd C_rad/H2/Ct 300-1500 7.58E+12 0 0 18.2 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -126. C/H3/Cd C_rad/H/OneDeC 300-1500 5.09E+11 0 0 18.5 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -127. C/H3/Cd C_rad/Cs2 300-1500 3.32E+11 0 0 18.4 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -128. H2 H_rad 300-1500 2.37E+13 0 0 9.4 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -129. H2 C_methyl 300-1500 2.95E+12 0 0 14.1 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -130. H2 C_rad/H2/Cd 300-1500 2.87E+12 0 0 25.6 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -131. H2 Cd_pri_rad 300-1500 4.49E+12 0 0 10.3 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -132. H2 C_rad/Cs3 300-1500 3.08E+11 0 0 14.8 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -133. H2 C_rad/H2/Cs 300-1500 4.57E+11 0 0 14.8 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -134. H2 C_rad/H/NonDeC 300-1500 3.04E+11 0 0 15.1 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -135. H2 C_rad/H/OneDeC 300-1500 1.82E+12 0 0 27.0 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -136. H2 C_rad/Cs2 300-1500 4.30E+11 0 0 27.6 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -137. H2 Cd_rad/NonDeC 300-1500 3.01E+12 0 0 10.6 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -138. H2 Cd_rad/OneDe 300-1500 2.37E+12 0 0 18.2 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -139. H2 C_rad/H2/Ct 300-1500 2.91E+12 0 0 23.0 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -140. H2 C_rad/H/OneDeC 300-1500 5.34E+11 0 0 24.0 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. -141. H2 C_rad/Cs2 300-1500 4.20E+11 0 0 24.7 0 0 0 0 4 Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -// Experimental data from the NIST database - -142. C/H3/Cs O_pri_rad 300-1500 5.93E+06 1.80 0 1.431 0 0 0 0 5 Curran et al. [8] Rate expressions for H atom abstraction from fuels. Fixed by RWest (changed to per H) -//142. C/H3/Cs O_pri_rad 300-1500 2.92E+06 1.80 0 0.278 0 0 0 0 5 Curran et al. [8] Rate expressions for H atom abstraction from fuels. (changed to per H) -143. C/H2/NonDeC O_pri_rad 300-1500 4.50E+05 2.00 0 -1.133 0 0 0 0 5 Curran et al. [8] Rate expressions for H atom abstraction from fuels. (changed to per H) -144. C/H/Cs3 O_pri_rad 300-1500 1.70E+06 1.90 0 -1.451 0 0 0 0 5 Curran et al. [8] Rate expressions for H atom abstraction from fuels. -145. C/H3/Cs O_atom_triplet 300-1500 9.50E+02 3.05 0 3.123 0 0 0 0 5 Curran et al. [8] Rate expressions for H atom abstraction from fuels. (changed to per H) -146. C/H2/NonDeC O_atom_triplet 300-1500 2.39E+04 2.71 0 2.106 0 0 0 0 5 Curran et al. [8] Rate expressions for H atom abstraction from fuels. (changed to per H) -147. C/H/Cs3 O_atom_triplet 300-1500 3.83E+05 2.41 0 1.140 0 0 0 0 5 Curran et al. [8] Rate expressions for H atom abstraction from fuels. -148. C/H3/Cs O_rad/NonDeO 300-1500 2.80E+12 0 0 20.435 0 0 0 0 5 Curran et al. [8] Rate expressions for H atom abstraction from fuels. (changed to per H) -149. C/H2/NonDeC O_rad/NonDeO 300-1500 2.80E+12 0 0 17.686 0 0 0 0 5 Curran et al. [8] Rate expressions for H atom abstraction from fuels. (changed to per H) -150. C/H/Cs3 O_rad/NonDeO 300-1500 2.80E+12 0 0 16.013 0 0 0 0 5 Curran et al. [8] Rate expressions for H atom abstraction from fuels. -151. C/H3/Cs O_rad/NonDeC 300-1500 5.27E+10 0 0 7.000 0 0 0 0 5 Curran et al. [8] Rate expressions for H atom abstraction from fuels. (changed to per H) -152. C/H2/NonDeC O_rad/NonDeC 300-1500 5.50E+10 0 0 5.000 0 0 0 0 5 Curran et al. [8] Rate expressions for H atom abstraction from fuels. (changed to per H) -153. C/H/Cs3 O_rad/NonDeC 300-1500 1.90E+10 0 0 2.800 0 0 0 0 5 Curran et al. [8] Rate expressions for H atom abstraction from fuels. -154. C/H3/Cs O2b 300-1500 7.00E+12 0 0 50.76 0 0 0 0 5 Curran et al. [8] Rate expressions for H atom abstraction from fuels. (changed to per H) -155. C/H2/NonDeC O2b 300-1500 7.00E+12 0 0 48.21 0 0 0 0 5 Curran et al. [8] Rate expressions for H atom abstraction from fuels. (changed to per H) -156. C/H/Cs3 O2b 300-1500 7.00E+12 0 0 46.06 0 0 0 0 5 Curran et al. [8] Rate expressions for H atom abstraction from fuels. -157. H2 O2b 300-800 7.25E+13 0 0 56.64 *5.0 0 0 0 4 Tsang et al. [89] literature review. -158. H2 Cd_pri_rad 200-3000 4.73E+03 2.56 0 5.03 0 0 0 0 3 Knyazev et al. [119] Transition state theory. -159. H2 Cd_pri_rad 300-3500 1.11E+04 2.48 0 7.13 0 0 0 0 3 Mebel et al. [120] Transition state theory. -160. H2 Cd_pri_rad 300-1500 1.58E+09 0.70 0 5.11 0 0 0 0 3 Weissman et al. [121] Transition state theory. -161. H2 Ct_rad 300-2500 5.4E+12 0 0 2.17 *3.16 0 0 0 4 Baulch et al. [94] literature review. -162. H2 Cb_rad 300-5000 2.86E+04 2.43 0 6.28 0 0 0 0 3 Mebel et al. [122] Transition state theory. -163. H2 CO_pri_rad 300-2500 9.0E+05 2.00 0 17.83 *5 0 0 0 4 Tsang et al. [89] literature review. -164. H2 CO_rad/NonDe 300-2500 2.06E+06 1.82 0 17.61 *3.0 0 0 0 4 Tsang et al. [89] literature review. -165. H2 O_pri_rad 200-2400 9.10E+08 1.21 0 4.71 0 0 0 0 3 Isaacson [123] Transition state theory. -166. H2 O_rad/NonDeC 300-2000 6.32E-02 4.00 0 4.91 0 0 0 0 2 Jodkowski et al. [100] ab initio calculations. -167. C_methane O2b 500-2000 9.925E+12 0 0 56.83 *10.0 0 0 0 4 Baulch et al. [95] literature review. -168. C_methane C_rad/H2/Cs 300-2500 2.16E-02 4.14 0 12.56 *2.0 0 0 0 4 Tsang et al. [89] literature review. -169. C_methane C_rad/H/NonDeC 300-2500 1.81E-04 4.40 0 10.79 *2.0 0 0 0 4 Tsang et al. [91] literature review. -170. C_methane Ct_rad 300-2500 4.53E+11 0 0 0.50 *10.0 0 0 0 4 Tsang et al. [89] literature review. -171. C_methane Cb_rad 560-1410 5.0E+11 0 0 8.60 0 0 0 0 2 Heckmann et al. [124] -172. C_methane CO_pri_rad 300-2500 1.82E+03 2.85 0 22.46 *5.0 0 0 0 4 Tsang et al. [89] literature review. -173. C_methane CO_rad/NonDe 300-2500 5.43E+02 2.88 0 21.46 *5.0 0 0 0 4 Tsang et al. [89] literature review. -174. C_methane O_pri_rad 223-2400 3.85E-01 3.95 0 0.55 0 0 0 0 3 Melissas and Truhlar [125] Transition state theory. -175. C_methane O_pri_rad 240-2500 3.93E+06 1.83 0 2.78 *1.41 0 0 0 4 Baulch et al. [95] literature review. -176. C_methane O_pri_rad 298-1510 2.55E+07 1.60 0 3.12 0 0 0 0 3 Cohen et al. [101] Transition state theory. -177. C_methane O_rad/NonDeC 300-2000 1.55E-04 5.00 0 5.58 0 0 0 0 2 Jodkowski et al. [100] ab initio calculations. -178. C_methane O_rad/NonDeO 300-2500 4.53E+10 0 0 18.58 *5.0 0 0 0 4 Tsang et al. [89] literature review. -179. C/H3/Cs O2b 500-2000 1.005E+13 0 0 51.87 *10.0 0 0 0 4 Baulch et al. [95] literature review. -180. C/H3/Cs Ct_rad 300-1500 6.02E+11 0 0 0 *3 0 0 0 4 Tsang et al. [89] literature review. -181. C/H3/Cs Cb_rad 565-1000 3.48E+10 0 0 4.44 *2.35 0 0 0.18 2 Park et al. [126] -182. C/H3/Cs CO_pri_rad 300-2500 7.82E+03 2.72 0 18.24 *5.0 0 0 0 4 Tsang et al. [89] literature review. -183. C/H3/Cs CO_rad/NonDe 300-2500 3.02E+03 2.75 0 17.53 *5.0 0 0 0 4 Tsang et al. [89] literature review. -184. C/H3/Cs O_pri_rad 250-2000 1.20E+06 2.00 0 0.86 *1.41 0 0 0 4 Baulch et al. [95] literature review. -185. C/H3/CO O_pri_rad 295-600 5.17E+05 2.20 0 1.00 0 0 0 0 3 Taylor et al. [127] Transition state theory. -186. C/H3/O C_methyl 300-2000 2.05E-04 4.90 0 6.72 0 0 0 0 2 Jodkowski et al. [100] ab initio calculations. -187. C/H3/O O_pri_rad 300-2000 8.14E+03 2.80 0 -0.42 0 0 0 0 2 Jodkowski et al. [100] ab initio calculations. -1001. C/H3/O H_rad 300-2000 4.51E+02 3.20 0 3.49 0 0 0 0 2 Jodkowski et al. [100] ab initio calculations. added by Greg Magoon 08/25/09 -188. C/H2/NonDeC O2b 300-2500 1.985E+13 0 0 47.69 *10.0 0 0 0 4 Tsang [91] literature review. -189. C/H2/NonDeC CH2_triplet 300-2500 7.55E-01 3.46 0 7.47 *10.0 0 0 0 4 Tsang [91] literature review. -190. C/H2/NonDeC O_atom_triplet 300-2500 2.39E+04 2.71 0 2.11 *2.0 0 0 0 4 Tsang [91] literature review. -191. C/H2/NonDeC C_rad/H2/O 300-2500 3.02E+01 2.95 0 11.98 *5.0 0 0 0 4 Tsang [91] literature review. -192. C/H2/NonDeC Cd_pri_rad 300-2500 5.10E+02 3.10 0 8.82 *10.0 0 0 0 4 Tsang [91] literature review. -193. C/H2/NonDeC Ct_rad 300-2500 6.05E+11 0 0 0 *3.0 0 0 0 4 Tsang [91] literature review. -194. C/H2/NonDeC CO_pri_rad 300-2500 5.4E+06 1.90 0 17.01 *3.0 0 0 0 4 Tsang [91] literature review. -195. C/H2/NonDeC CO_rad/NonDe 300-2500 2.65E+06 2.00 0 16.24 *3.0 0 0 0 4 Tsang [91] literature review. -196. C/H2/NonDeC O_pri_rad 295-1220 3.95E+06 1.90 0 0.16 0 0 0 0 3 Cohen et al. [101] Transition state theory. -197. C/H2/NonDeC O_rad/NonDeC 300-2500 7.25E+10 0 0 4.57 *5.0 0 0 0 4 Tsang [91] literature review. -198. C/H/Cs3 O2b 300-2500 3.97E+13 0 0 43.92 *3.0 0 0 0 4 Tsang [92] literature review. -199. C/H/Cs3 O_atom_triplet 300-2500 1.57E+05 2.50 0 1.11 *2.0 0 0 0 4 Tsang [92] literature review. -200. C/H/Cs3 CH2_triplet 300-2500 1.09E+12 0 0 4.91 *5.0 0 0 0 4 Tsang [92] literature review. -201. C/H/Cs3 Cd_pri_rad 300-2500 9.04E-01 3.46 0 2.60 *5.0 0 0 0 4 Tsang [92] literature review. -202. C/H/Cs3 Ct_rad 300-2500 6.62E+11 0 0 0 *3.0 0 0 0 4 Tsang [92] literature review. -203. C/H/Cs3 CO_pri_rad 300-2500 3.43E+04 2.50 0 13.51 *5.0 0 0 0 4 Tsang [92] literature review. -204. C/H/Cs3 CO_rad/NonDe 300-2500 3.43E+04 2.50 0 13.51 *10.0 0 0 0 4 Tsang [92] literature review. -205. C/H/Cs3 O_pri_rad 298-1150 2.57E+06 1.90 0 1.45 0 0 0 0 3 Cohen et al. [101] Transition state theory. -206. C/H/Cs3 O_rad/NonDeC 300-2500 2.29E+10 0 0 2.88 *10.0 0 0 0 4 Tsang [92] literature review. -207. Cd_pri O2b 300-2500 1.792E+13 0 0 60.01 0 0 0 0 4 Hua, Ruscic, and Wang 2005, transition state theory. -//208. Cd_pri CO_birad 300-2500 3.78E+13 0 0 90.62 *5.0 0 0 0 4 Tsang [89] literature review. -209. Cd_pri O_atom_triplet 290-1510 3.78E+06 1.91 0 3.74 0 0 0 0 3 Mahmud et al. [128] Transition state theory -210. Cd_pri C_rad/H2/Cs 300-2500 1.58E+02 3.13 0 18.00 *10.0 0 0 0 4 Tsang [89] literature review. -211. Cd_pri O_pri_rad 650-1500 5.13E+12 0 0 5.94 *3.16 0 0 0 4 Baulch et al. [95] literature review. -212. Cd/H/NonDeC O_atom_triplet 300-2500 6.02E+10 0.70 0 7.63 *3.0 0 0 0 4 Tsang [93] literature review. -//213. Cd/H/NonDeC H_rad 300-2500 2.37E+00 0 0 7.31 *5.0 0 0 0 4 Tsang [93] literature review. -213. Cd/H/NonDeC H_rad 300-2500 4.09e+05 2.5 0 9.79 *4.0 0.0 0.0 0.0 4 Tsang [93] literature review. -//214. Cd/H/NonDeC C_methyl 300-2500 3.8E-01 0 0 5.98 *100.0 0 0 0 4 Tsang [93] literature review. -214. Cd/H/NonDeC C_methyl 300-2500 0.842 3.5 0.0 11.66 *6.0 0.0 0.0 0.0 4 Tsang [93] literature review. -//215. Cd/H/NonDeC Cd_pri_rad 300-2500 3.8E-01 0 0 4.99 *10.0 0 0 0 4 Tsang [93] literature review. -215. Cd/H/NonDeC Cd_pri_rad 300-2500 0.842 3.5 0.0 9.67 *6.0 0.0 0.0 0.0 4 Tsang [93] literature review. -216. Cd/H/NonDeC Ct_rad 300-2500 1.21E+12 0 0 0 *5.0 0 0 0 4 Tsang [93] literature review. -//217. Cd/H/NonDeC O_pri_rad 300-2500 1.11E+06 2.00 0 1.45 0 0 0 0 4 Tsang [93] literature review. -217. Cd/H/NonDeC O_pri_rad 300-2500 1.11E+06 2.00 0 1.45 *2 0.0 0.0 0.0 4 Tsang [93] literature review. -218. Ct_H O2b 300-2500 6.05E+12 0 0 74.52 *10.0 0 0 0 4 Tsang [89] literature review. -//219. Ct_H CO_birad 300-2500 2.41E+14 0 0 107 *10.0 0 0 0 4 Tsang [89] literature review. -220. Ct_H C_rad/H2/Cs 300-2500 1.36E+11 0 0 23.45 *5.0 0 0 0 4 Tsang [89] literature review. -221. Ct_H O_pri_rad 300-2500 7.25E+03 2.68 0 12.04 *10.0 0 0 0 4 Tsang [89] literature review. -222. Cb_H O2b 1200-1700 1.052E+13 0 0 60.01 0 0 0 0 4 Asaba et al. [129]. Data are estimated. -223. Cb_H H_rad 500-800 1.00E+08 1.80 0 16.35 0 0 0 0 4 Mebel et al. [122] RRK(M) extrapolation. -224. Cb_H H_rad 298-1000 5.02E+11 0 0 8.11 0 0 0 0 5 Nicovich et al. [130] -225. Cb_H C_rad/H2/Cs 650-770 1.05E+11 0 0 14.86 *2.0 0 0 1.19 5 Zhang et al. [131] -226. Cb_H O_pri_rad 400-1500 2.72E+07 1.42 0 1.45 *2.0 0 0 0 4 Baulch et al. [95] literature review. -227. CO_pri O2b 300-2200 2.34E+07 2.05 0 37.93 0 0 0 0 3 Michael et al. [132] Transition state theory. -228. CO_pri O_atom_triplet 250-2200 2.08E+11 0.57 0 2.76 *2.0 0 0 0 4 Baulch et al. [95] literature review. -229. CO_pri CH2_triplet 300-2500 3.02E+09 0 0 0 0 0 0 0 4 Tsang [89] literature review. -230. CO_pri C_methyl 300-2000 3.89E-08 6.10 0 1.97 *1.58 0 0 0 4 Baulch et al. [94] literature review. -231. CO_pri C_rad/H2/Cs 300-2500 2.75E+03 2.81 0 5.86 *5.0 0 0 0 4 Tsang [89] literature review. -232. CO_pri C_rad/H/NonDeC 300-2500 5.40E+10 0 0 6.96 *2.5 0 0 0 4 Tsang [91] literature review. -233. CO_pri C_rad/Cs3 300-2500 1.63E+09 0 0 3.56 *5.0 0 0 0 4 Tsang [92] literature review. -234. CO_pri Cd_pri_rad 300-2500 2.71E+03 2.81 0 5.86 *5.0 0 0 0 4 Tsang [89] literature review. -235. CO_pri CO_rad/NonDe 300-2500 9.05E+10 0 0 12.92 *10.0 0 0 0 4 Tsang [89] literature review. -236. CO_pri O_pri_rad 300-3000 1.72E+09 1.18 0 -0.45 *5.0 0 0 0 4 Baulch et al. [95] literature review. -237. CO_pri O_rad/NonDeC 300-2500 5.10E+10 0 0 2.98 *3.0 0 0 0 4 Tsang [89] literature review. -238. CO_pri O_rad/NonDeO 641-1600 2.06E+04 2.50 0 10.21 0 0 0 0 4 Eiteneer et al. [133] literature review. -239. CO/H/NonDe O2b 600-1100 3.01E+13 0 0 39.15 *10.0 0 0 0 4 Baulch et al. [95] literature review. -240. CO/H/NonDe O_atom_triplet 300-2000 5.0E+12 0 0 1.79 *2.0 0 0 0 4 Warnatz [134] literature review -241. CO/H/NonDe H_rad 300-2000 4.0E+13 0 0 4.21 *2.0 0 0 0 4 Warnatz [134] literature review -242. CO/H/NonDe C_methyl 300-1250 1.99E-06 5.64 0 2.46 *2.0 0 0 0 4 Baulch et al. [95] literature review. -243. CO/H/NonDe C_rad/H2/Cd 790-810 3.8E+11 0 0 7.21 0 0 0 0 5 Loser et al. [135] bond strength-bond length method. -244. CO/H/NonDe Cd_pri_rad 480-520 8.13E+10 0 0 3.68 0 0 0 0 5 Scherzer et al. [136] bond energy-bond order method. -//245. CO/H/NonDe O_pri_rad 295-600 2.0E+06 1.80 0 1.30 0 0 0 0 3 Taylor et al. [127] Transition state theory. -245. CO/H/NonDe O_pri_rad 295-600 2.0E+06 1.80 0 -1.30 0 0 0 0 3 Taylor et al. [127] Transition state theory. -246. CO/H/NonDe O_pri_rad 300-2000 1.0E+13 0 0 0 *2.51 0 0 0 4 Warnatz [134] literature review -247. CO/H/NonDe O_rad/NonDeO 900-1200 3.01E+12 0 0 11.92 *5.0 0 0 0 4 Baulch et al. [95] literature review. -248. O_pri O2b 300-1000 2.325E+12 0 0 74.12 0 0 0 0 5 Mayer et al. [137] Bond energy-bond order. -249. O_pri O_atom_triplet 298-1000 2.63E+09 1.20 0 17.83 0 0 0 0 3 Karach et al. [138] Transition state theory. -250. O_pri O_atom_triplet 300-2000 7.40E+04 2.60 0 15.18 0 0 0 0 3 Harding et al. [139] Transition state theory. -251. O_pri H_rad 300-2500 2.26E+08 1.60 0 19.32 *1.6 0 0 0 4 Baulch et al. [95] literature review. -252. O_pri C_methyl 300-1500 3.20E+00 3.31 0 12.56 0 0 0 0 3 Ma et al. [140] Transition state theory. -253. O_pri C_methyl 300-2500 2.42E+02 2.90 0 14.86 *1.6 0 0 0 4 Tsang [89] literature review. -254. O_pri C_rad/H2/Cs 300-2500 1.70E+06 1.44 0 20.27 *2.0 0 0 0 4 Tsang [89] literature review. -255. O_pri Cd_pri_rad 300-2500 2.42E+02 2.90 0 14.86 *5.0 0 0 0 4 Tsang [89] literature review. -256. O_pri CO_pri_rad 300-2500 1.18E+08 1.35 0 26.03 *5.0 0 0 0 4 Tsang [89] literature review. -//257. O_pri O_pri_rad 200-700 6.45E-06 5.01 0 0.61 0 0 0 0 3 Masgrau et al. [141] Transition state theory w/tunneling correction. -257. O_pri O_pri_rad 200-700 2.417E-07 5.48 0 0.274 0.0 0.0 0.0 0.0 3 Masgrau et al. [141] Transition state theory. -258. O_pri O_rad/NonDeC 300-2000 1.74E-01 3.80 0 11.49 0 0 0 0 2 Jodkowski et al. [100] ab initio calculations. -259. O/H/NonDeC O_atom_triplet 300-1000 1.0E+13 0 0 4.69 *2.51 0 0 0 4 Warnatz [134] literature review -260. O/H/NonDeC CH2_triplet 300-2500 1.44E+01 3.10 0 6.94 *3.0 0 0 0 4 Tsang [90] literature review. -261. O/H/NonDeC C_methyl 300-2000 3.70E-04 4.70 0 5.78 0 0 0 0 2 Jodkowski et al. [100] ab initio calculations. -262. O/H/NonDeC C_rad/H2/Cs 300-2500 1.44E+01 3.10 0 8.94 *3.0 0 0 0 4 Tsang [90] literature review. -//263. O/H/NonDeC C_rad/H/NonDeC 300-2500 1.45E+01 3.10 0 10.33 *5.0 0 0 0 4 Tsang [90] literature review. -263. O/H/NonDeC C_rad/H/NonDeC 300-2500 1.45E+01 3.10 0 10.33 *5.0 0 0 0 4 Tsang [91] literature review. -//264. O/H/NonDeC C_rad/Cs3 300-2500 1.51E+03 1.80 0 9.36 *10.0 0 0 0 4 Tsang [90] literature review. -264. O/H/NonDeC C_rad/Cs3 300-2500 1.51E+03 1.80 0 9.36 *10.0 0 0 0 4 Tsang [92] literature review. -265. O/H/NonDeC Cd_pri_rad 300-2500 1.44E+01 3.10 0 6.94 *10.0 0 0 0 4 Tsang [90] literature review. -266. O/H/NonDeC Ct_rad 300-2500 1.21E+12 0 0 0 *5.0 0 0 0 4 Tsang [90] literature review. -267. O/H/NonDeC O_pri_rad 300-2000 1.73E+01 3.40 0 -1.14 0 0 0 0 2 Jodkowski et al. [100] ab initio calculations. -268. O/H/NonDeC O_pri_rad 300-2000 1.0E+13 0 0 1.70 *3.16 0 0 0 4 Warnatz [134] literature review - -// (Reverse) Rates for nButanol+HO2=H2O2+radicals -301. H2O2 C_rad/H2/Cs\H2\Cs|Cs#O 600-2000 2.88E+00 3.16 0.0 0.75 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -302. H2O2 C_rad/H/Cs\H2\Cs|O/Cs 600-2000 6.75E-01 3.42 0.0 1.43 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -303. H2O2 C_rad/H/Cs\H2\Cs/Cs\H2\O 600-2000 3.145E-01 3.52 0.0 1.61 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -304. H2O2 C_rad/H/Cs\H2\Cs|H2|Cs/O 600-2000 1.485E+00 3.39 0.0 1.40 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -// (Reverse) Rates for sButanol+HO2=H2O2+radicals -305. H2O2 C_rad/H2/Cs\H2\Cs|Cs|O 600-2000 5.75E+00 2.94 0.0 0.46 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -306. H2O2 C_rad/H/Cs\H\Cs\O/Cs 600-2000 8.75E-01 2.91 0.0 -0.41 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -307. H2O2 C_rad/O/Cs/Cs\Cs 600-2000 1.73E+01 3.05 0.0 1.02 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -308. H2O2 C_rad/H2/Cs\H\Cs\Cs|O 600-2000 3.055E-01 3.53 0.0 1.52 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -// (Reverse) Rates for tButanol+HO2=H2O2+radicals -309. H2O2 C_rad/H2/Cs\Cs2\O 600-2000 2.100E-01 3.53 0.0 1.56 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -486. Orad_O_H O_rad/NonDeO 300-1500 1.75E+10 0 0 -3.275 0 0 0 0 5 [8] Curran's estimation in reaction type 13, RO2 + HO2 --> RO2H + O2 - -// Rate constants involving sulfur - -24. H2 C_rad/H2/S 300-1500 8.00E-03 4.24 0.00 13.1 0 0 0 0 4 Aaron Vandeputte GAVs -25. H2 C_rad/H/CsS 300-1500 1.43E-02 4.24 0.00 13.1 0 0 0 0 4 Aaron Vandeputte GAV -26. H2 C_rad/Cs2S 300-1500 5.76E-03 4.24 0.00 12.8 0 0 0 0 4 Aaron Vandeputte GAVs -27. H2 Cd_rad/NonDeS 300-1500 4.78E-02 4.24 0.00 5.3 0 0 0 0 4 Aaron Vandeputte GAVs -28. H2 C_rad/H/CdS 300-1500 7.89E-02 4.24 0.00 24.2 0 0 0 0 4 Aaron Vandeputte GAVs -29. H2 C_rad/CdCsS 300-1500 9.97E-03 4.24 0.00 24.2 0 0 0 0 4 Aaron Vandeputte GAVs -30. H2 C_rad/H/CtS 300-1500 4.69E-02 4.24 0.00 22.7 0 0 0 0 4 Aaron Vandeputte GAVs -31. H2 C_rad/CtCsS 300-1500 1.92E-01 4.24 0.00 23.5 0 0 0 0 4 Aaron Vandeputte GAVs -55. C_methane C_rad/H2/S 300-1500 4.52E-03 4.24 0.00 15.8 0 0 0 0 4 Aaron Vandeputte GAVs -56. C_methane C_rad/H/CsS 300-1500 8.07E-03 4.24 0.00 15.8 0 0 0 0 4 Aaron Vandeputte GAVs -57. C_methane C_rad/Cs2S 300-1500 3.26E-03 4.24 0.00 15.6 0 0 0 0 4 Aaron Vandeputte GAVs -58. C_methane Cd_rad/NonDeS 300-1500 2.70E-02 4.24 0.00 8.0 0 0 0 0 4 Aaron Vandeputte GAVs -59. C_methane C_rad/H/CdS 300-1500 4.46E-02 4.24 0.00 26.9 0 0 0 0 4 Aaron Vandeputte GAVs -60. C_methane C_rad/CdCsS 300-1500 5.64E-03 4.24 0.00 26.9 0 0 0 0 4 Aaron Vandeputte GAVs -61. C_methane C_rad/H/CtS 300-1500 2.65E-02 4.24 0.00 25.5 0 0 0 0 4 Aaron Vandeputte GAVs -62. C_methane C_rad/CtCsS 300-1500 1.08E-01 4.24 0.00 26.2 0 0 0 0 4 Aaron Vandeputte GAVs -86. C/H3/Cs C_rad/H2/S 300-1500 6.81E-03 4.24 0.00 13.4 0 0 0 0 4 Aaron Vandeputte GAVs -87. C/H3/Cs C_rad/H/CsS 300-1500 1.22E-02 4.24 0.00 13.4 0 0 0 0 4 Aaron Vandeputte GAVs -88. C/H3/Cs C_rad/Cs2S 300-1500 4.91E-03 4.24 0.00 13.2 0 0 0 0 4 Aaron Vandeputte GAVs -89. C/H3/Cs Cd_rad/NonDeS 300-1500 4.07E-02 4.24 0.00 5.7 0 0 0 0 4 Aaron Vandeputte GAVs -90. C/H3/Cs C_rad/H/CdS 300-1500 6.72E-02 4.24 0.00 24.6 0 0 0 0 4 Aaron Vandeputte GAVs -91. C/H3/Cs C_rad/CdCsS 300-1500 8.49E-03 4.24 0.00 24.6 0 0 0 0 4 Aaron Vandeputte GAVs -92. C/H3/Cs C_rad/H/CtS 300-1500 4.00E-02 4.24 0.00 23.1 0 0 0 0 4 Aaron Vandeputte GAVs -93. C/H3/Cs C_rad/CtCsS 300-1500 1.63E-01 4.24 0.00 23.9 0 0 0 0 4 Aaron Vandeputte GAVs -117. C/H2/NonDeC C_rad/H2/S 300-1500 1.56E-02 4.24 0.00 11.4 0 0 0 0 4 Aaron Vandeputte GAVs -118. C/H2/NonDeC C_rad/H/CsS 300-1500 2.79E-02 4.24 0.00 11.4 0 0 0 0 4 Aaron Vandeputte GAVs -119. C/H2/NonDeC C_rad/Cs2S 300-1500 1.12E-02 4.24 0.00 11.2 0 0 0 0 4 Aaron Vandeputte GAVs -120. C/H2/NonDeC Cd_rad/NonDeS 300-1500 9.33E-02 4.24 0.00 3.7 0 0 0 0 4 Aaron Vandeputte GAVs -121. C/H2/NonDeC C_rad/H/CdS 300-1500 1.54E-01 4.24 0.00 22.6 0 0 0 0 4 Aaron Vandeputte GAVs -122. C/H2/NonDeC C_rad/CdCsS 300-1500 1.95E-02 4.24 0.00 22.6 0 0 0 0 4 Aaron Vandeputte GAVs -123. C/H2/NonDeC C_rad/H/CtS 300-1500 9.15E-02 4.24 0.00 21.1 0 0 0 0 4 Aaron Vandeputte GAVs -124. C/H2/NonDeC C_rad/CtCsS 300-1500 3.74E-01 4.24 0.00 21.9 0 0 0 0 4 Aaron Vandeputte GAVs -148. C/H/Cs3 C_rad/H2/S 300-1500 9.40E-03 4.24 0.00 9.6 0 0 0 0 4 Aaron Vandeputte GAVs -149. C/H/Cs3 C_rad/H/CsS 300-1500 1.68E-02 4.24 0.00 9.6 0 0 0 0 4 Aaron Vandeputte GAVs -150. C/H/Cs3 C_rad/Cs2S 300-1500 6.77E-03 4.24 0.00 9.4 0 0 0 0 4 Aaron Vandeputte GAVs -151. C/H/Cs3 Cd_rad/NonDeS 300-1500 5.62E-02 4.24 0.00 1.8 0 0 0 0 4 Aaron Vandeputte GAVs -152. C/H/Cs3 C_rad/H/CdS 300-1500 9.28E-02 4.24 0.00 20.7 0 0 0 0 4 Aaron Vandeputte GAVs -153. C/H/Cs3 C_rad/CdCsS 300-1500 1.17E-02 4.24 0.00 20.7 0 0 0 0 4 Aaron Vandeputte GAVs -154. C/H/Cs3 C_rad/H/CtS 300-1500 5.52E-02 4.24 0.00 19.3 0 0 0 0 4 Aaron Vandeputte GAVs -155. C/H/Cs3 C_rad/CtCsS 300-1500 2.26E-01 4.24 0.00 20.0 0 0 0 0 4 Aaron Vandeputte GAVs -179. C/H3/Cd C_rad/H2/S 300-1500 1.40E-03 4.24 0.00 10.1 0 0 0 0 4 Aaron Vandeputte GAVs -180. C/H3/Cd C_rad/H/CsS 300-1500 2.50E-03 4.24 0.00 10.2 0 0 0 0 4 Aaron Vandeputte GAVs -181. C/H3/Cd C_rad/Cs2S 300-1500 1.01E-03 4.24 0.00 9.9 0 0 0 0 4 Aaron Vandeputte GAVs -182. C/H3/Cd Cd_rad/NonDeS 300-1500 8.35E-03 4.24 0.00 2.4 0 0 0 0 4 Aaron Vandeputte GAVs -183. C/H3/Cd C_rad/H/CdS 300-1500 1.38E-02 4.24 0.00 21.3 0 0 0 0 4 Aaron Vandeputte GAVs -184. C/H3/Cd C_rad/CdCsS 300-1500 1.74E-03 4.24 0.00 21.3 0 0 0 0 4 Aaron Vandeputte GAVs -185. C/H3/Cd C_rad/H/CtS 300-1500 8.20E-03 4.24 0.00 19.8 0 0 0 0 4 Aaron Vandeputte GAVs -186. C/H3/Cd C_rad/CtCsS 300-1500 3.35E-02 4.24 0.00 20.6 0 0 0 0 4 Aaron Vandeputte GAVs -210. C/H2/CdCs C_rad/H2/S 300-1500 5.55E-03 4.24 0.00 8.8 0 0 0 0 4 Aaron Vandeputte GAVs -211. C/H2/CdCs C_rad/H/CsS 300-1500 9.91E-03 4.24 0.00 8.8 0 0 0 0 4 Aaron Vandeputte GAVs -212. C/H2/CdCs C_rad/Cs2S 300-1500 4.00E-03 4.24 0.00 8.6 0 0 0 0 4 Aaron Vandeputte GAVs -213. C/H2/CdCs Cd_rad/NonDeS 300-1500 3.32E-02 4.24 0.00 1.1 0 0 0 0 4 Aaron Vandeputte GAVs -214. C/H2/CdCs C_rad/H/CdS 300-1500 5.47E-02 4.24 0.00 20.0 0 0 0 0 4 Aaron Vandeputte GAVs -215. C/H2/CdCs C_rad/CdCsS 300-1500 6.92E-03 4.24 0.00 20.0 0 0 0 0 4 Aaron Vandeputte GAVs -216. C/H2/CdCs C_rad/H/CtS 300-1500 3.25E-02 4.24 0.00 18.5 0 0 0 0 4 Aaron Vandeputte GAVs -217. C/H2/CdCs C_rad/CtCsS 300-1500 1.33E-01 4.24 0.00 19.3 0 0 0 0 4 Aaron Vandeputte GAVs -241. C/H/Cs2Cd C_rad/H2/S 300-1500 5.97E-03 4.24 0.00 7.7 0 0 0 0 4 Aaron Vandeputte GAVs -242. C/H/Cs2Cd C_rad/H/CsS 300-1500 1.07E-02 4.24 0.00 7.7 0 0 0 0 4 Aaron Vandeputte GAVs -243. C/H/Cs2Cd C_rad/Cs2S 300-1500 4.30E-03 4.24 0.00 7.5 0 0 0 0 4 Aaron Vandeputte GAVs -244. C/H/Cs2Cd Cd_rad/NonDeS 300-1500 3.57E-02 4.24 0.00 -0.1 0 0 0 0 4 Aaron Vandeputte GAVs -245. C/H/Cs2Cd C_rad/H/CdS 300-1500 5.89E-02 4.24 0.00 18.8 0 0 0 0 4 Aaron Vandeputte GAVs -246. C/H/Cs2Cd C_rad/CdCsS 300-1500 7.45E-03 4.24 0.00 18.8 0 0 0 0 4 Aaron Vandeputte GAVs -247. C/H/Cs2Cd C_rad/H/CtS 300-1500 3.50E-02 4.24 0.00 17.4 0 0 0 0 4 Aaron Vandeputte GAVs -248. C/H/Cs2Cd C_rad/CtCsS 300-1500 1.43E-01 4.24 0.00 18.2 0 0 0 0 4 Aaron Vandeputte GAVs -272. C/H2/CdCd C_rad/H2/S 300-1500 7.54E-03 4.24 0.00 7.2 0 0 0 0 4 Aaron Vandeputte GAVs -273. C/H2/CdCd C_rad/H/CsS 300-1500 1.35E-02 4.24 0.00 7.2 0 0 0 0 4 Aaron Vandeputte GAVs -274. C/H2/CdCd C_rad/Cs2S 300-1500 5.43E-03 4.24 0.00 7.0 0 0 0 0 4 Aaron Vandeputte GAVs -275. C/H2/CdCd Cd_rad/NonDeS 300-1500 4.50E-02 4.24 0.00 -0.6 0 0 0 0 4 Aaron Vandeputte GAVs -276. C/H2/CdCd C_rad/H/CdS 300-1500 7.44E-02 4.24 0.00 18.3 0 0 0 0 4 Aaron Vandeputte GAVs -277. C/H2/CdCd C_rad/CdCsS 300-1500 9.40E-03 4.24 0.00 18.3 0 0 0 0 4 Aaron Vandeputte GAVs -278. C/H2/CdCd C_rad/H/CtS 300-1500 4.42E-02 4.24 0.00 16.9 0 0 0 0 4 Aaron Vandeputte GAVs -279. C/H2/CdCd C_rad/CtCsS 300-1500 1.81E-01 4.24 0.00 17.7 0 0 0 0 4 Aaron Vandeputte GAVs -303. C/H/CdCd C_rad/H2/S 300-1500 6.07E-03 4.24 0.00 6.1 0 0 0 0 4 Aaron Vandeputte GAVs -304. C/H/CdCd C_rad/H/CsS 300-1500 1.08E-02 4.24 0.00 6.2 0 0 0 0 4 Aaron Vandeputte GAVs -305. C/H/CdCd C_rad/Cs2S 300-1500 4.37E-03 4.24 0.00 5.9 0 0 0 0 4 Aaron Vandeputte GAVs -306. C/H/CdCd Cd_rad/NonDeS 300-1500 3.63E-02 4.24 0.00 -1.6 0 0 0 0 4 Aaron Vandeputte GAVs -307. C/H/CdCd C_rad/H/CdS 300-1500 5.98E-02 4.24 0.00 17.3 0 0 0 0 4 Aaron Vandeputte GAVs -308. C/H/CdCd C_rad/CdCsS 300-1500 7.56E-03 4.24 0.00 17.3 0 0 0 0 4 Aaron Vandeputte GAVs -309. C/H/CdCd C_rad/H/CtS 300-1500 3.56E-02 4.24 0.00 15.8 0 0 0 0 4 Aaron Vandeputte GAVs -310. C/H/CdCd C_rad/CtCsS 300-1500 1.45E-01 4.24 0.00 16.6 0 0 0 0 4 Aaron Vandeputte GAVs -334. C/H3/Ct C_rad/H2/S 300-1500 3.88E-03 4.24 0.00 10.7 0 0 0 0 4 Aaron Vandeputte GAVs -335. C/H3/Ct C_rad/H/CsS 300-1500 6.93E-03 4.24 0.00 10.7 0 0 0 0 4 Aaron Vandeputte GAVs -336. C/H3/Ct C_rad/Cs2S 300-1500 2.79E-03 4.24 0.00 10.5 0 0 0 0 4 Aaron Vandeputte GAVs -337. C/H3/Ct Cd_rad/NonDeS 300-1500 2.32E-02 4.24 0.00 2.9 0 0 0 0 4 Aaron Vandeputte GAVs -338. C/H3/Ct C_rad/H/CdS 300-1500 3.83E-02 4.24 0.00 21.8 0 0 0 0 4 Aaron Vandeputte GAVs -339. C/H3/Ct C_rad/CdCsS 300-1500 4.83E-03 4.24 0.00 21.8 0 0 0 0 4 Aaron Vandeputte GAVs -340. C/H3/Ct C_rad/H/CtS 300-1500 2.27E-02 4.24 0.00 20.4 0 0 0 0 4 Aaron Vandeputte GAVs -341. C/H3/Ct C_rad/CtCsS 300-1500 9.30E-02 4.24 0.00 21.2 0 0 0 0 4 Aaron Vandeputte GAVs -365. C/H2/CtCs C_rad/H2/S 300-1500 5.30E-03 4.24 0.00 9.2 0 0 0 0 4 Aaron Vandeputte GAVs -366. C/H2/CtCs C_rad/H/CsS 300-1500 9.46E-03 4.24 0.00 9.2 0 0 0 0 4 Aaron Vandeputte GAVs -367. C/H2/CtCs C_rad/Cs2S 300-1500 3.82E-03 4.24 0.00 9.0 0 0 0 0 4 Aaron Vandeputte GAVs -368. C/H2/CtCs Cd_rad/NonDeS 300-1500 3.17E-02 4.24 0.00 1.4 0 0 0 0 4 Aaron Vandeputte GAVs -369. C/H2/CtCs C_rad/H/CdS 300-1500 5.23E-02 4.24 0.00 20.4 0 0 0 0 4 Aaron Vandeputte GAVs -370. C/H2/CtCs C_rad/CdCsS 300-1500 6.60E-03 4.24 0.00 20.4 0 0 0 0 4 Aaron Vandeputte GAVs -371. C/H2/CtCs C_rad/H/CtS 300-1500 3.11E-02 4.24 0.00 18.9 0 0 0 0 4 Aaron Vandeputte GAVs -372. C/H2/CtCs C_rad/CtCsS 300-1500 1.27E-01 4.24 0.00 19.7 0 0 0 0 4 Aaron Vandeputte GAVs -396. C/H/Cs2Ct C_rad/H2/S 300-1500 9.47E-03 4.24 0.00 7.7 0 0 0 0 4 Aaron Vandeputte GAVs -397. C/H/Cs2Ct C_rad/H/CsS 300-1500 1.69E-02 4.24 0.00 7.8 0 0 0 0 4 Aaron Vandeputte GAVs -398. C/H/Cs2Ct C_rad/Cs2S 300-1500 6.82E-03 4.24 0.00 7.5 0 0 0 0 4 Aaron Vandeputte GAVs -399. C/H/Cs2Ct Cd_rad/NonDeS 300-1500 5.66E-02 4.24 0.00 0.0 0 0 0 0 4 Aaron Vandeputte GAVs -400. C/H/Cs2Ct C_rad/H/CdS 300-1500 9.34E-02 4.24 0.00 18.9 0 0 0 0 4 Aaron Vandeputte GAVs -401. C/H/Cs2Ct C_rad/CdCsS 300-1500 1.18E-02 4.24 0.00 18.9 0 0 0 0 4 Aaron Vandeputte GAVs -402. C/H/Cs2Ct C_rad/H/CtS 300-1500 5.55E-02 4.24 0.00 17.4 0 0 0 0 4 Aaron Vandeputte GAVs -403. C/H/Cs2Ct C_rad/CtCsS 300-1500 2.27E-01 4.24 0.00 18.2 0 0 0 0 4 Aaron Vandeputte GAVs -427. C/H2/CtCt C_rad/H2/S 300-1500 6.74E-03 4.24 0.00 7.3 0 0 0 0 4 Aaron Vandeputte GAVs -428. C/H2/CtCt C_rad/H/CsS 300-1500 1.20E-02 4.24 0.00 7.3 0 0 0 0 4 Aaron Vandeputte GAVs -429. C/H2/CtCt C_rad/Cs2S 300-1500 4.86E-03 4.24 0.00 7.1 0 0 0 0 4 Aaron Vandeputte GAVs -430. C/H2/CtCt Cd_rad/NonDeS 300-1500 4.03E-02 4.24 0.00 -0.5 0 0 0 0 4 Aaron Vandeputte GAVs -431. C/H2/CtCt C_rad/H/CdS 300-1500 6.65E-02 4.24 0.00 18.5 0 0 0 0 4 Aaron Vandeputte GAVs -432. C/H2/CtCt C_rad/CdCsS 300-1500 8.40E-03 4.24 0.00 18.5 0 0 0 0 4 Aaron Vandeputte GAVs -433. C/H2/CtCt C_rad/H/CtS 300-1500 3.95E-02 4.24 0.00 17.0 0 0 0 0 4 Aaron Vandeputte GAVs -434. C/H2/CtCt C_rad/CtCsS 300-1500 1.62E-01 4.24 0.00 17.8 0 0 0 0 4 Aaron Vandeputte GAVs -458. C/H/CtCt C_rad/H2/S 300-1500 7.43E-03 4.24 0.00 6.2 0 0 0 0 4 Aaron Vandeputte GAVs -459. C/H/CtCt C_rad/H/CsS 300-1500 1.33E-02 4.24 0.00 6.2 0 0 0 0 4 Aaron Vandeputte GAVs -460. C/H/CtCt C_rad/Cs2S 300-1500 5.35E-03 4.24 0.00 6.0 0 0 0 0 4 Aaron Vandeputte GAVs -461. C/H/CtCt Cd_rad/NonDeS 300-1500 4.44E-02 4.24 0.00 -1.5 0 0 0 0 4 Aaron Vandeputte GAVs -462. C/H/CtCt C_rad/H/CdS 300-1500 7.33E-02 4.24 0.00 17.4 0 0 0 0 4 Aaron Vandeputte GAVs -463. C/H/CtCt C_rad/CdCsS 300-1500 9.26E-03 4.24 0.00 17.4 0 0 0 0 4 Aaron Vandeputte GAVs -464. C/H/CtCt C_rad/H/CtS 300-1500 4.36E-02 4.24 0.00 15.9 0 0 0 0 4 Aaron Vandeputte GAVs -465. C/H/CtCt C_rad/CtCsS 300-1500 1.78E-01 4.24 0.00 16.7 0 0 0 0 4 Aaron Vandeputte GAVs -489. C/H3/Cb C_rad/H2/S 300-1500 1.25E-03 4.24 0.00 12.0 0 0 0 0 4 Aaron Vandeputte GAVs -490. C/H3/Cb C_rad/H/CsS 300-1500 2.23E-03 4.24 0.00 12.0 0 0 0 0 4 Aaron Vandeputte GAVs -491. C/H3/Cb C_rad/Cs2S 300-1500 8.98E-04 4.24 0.00 11.8 0 0 0 0 4 Aaron Vandeputte GAVs -492. C/H3/Cb Cd_rad/NonDeS 300-1500 7.45E-03 4.24 0.00 4.2 0 0 0 0 4 Aaron Vandeputte GAVs -493. C/H3/Cb C_rad/H/CdS 300-1500 1.23E-02 4.24 0.00 23.2 0 0 0 0 4 Aaron Vandeputte GAVs -494. C/H3/Cb C_rad/CdCsS 300-1500 1.55E-03 4.24 0.00 23.2 0 0 0 0 4 Aaron Vandeputte GAVs -495. C/H3/Cb C_rad/H/CtS 300-1500 7.31E-03 4.24 0.00 21.7 0 0 0 0 4 Aaron Vandeputte GAVs -496. C/H3/Cb C_rad/CtCsS 300-1500 2.99E-02 4.24 0.00 22.5 0 0 0 0 4 Aaron Vandeputte GAVs -520. C/H2/CbCs C_rad/H2/S 300-1500 1.84E-03 4.24 0.00 10.2 0 0 0 0 4 Aaron Vandeputte GAVs -521. C/H2/CbCs C_rad/H/CsS 300-1500 3.29E-03 4.24 0.00 10.2 0 0 0 0 4 Aaron Vandeputte GAVs -522. C/H2/CbCs C_rad/Cs2S 300-1500 1.33E-03 4.24 0.00 10.0 0 0 0 0 4 Aaron Vandeputte GAVs -523. C/H2/CbCs Cd_rad/NonDeS 300-1500 1.10E-02 4.24 0.00 2.5 0 0 0 0 4 Aaron Vandeputte GAVs -524. C/H2/CbCs C_rad/H/CdS 300-1500 1.82E-02 4.24 0.00 21.4 0 0 0 0 4 Aaron Vandeputte GAVs -525. C/H2/CbCs C_rad/CdCsS 300-1500 2.29E-03 4.24 0.00 21.4 0 0 0 0 4 Aaron Vandeputte GAVs -526. C/H2/CbCs C_rad/H/CtS 300-1500 1.08E-02 4.24 0.00 19.9 0 0 0 0 4 Aaron Vandeputte GAVs -527. C/H2/CbCs C_rad/CtCsS 300-1500 4.41E-02 4.24 0.00 20.7 0 0 0 0 4 Aaron Vandeputte GAVs -551. C/H/Cs2Cb C_rad/H2/S 300-1500 1.27E-03 4.24 0.00 9.1 0 0 0 0 4 Aaron Vandeputte GAVs -552. C/H/Cs2Cb C_rad/H/CsS 300-1500 2.28E-03 4.24 0.00 9.1 0 0 0 0 4 Aaron Vandeputte GAVs -553. C/H/Cs2Cb C_rad/Cs2S 300-1500 9.18E-04 4.24 0.00 8.9 0 0 0 0 4 Aaron Vandeputte GAVs -554. C/H/Cs2Cb Cd_rad/NonDeS 300-1500 7.62E-03 4.24 0.00 1.3 0 0 0 0 4 Aaron Vandeputte GAVs -555. C/H/Cs2Cb C_rad/H/CdS 300-1500 1.26E-02 4.24 0.00 20.3 0 0 0 0 4 Aaron Vandeputte GAVs -556. C/H/Cs2Cb C_rad/CdCsS 300-1500 1.59E-03 4.24 0.00 20.3 0 0 0 0 4 Aaron Vandeputte GAVs -557. C/H/Cs2Cb C_rad/H/CtS 300-1500 7.48E-03 4.24 0.00 18.8 0 0 0 0 4 Aaron Vandeputte GAVs -558. C/H/Cs2Cb C_rad/CtCsS 300-1500 3.06E-02 4.24 0.00 19.6 0 0 0 0 4 Aaron Vandeputte GAVs -582. Cd_pri C_rad/H2/S 300-1500 6.55E-03 4.24 0.00 16.2 0 0 0 0 4 Aaron Vandeputte GAVs -583. Cd_pri C_rad/H/CsS 300-1500 1.17E-02 4.24 0.00 16.2 0 0 0 0 4 Aaron Vandeputte GAVs -584. Cd_pri C_rad/Cs2S 300-1500 4.72E-03 4.24 0.00 16.0 0 0 0 0 4 Aaron Vandeputte GAVs -585. Cd_pri Cd_rad/NonDeS 300-1500 3.91E-02 4.24 0.00 8.4 0 0 0 0 4 Aaron Vandeputte GAVs -586. Cd_pri C_rad/H/CdS 300-1500 6.46E-02 4.24 0.00 27.3 0 0 0 0 4 Aaron Vandeputte GAVs -587. Cd_pri C_rad/CdCsS 300-1500 8.17E-03 4.24 0.00 27.3 0 0 0 0 4 Aaron Vandeputte GAVs -588. Cd_pri C_rad/H/CtS 300-1500 3.84E-02 4.24 0.00 25.9 0 0 0 0 4 Aaron Vandeputte GAVs -589. Cd_pri C_rad/CtCsS 300-1500 1.57E-01 4.24 0.00 26.6 0 0 0 0 4 Aaron Vandeputte GAVs -613. Cd/H/NonDeC C_rad/H2/S 300-1500 1.01E-02 4.24 0.00 13.9 0 0 0 0 4 Aaron Vandeputte GAVs -614. Cd/H/NonDeC C_rad/H/CsS 300-1500 1.80E-02 4.24 0.00 13.9 0 0 0 0 4 Aaron Vandeputte GAVs -615. Cd/H/NonDeC C_rad/Cs2S 300-1500 7.25E-03 4.24 0.00 13.7 0 0 0 0 4 Aaron Vandeputte GAVs -616. Cd/H/NonDeC Cd_rad/NonDeS 300-1500 6.01E-02 4.24 0.00 6.1 0 0 0 0 4 Aaron Vandeputte GAVs -617. Cd/H/NonDeC C_rad/H/CdS 300-1500 9.93E-02 4.24 0.00 25.1 0 0 0 0 4 Aaron Vandeputte GAVs -618. Cd/H/NonDeC C_rad/CdCsS 300-1500 1.25E-02 4.24 0.00 25.1 0 0 0 0 4 Aaron Vandeputte GAVs -619. Cd/H/NonDeC C_rad/H/CtS 300-1500 5.90E-02 4.24 0.00 23.6 0 0 0 0 4 Aaron Vandeputte GAVs -620. Cd/H/NonDeC C_rad/CtCsS 300-1500 2.41E-01 4.24 0.00 24.4 0 0 0 0 4 Aaron Vandeputte GAVs -644. Cd/H/Cd C_rad/H2/S 300-1500 6.75E-03 4.24 0.00 13.8 0 0 0 0 4 Aaron Vandeputte GAVs -645. Cd/H/Cd C_rad/H/CsS 300-1500 1.21E-02 4.24 0.00 13.8 0 0 0 0 4 Aaron Vandeputte GAVs -646. Cd/H/Cd C_rad/Cs2S 300-1500 4.86E-03 4.24 0.00 13.5 0 0 0 0 4 Aaron Vandeputte GAVs -647. Cd/H/Cd Cd_rad/NonDeS 300-1500 4.04E-02 4.24 0.00 6.0 0 0 0 0 4 Aaron Vandeputte GAVs -648. Cd/H/Cd C_rad/H/CdS 300-1500 6.66E-02 4.24 0.00 24.9 0 0 0 0 4 Aaron Vandeputte GAVs -649. Cd/H/Cd C_rad/CdCsS 300-1500 8.42E-03 4.24 0.00 24.9 0 0 0 0 4 Aaron Vandeputte GAVs -650. Cd/H/Cd C_rad/H/CtS 300-1500 3.96E-02 4.24 0.00 23.4 0 0 0 0 4 Aaron Vandeputte GAVs -651. Cd/H/Cd C_rad/CtCsS 300-1500 1.62E-01 4.24 0.00 24.2 0 0 0 0 4 Aaron Vandeputte GAVs -675. Cb_H C_rad/H2/S 300-1500 7.47E-03 4.24 0.00 18.1 0 0 0 0 4 Aaron Vandeputte GAVs -676. Cb_H C_rad/H/CsS 300-1500 1.33E-02 4.24 0.00 18.1 0 0 0 0 4 Aaron Vandeputte GAVs -677. Cb_H C_rad/Cs2S 300-1500 5.38E-03 4.24 0.00 17.8 0 0 0 0 4 Aaron Vandeputte GAVs -678. Cb_H Cd_rad/NonDeS 300-1500 4.46E-02 4.24 0.00 10.3 0 0 0 0 4 Aaron Vandeputte GAVs -679. Cb_H C_rad/H/CdS 300-1500 7.37E-02 4.24 0.00 29.2 0 0 0 0 4 Aaron Vandeputte GAVs -680. Cb_H C_rad/CdCsS 300-1500 9.31E-03 4.24 0.00 29.2 0 0 0 0 4 Aaron Vandeputte GAVs -681. Cb_H C_rad/H/CtS 300-1500 4.38E-02 4.24 0.00 27.7 0 0 0 0 4 Aaron Vandeputte GAVs -682. Cb_H C_rad/CtCsS 300-1500 1.79E-01 4.24 0.00 28.5 0 0 0 0 4 Aaron Vandeputte GAVs -706 Cd/H/Ct C_rad/H2/S 300-1500 4.98E-03 4.24 0.00 11.4 0 0 0 0 4 Aaron Vandeputte GAVs -707 Cd/H/Ct C_rad/H/CsS 300-1500 8.89E-03 4.24 0.00 11.4 0 0 0 0 4 Aaron Vandeputte GAVs -708 Cd/H/Ct C_rad/Cs2S 300-1500 3.59E-03 4.24 0.00 11.2 0 0 0 0 4 Aaron Vandeputte GAVs -709 Cd/H/Ct Cd_rad/NonDeS 300-1500 2.98E-02 4.24 0.00 3.6 0 0 0 0 4 Aaron Vandeputte GAVs -710 Cd/H/Ct C_rad/H/CdS 300-1500 4.91E-02 4.24 0.00 22.5 0 0 0 0 4 Aaron Vandeputte GAVs -711 Cd/H/Ct C_rad/CdCsS 300-1500 6.21E-03 4.24 0.00 22.5 0 0 0 0 4 Aaron Vandeputte GAVs -712 Cd/H/Ct C_rad/H/CtS 300-1500 2.92E-02 4.24 0.00 21.1 0 0 0 0 4 Aaron Vandeputte GAVs -713 Cd/H/Ct C_rad/CtCsS 300-1500 1.19E-01 4.24 0.00 21.8 0 0 0 0 4 Aaron Vandeputte GAVs -714 C/H3/S H_rad 300-1500 1.77E-01 4.24 0.00 3.7 0 0 0 0 4 Aaron Vandeputte GAVs -715 C/H3/S C_methyl 300-1500 5.11E-03 4.24 0.00 5.9 0 0 0 0 4 Aaron Vandeputte GAVs -716 C/H3/S C_rad/H2/Cs 300-1500 1.04E-03 4.24 0.00 7.3 0 0 0 0 4 Aaron Vandeputte GAVs -717 C/H3/S C_rad/H/NonDeC 300-1500 2.75E-03 4.24 0.00 8.1 0 0 0 0 4 Aaron Vandeputte GAVs -718 C/H3/S C_rad/Cs3 300-1500 1.44E-03 4.24 0.00 8.1 0 0 0 0 4 Aaron Vandeputte GAVs -719 C/H3/S C_rad/H2/Cd 300-1500 1.07E-02 4.24 0.00 18.7 0 0 0 0 4 Aaron Vandeputte GAVs -720 C/H3/S C_rad/H/CdCs 300-1500 8.46E-03 4.24 0.00 20.4 0 0 0 0 4 Aaron Vandeputte GAVs -721 C/H3/S C_rad/CdCs2 300-1500 2.31E-03 4.24 0.00 20.9 0 0 0 0 4 Aaron Vandeputte GAVs -722 C/H3/S C_rad/H/CdCd 300-1500 3.41E-02 4.24 0.00 28.7 0 0 0 0 4 Aaron Vandeputte GAVs -723 C/H3/S C_rad/CdCdCs 300-1500 3.02E-03 4.24 0.00 29.1 0 0 0 0 4 Aaron Vandeputte GAVs -724 C/H3/S C_rad/H2/Ct 300-1500 4.88E-03 4.24 0.00 14.9 0 0 0 0 4 Aaron Vandeputte GAVs -725 C/H3/S C_rad/H/CtCs 300-1500 2.03E-03 4.24 0.00 16.4 0 0 0 0 4 Aaron Vandeputte GAVs -726 C/H3/S C_rad/CtCs2 300-1500 1.44E-03 4.24 0.00 17.3 0 0 0 0 4 Aaron Vandeputte GAVs -727 C/H3/S C_rad/H/CtCt 300-1500 1.03E-02 4.24 0.00 22.9 0 0 0 0 4 Aaron Vandeputte GAVs -728 C/H3/S C_rad/CtCtCs 300-1500 5.08E-04 4.24 0.00 24.0 0 0 0 0 4 Aaron Vandeputte GAVs -729 C/H3/S C_rad/H2/Cb 300-1500 1.05E-02 4.24 0.00 16.5 0 0 0 0 4 Aaron Vandeputte GAVs -730 C/H3/S C_rad/H/CbCs 300-1500 5.38E-03 4.24 0.00 17.4 0 0 0 0 4 Aaron Vandeputte GAVs -731 C/H3/S C_rad/CbCs2 300-1500 2.56E-04 4.24 0.00 17.0 0 0 0 0 4 Aaron Vandeputte GAVs -732 C/H3/S Cd_pri_rad 300-1500 4.81E-03 4.24 0.00 1.3 0 0 0 0 4 Aaron Vandeputte GAVs -733 C/H3/S Cd_rad/NonDeC 300-1500 4.76E-03 4.24 0.00 2.1 0 0 0 0 4 Aaron Vandeputte GAVs -734 C/H3/S Cd_rad/Cd 300-1500 2.27E-03 4.24 0.00 9.0 0 0 0 0 4 Aaron Vandeputte GAVs -735 C/H3/S Cb_rad 300-1500 5.72E-03 4.24 0.00 -1.5 0 0 0 0 4 Aaron Vandeputte GAVs -736 C/H3/S Cd_rad/Ct 300-1500 4.87E-04 4.24 0.00 6.2 0 0 0 0 4 Aaron Vandeputte GAVs -737 C/H3/S C_rad/H2/S 300-1500 1.65E-03 4.24 0.00 11.2 0 0 0 0 4 Aaron Vandeputte GAVs -738 C/H3/S C_rad/H/CsS 300-1500 2.94E-03 4.24 0.00 11.2 0 0 0 0 4 Aaron Vandeputte GAVs -739 C/H3/S C_rad/Cs2S 300-1500 1.19E-03 4.24 0.00 11.0 0 0 0 0 4 Aaron Vandeputte GAVs -740 C/H3/S Cd_rad/NonDeS 300-1500 9.86E-03 4.24 0.00 3.4 0 0 0 0 4 Aaron Vandeputte GAVs -741 C/H3/S C_rad/H/CdS 300-1500 1.63E-02 4.24 0.00 22.3 0 0 0 0 4 Aaron Vandeputte GAVs -742 C/H3/S C_rad/CdCsS 300-1500 2.06E-03 4.24 0.00 22.3 0 0 0 0 4 Aaron Vandeputte GAVs -743 C/H3/S C_rad/H/CtS 300-1500 9.67E-03 4.24 0.00 20.9 0 0 0 0 4 Aaron Vandeputte GAVs -744 C/H3/S C_rad/CtCsS 300-1500 3.95E-02 4.24 0.00 21.6 0 0 0 0 4 Aaron Vandeputte GAVs -745 C/H2/CsS H_rad 300-1500 4.87E-01 4.24 0.00 2.3 0 0 0 0 4 Aaron Vandeputte GAVs -746 C/H2/CsS C_methyl 300-1500 1.41E-02 4.24 0.00 4.4 0 0 0 0 4 Aaron Vandeputte GAVs -747 C/H2/CsS C_rad/H2/Cs 300-1500 2.87E-03 4.24 0.00 5.8 0 0 0 0 4 Aaron Vandeputte GAVs -748 C/H2/CsS C_rad/H/NonDeC 300-1500 7.59E-03 4.24 0.00 6.7 0 0 0 0 4 Aaron Vandeputte GAVs -749 C/H2/CsS C_rad/Cs3 300-1500 3.98E-03 4.24 0.00 6.7 0 0 0 0 4 Aaron Vandeputte GAVs -750 C/H2/CsS C_rad/H2/Cd 300-1500 2.96E-02 4.24 0.00 17.2 0 0 0 0 4 Aaron Vandeputte GAVs -751 C/H2/CsS C_rad/H/CdCs 300-1500 2.33E-02 4.24 0.00 19.0 0 0 0 0 4 Aaron Vandeputte GAVs -752 C/H2/CsS C_rad/CdCs2 300-1500 6.38E-03 4.24 0.00 19.4 0 0 0 0 4 Aaron Vandeputte GAVs -753 C/H2/CsS C_rad/H/CdCd 300-1500 9.39E-02 4.24 0.00 27.2 0 0 0 0 4 Aaron Vandeputte GAVs -754 C/H2/CsS C_rad/CdCdCs 300-1500 8.34E-03 4.24 0.00 27.7 0 0 0 0 4 Aaron Vandeputte GAVs -755 C/H2/CsS C_rad/H2/Ct 300-1500 1.35E-02 4.24 0.00 13.4 0 0 0 0 4 Aaron Vandeputte GAVs -756 C/H2/CsS C_rad/H/CtCs 300-1500 5.60E-03 4.24 0.00 15.0 0 0 0 0 4 Aaron Vandeputte GAVs -757 C/H2/CsS C_rad/CtCs2 300-1500 3.97E-03 4.24 0.00 15.8 0 0 0 0 4 Aaron Vandeputte GAVs -758 C/H2/CsS C_rad/H/CtCt 300-1500 2.85E-02 4.24 0.00 21.5 0 0 0 0 4 Aaron Vandeputte GAVs -759 C/H2/CsS C_rad/CtCtCs 300-1500 1.40E-03 4.24 0.00 22.5 0 0 0 0 4 Aaron Vandeputte GAVs -760 C/H2/CsS C_rad/H2/Cb 300-1500 2.89E-02 4.24 0.00 15.1 0 0 0 0 4 Aaron Vandeputte GAVs -761 C/H2/CsS C_rad/H/CbCs 300-1500 1.48E-02 4.24 0.00 15.9 0 0 0 0 4 Aaron Vandeputte GAVs -762 C/H2/CsS C_rad/CbCs2 300-1500 7.07E-04 4.24 0.00 15.5 0 0 0 0 4 Aaron Vandeputte GAVs -763 C/H2/CsS Cd_pri_rad 300-1500 1.33E-02 4.24 0.00 -0.2 0 0 0 0 4 Aaron Vandeputte GAVs -764 C/H2/CsS Cd_rad/NonDeC 300-1500 1.31E-02 4.24 0.00 0.7 0 0 0 0 4 Aaron Vandeputte GAVs -765 C/H2/CsS Cd_rad/Cd 300-1500 6.26E-03 4.24 0.00 7.5 0 0 0 0 4 Aaron Vandeputte GAVs -766 C/H2/CsS Cb_rad 300-1500 1.58E-02 4.24 0.00 -2.9 0 0 0 0 4 Aaron Vandeputte GAVs -767 C/H2/CsS Cd_rad/Ct 300-1500 1.34E-03 4.24 0.00 4.8 0 0 0 0 4 Aaron Vandeputte GAVs -768 C/H2/CsS C_rad/H2/S 300-1500 4.55E-03 4.24 0.00 9.7 0 0 0 0 4 Aaron Vandeputte GAVs -769 C/H2/CsS C_rad/H/CsS 300-1500 8.12E-03 4.24 0.00 9.7 0 0 0 0 4 Aaron Vandeputte GAVs -770 C/H2/CsS C_rad/Cs2S 300-1500 3.28E-03 4.24 0.00 9.5 0 0 0 0 4 Aaron Vandeputte GAVs -771 C/H2/CsS Cd_rad/NonDeS 300-1500 2.72E-02 4.24 0.00 2.0 0 0 0 0 4 Aaron Vandeputte GAVs -772 C/H2/CsS C_rad/H/CdS 300-1500 4.49E-02 4.24 0.00 20.9 0 0 0 0 4 Aaron Vandeputte GAVs -773 C/H2/CsS C_rad/CdCsS 300-1500 5.67E-03 4.24 0.00 20.9 0 0 0 0 4 Aaron Vandeputte GAVs -774 C/H2/CsS C_rad/H/CtS 300-1500 2.67E-02 4.24 0.00 19.4 0 0 0 0 4 Aaron Vandeputte GAVs -775 C/H2/CsS C_rad/CtCsS 300-1500 1.09E-01 4.24 0.00 20.2 0 0 0 0 4 Aaron Vandeputte GAVs -776 C/H/Cs2S H_rad 300-1500 5.95E-01 4.24 0.00 0.8 0 0 0 0 4 Aaron Vandeputte GAVs -777 C/H/Cs2S C_methyl 300-1500 1.72E-02 4.24 0.00 2.9 0 0 0 0 4 Aaron Vandeputte GAVs -778 C/H/Cs2S C_rad/H2/Cs 300-1500 3.51E-03 4.24 0.00 4.3 0 0 0 0 4 Aaron Vandeputte GAVs -779 C/H/Cs2S C_rad/H/NonDeC 300-1500 9.26E-03 4.24 0.00 5.2 0 0 0 0 4 Aaron Vandeputte GAVs -780 C/H/Cs2S C_rad/Cs3 300-1500 4.87E-03 4.24 0.00 5.2 0 0 0 0 4 Aaron Vandeputte GAVs -781 C/H/Cs2S C_rad/H2/Cd 300-1500 3.62E-02 4.24 0.00 15.7 0 0 0 0 4 Aaron Vandeputte GAVs -782 C/H/Cs2S C_rad/H/CdCs 300-1500 2.85E-02 4.24 0.00 17.5 0 0 0 0 4 Aaron Vandeputte GAVs -783 C/H/Cs2S C_rad/CdCs2 300-1500 7.79E-03 4.24 0.00 17.9 0 0 0 0 4 Aaron Vandeputte GAVs -784 C/H/Cs2S C_rad/H/CdCd 300-1500 1.15E-01 4.24 0.00 25.7 0 0 0 0 4 Aaron Vandeputte GAVs -785 C/H/Cs2S C_rad/CdCdCs 300-1500 1.02E-02 4.24 0.00 26.2 0 0 0 0 4 Aaron Vandeputte GAVs -786 C/H/Cs2S C_rad/H2/Ct 300-1500 1.64E-02 4.24 0.00 11.9 0 0 0 0 4 Aaron Vandeputte GAVs -787 C/H/Cs2S C_rad/H/CtCs 300-1500 6.84E-03 4.24 0.00 13.5 0 0 0 0 4 Aaron Vandeputte GAVs -788 C/H/Cs2S C_rad/CtCs2 300-1500 4.85E-03 4.24 0.00 14.3 0 0 0 0 4 Aaron Vandeputte GAVs -789 C/H/Cs2S C_rad/H/CtCt 300-1500 3.48E-02 4.24 0.00 20.0 0 0 0 0 4 Aaron Vandeputte GAVs -790 C/H/Cs2S C_rad/CtCtCs 300-1500 1.71E-03 4.24 0.00 21.0 0 0 0 0 4 Aaron Vandeputte GAVs -791 C/H/Cs2S C_rad/H2/Cb 300-1500 3.53E-02 4.24 0.00 13.6 0 0 0 0 4 Aaron Vandeputte GAVs -792 C/H/Cs2S C_rad/H/CbCs 300-1500 1.81E-02 4.24 0.00 14.4 0 0 0 0 4 Aaron Vandeputte GAVs -793 C/H/Cs2S C_rad/CbCs2 300-1500 8.64E-04 4.24 0.00 14.0 0 0 0 0 4 Aaron Vandeputte GAVs -794 C/H/Cs2S Cd_pri_rad 300-1500 1.62E-02 4.24 0.00 -1.7 0 0 0 0 4 Aaron Vandeputte GAVs -795 C/H/Cs2S Cd_rad/NonDeC 300-1500 1.60E-02 4.24 0.00 -0.8 0 0 0 0 4 Aaron Vandeputte GAVs -796 C/H/Cs2S Cd_rad/Cd 300-1500 7.65E-03 4.24 0.00 6.0 0 0 0 0 4 Aaron Vandeputte GAVs -797 C/H/Cs2S Cb_rad 300-1500 1.93E-02 4.24 0.00 -4.4 0 0 0 0 4 Aaron Vandeputte GAVs -798 C/H/Cs2S Cd_rad/Ct 300-1500 1.64E-03 4.24 0.00 3.3 0 0 0 0 4 Aaron Vandeputte GAVs -799 C/H/Cs2S C_rad/H2/S 300-1500 5.55E-03 4.24 0.00 8.2 0 0 0 0 4 Aaron Vandeputte GAVs -800 C/H/Cs2S C_rad/H/CsS 300-1500 9.92E-03 4.24 0.00 8.2 0 0 0 0 4 Aaron Vandeputte GAVs -801 C/H/Cs2S C_rad/Cs2S 300-1500 4.00E-03 4.24 0.00 8.0 0 0 0 0 4 Aaron Vandeputte GAVs -802 C/H/Cs2S Cd_rad/NonDeS 300-1500 3.32E-02 4.24 0.00 0.4 0 0 0 0 4 Aaron Vandeputte GAVs -803 C/H/Cs2S C_rad/H/CdS 300-1500 5.48E-02 4.24 0.00 19.4 0 0 0 0 4 Aaron Vandeputte GAVs -804 C/H/Cs2S C_rad/CdCsS 300-1500 6.92E-03 4.24 0.00 19.4 0 0 0 0 4 Aaron Vandeputte GAVs -805 C/H/Cs2S C_rad/H/CtS 300-1500 3.26E-02 4.24 0.00 17.9 0 0 0 0 4 Aaron Vandeputte GAVs -806 C/H/Cs2S C_rad/CtCsS 300-1500 1.33E-01 4.24 0.00 18.7 0 0 0 0 4 Aaron Vandeputte GAVs -807 Cd/H/CS H_rad 300-1500 1.24E+00 4.24 0.00 4.7 0 0 0 0 4 Aaron Vandeputte GAVs -808 Cd/H/CS C_methyl 300-1500 3.60E-02 4.24 0.00 6.8 0 0 0 0 4 Aaron Vandeputte GAVs -809 Cd/H/CS C_rad/H2/Cs 300-1500 7.33E-03 4.24 0.00 8.2 0 0 0 0 4 Aaron Vandeputte GAVs -810 Cd/H/CS C_rad/H/NonDeC 300-1500 1.94E-02 4.24 0.00 9.1 0 0 0 0 4 Aaron Vandeputte GAVs -811 Cd/H/CS C_rad/Cs3 300-1500 1.02E-02 4.24 0.00 9.1 0 0 0 0 4 Aaron Vandeputte GAVs -812 Cd/H/CS C_rad/H2/Cd 300-1500 7.56E-02 4.24 0.00 19.6 0 0 0 0 4 Aaron Vandeputte GAVs -813 Cd/H/CS C_rad/H/CdCs 300-1500 5.96E-02 4.24 0.00 21.4 0 0 0 0 4 Aaron Vandeputte GAVs -814 Cd/H/CS C_rad/CdCs2 300-1500 1.63E-02 4.24 0.00 21.9 0 0 0 0 4 Aaron Vandeputte GAVs -815 Cd/H/CS C_rad/H/CdCd 300-1500 2.40E-01 4.24 0.00 29.7 0 0 0 0 4 Aaron Vandeputte GAVs -816 Cd/H/CS C_rad/CdCdCs 300-1500 2.13E-02 4.24 0.00 30.1 0 0 0 0 4 Aaron Vandeputte GAVs -817 Cd/H/CS C_rad/H2/Ct 300-1500 3.44E-02 4.24 0.00 15.8 0 0 0 0 4 Aaron Vandeputte GAVs -818 Cd/H/CS C_rad/H/CtCs 300-1500 1.43E-02 4.24 0.00 17.4 0 0 0 0 4 Aaron Vandeputte GAVs -819 Cd/H/CS C_rad/CtCs2 300-1500 1.01E-02 4.24 0.00 18.2 0 0 0 0 4 Aaron Vandeputte GAVs -820 Cd/H/CS C_rad/H/CtCt 300-1500 7.28E-02 4.24 0.00 23.9 0 0 0 0 4 Aaron Vandeputte GAVs -821 Cd/H/CS C_rad/CtCtCs 300-1500 3.58E-03 4.24 0.00 25.0 0 0 0 0 4 Aaron Vandeputte GAVs -822 Cd/H/CS C_rad/H2/Cb 300-1500 7.38E-02 4.24 0.00 17.5 0 0 0 0 4 Aaron Vandeputte GAVs -823 Cd/H/CS C_rad/H/CbCs 300-1500 3.79E-02 4.24 0.00 18.3 0 0 0 0 4 Aaron Vandeputte GAVs -824 Cd/H/CS C_rad/CbCs2 300-1500 1.81E-03 4.24 0.00 17.9 0 0 0 0 4 Aaron Vandeputte GAVs -825 Cd/H/CS Cd_pri_rad 300-1500 3.39E-02 4.24 0.00 2.2 0 0 0 0 4 Aaron Vandeputte GAVs -826 Cd/H/CS Cd_rad/NonDeC 300-1500 3.35E-02 4.24 0.00 3.1 0 0 0 0 4 Aaron Vandeputte GAVs -827 Cd/H/CS Cd_rad/Cd 300-1500 1.60E-02 4.24 0.00 9.9 0 0 0 0 4 Aaron Vandeputte GAVs -828 Cd/H/CS Cb_rad 300-1500 4.03E-02 4.24 0.00 -0.5 0 0 0 0 4 Aaron Vandeputte GAVs -829 Cd/H/CS Cd_rad/Ct 300-1500 3.43E-03 4.24 0.00 7.2 0 0 0 0 4 Aaron Vandeputte GAVs -830 Cd/H/CS C_rad/H2/S 300-1500 1.16E-02 4.24 0.00 12.1 0 0 0 0 4 Aaron Vandeputte GAVs -831 Cd/H/CS C_rad/H/CsS 300-1500 2.07E-02 4.24 0.00 12.1 0 0 0 0 4 Aaron Vandeputte GAVs -832 Cd/H/CS C_rad/Cs2S 300-1500 8.37E-03 4.24 0.00 11.9 0 0 0 0 4 Aaron Vandeputte GAVs -833 Cd/H/CS Cd_rad/NonDeS 300-1500 6.94E-02 4.24 0.00 4.4 0 0 0 0 4 Aaron Vandeputte GAVs -834 Cd/H/CS C_rad/H/CdS 300-1500 1.15E-01 4.24 0.00 23.3 0 0 0 0 4 Aaron Vandeputte GAVs -835 Cd/H/CS C_rad/CdCsS 300-1500 1.45E-02 4.24 0.00 23.3 0 0 0 0 4 Aaron Vandeputte GAVs -836 Cd/H/CS C_rad/H/CtS 300-1500 6.81E-02 4.24 0.00 21.8 0 0 0 0 4 Aaron Vandeputte GAVs -837 Cd/H/CS C_rad/CtCsS 300-1500 2.79E-01 4.24 0.00 22.6 0 0 0 0 4 Aaron Vandeputte GAVs -838 C/H2/CdS H_rad 300-1500 8.93E-01 4.24 0.00 1.3 0 0 0 0 4 Aaron Vandeputte GAVs -839 C/H2/CdS C_methyl 300-1500 2.58E-02 4.24 0.00 3.4 0 0 0 0 4 Aaron Vandeputte GAVs -840 C/H2/CdS C_rad/H2/Cs 300-1500 5.26E-03 4.24 0.00 4.8 0 0 0 0 4 Aaron Vandeputte GAVs -841 C/H2/CdS C_rad/H/NonDeC 300-1500 1.39E-02 4.24 0.00 5.7 0 0 0 0 4 Aaron Vandeputte GAVs -842 C/H2/CdS C_rad/Cs3 300-1500 7.30E-03 4.24 0.00 5.7 0 0 0 0 4 Aaron Vandeputte GAVs -843 C/H2/CdS C_rad/H2/Cd 300-1500 5.43E-02 4.24 0.00 16.2 0 0 0 0 4 Aaron Vandeputte GAVs -844 C/H2/CdS C_rad/H/CdCs 300-1500 4.28E-02 4.24 0.00 18.0 0 0 0 0 4 Aaron Vandeputte GAVs -845 C/H2/CdS C_rad/CdCs2 300-1500 1.17E-02 4.24 0.00 18.5 0 0 0 0 4 Aaron Vandeputte GAVs -846 C/H2/CdS C_rad/H/CdCd 300-1500 1.72E-01 4.24 0.00 26.3 0 0 0 0 4 Aaron Vandeputte GAVs -847 C/H2/CdS C_rad/CdCdCs 300-1500 1.53E-02 4.24 0.00 26.7 0 0 0 0 4 Aaron Vandeputte GAVs -848 C/H2/CdS C_rad/H2/Ct 300-1500 2.47E-02 4.24 0.00 12.4 0 0 0 0 4 Aaron Vandeputte GAVs -849 C/H2/CdS C_rad/H/CtCs 300-1500 1.03E-02 4.24 0.00 14.0 0 0 0 0 4 Aaron Vandeputte GAVs -850 C/H2/CdS C_rad/CtCs2 300-1500 7.28E-03 4.24 0.00 14.8 0 0 0 0 4 Aaron Vandeputte GAVs -851 C/H2/CdS C_rad/H/CtCt 300-1500 5.23E-02 4.24 0.00 20.5 0 0 0 0 4 Aaron Vandeputte GAVs -852 C/H2/CdS C_rad/CtCtCs 300-1500 2.57E-03 4.24 0.00 21.6 0 0 0 0 4 Aaron Vandeputte GAVs -853 C/H2/CdS C_rad/H2/Cb 300-1500 5.29E-02 4.24 0.00 14.1 0 0 0 0 4 Aaron Vandeputte GAVs -854 C/H2/CdS C_rad/H/CbCs 300-1500 2.72E-02 4.24 0.00 14.9 0 0 0 0 4 Aaron Vandeputte GAVs -855 C/H2/CdS C_rad/CbCs2 300-1500 1.30E-03 4.24 0.00 14.5 0 0 0 0 4 Aaron Vandeputte GAVs -856 C/H2/CdS Cd_pri_rad 300-1500 2.43E-02 4.24 0.00 -1.2 0 0 0 0 4 Aaron Vandeputte GAVs -857 C/H2/CdS Cd_rad/NonDeC 300-1500 2.40E-02 4.24 0.00 -0.3 0 0 0 0 4 Aaron Vandeputte GAVs -858 C/H2/CdS Cd_rad/Cd 300-1500 1.15E-02 4.24 0.00 6.5 0 0 0 0 4 Aaron Vandeputte GAVs -859 C/H2/CdS Cb_rad 300-1500 2.89E-02 4.24 0.00 -3.9 0 0 0 0 4 Aaron Vandeputte GAVs -860 C/H2/CdS Cd_rad/Ct 300-1500 2.46E-03 4.24 0.00 3.8 0 0 0 0 4 Aaron Vandeputte GAVs -861 C/H2/CdS C_rad/H2/S 300-1500 8.34E-03 4.24 0.00 8.7 0 0 0 0 4 Aaron Vandeputte GAVs -862 C/H2/CdS C_rad/H/CsS 300-1500 1.49E-02 4.24 0.00 8.7 0 0 0 0 4 Aaron Vandeputte GAVs -863 C/H2/CdS C_rad/Cs2S 300-1500 6.00E-03 4.24 0.00 8.5 0 0 0 0 4 Aaron Vandeputte GAVs -864 C/H2/CdS Cd_rad/NonDeS 300-1500 4.98E-02 4.24 0.00 1.0 0 0 0 0 4 Aaron Vandeputte GAVs -865 C/H2/CdS C_rad/H/CdS 300-1500 8.23E-02 4.24 0.00 19.9 0 0 0 0 4 Aaron Vandeputte GAVs -866 C/H2/CdS C_rad/CdCsS 300-1500 1.04E-02 4.24 0.00 19.9 0 0 0 0 4 Aaron Vandeputte GAVs -867 C/H2/CdS C_rad/H/CtS 300-1500 4.89E-02 4.24 0.00 18.4 0 0 0 0 4 Aaron Vandeputte GAVs -868 C/H2/CdS C_rad/CtCsS 300-1500 2.00E-01 4.24 0.00 19.2 0 0 0 0 4 Aaron Vandeputte GAVs -869 C/H/CdCsS H_rad 300-1500 4.81E-01 4.24 0.00 0.0 0 0 0 0 4 Aaron Vandeputte GAVs -870 C/H/CdCsS C_methyl 300-1500 1.39E-02 4.24 0.00 2.2 0 0 0 0 4 Aaron Vandeputte GAVs -871 C/H/CdCsS C_rad/H2/Cs 300-1500 2.83E-03 4.24 0.00 3.6 0 0 0 0 4 Aaron Vandeputte GAVs -872 C/H/CdCsS C_rad/H/NonDeC 300-1500 7.49E-03 4.24 0.00 4.4 0 0 0 0 4 Aaron Vandeputte GAVs -873 C/H/CdCsS C_rad/Cs3 300-1500 3.93E-03 4.24 0.00 4.4 0 0 0 0 4 Aaron Vandeputte GAVs -874 C/H/CdCsS C_rad/H2/Cd 300-1500 2.92E-02 4.24 0.00 14.9 0 0 0 0 4 Aaron Vandeputte GAVs -875 C/H/CdCsS C_rad/H/CdCs 300-1500 2.30E-02 4.24 0.00 16.7 0 0 0 0 4 Aaron Vandeputte GAVs -876 C/H/CdCsS C_rad/CdCs2 300-1500 6.30E-03 4.24 0.00 17.2 0 0 0 0 4 Aaron Vandeputte GAVs -877 C/H/CdCsS C_rad/H/CdCd 300-1500 9.27E-02 4.24 0.00 25.0 0 0 0 0 4 Aaron Vandeputte GAVs -878 C/H/CdCsS C_rad/CdCdCs 300-1500 8.23E-03 4.24 0.00 25.4 0 0 0 0 4 Aaron Vandeputte GAVs -879 C/H/CdCsS C_rad/H2/Ct 300-1500 1.33E-02 4.24 0.00 11.2 0 0 0 0 4 Aaron Vandeputte GAVs -880 C/H/CdCsS C_rad/H/CtCs 300-1500 5.53E-03 4.24 0.00 12.7 0 0 0 0 4 Aaron Vandeputte GAVs -881 C/H/CdCsS C_rad/CtCs2 300-1500 3.92E-03 4.24 0.00 13.6 0 0 0 0 4 Aaron Vandeputte GAVs -882 C/H/CdCsS C_rad/H/CtCt 300-1500 2.82E-02 4.24 0.00 19.2 0 0 0 0 4 Aaron Vandeputte GAVs -883 C/H/CdCsS C_rad/CtCtCs 300-1500 1.38E-03 4.24 0.00 20.3 0 0 0 0 4 Aaron Vandeputte GAVs -884 C/H/CdCsS C_rad/H2/Cb 300-1500 2.85E-02 4.24 0.00 12.8 0 0 0 0 4 Aaron Vandeputte GAVs -885 C/H/CdCsS C_rad/H/CbCs 300-1500 1.47E-02 4.24 0.00 13.7 0 0 0 0 4 Aaron Vandeputte GAVs -886 C/H/CdCsS C_rad/CbCs2 300-1500 6.98E-04 4.24 0.00 13.3 0 0 0 0 4 Aaron Vandeputte GAVs -887 C/H/CdCsS Cd_pri_rad 300-1500 1.31E-02 4.24 0.00 -2.4 0 0 0 0 4 Aaron Vandeputte GAVs -888 C/H/CdCsS Cd_rad/NonDeC 300-1500 1.30E-02 4.24 0.00 -1.6 0 0 0 0 4 Aaron Vandeputte GAVs -889 C/H/CdCsS Cd_rad/Cd 300-1500 6.18E-03 4.24 0.00 5.3 0 0 0 0 4 Aaron Vandeputte GAVs -890 C/H/CdCsS Cb_rad 300-1500 1.56E-02 4.24 0.00 -5.2 0 0 0 0 4 Aaron Vandeputte GAVs -891 C/H/CdCsS Cd_rad/Ct 300-1500 1.33E-03 4.24 0.00 2.5 0 0 0 0 4 Aaron Vandeputte GAVs -892 C/H/CdCsS C_rad/H2/S 300-1500 4.49E-03 4.24 0.00 7.5 0 0 0 0 4 Aaron Vandeputte GAVs -893 C/H/CdCsS C_rad/H/CsS 300-1500 8.02E-03 4.24 0.00 7.5 0 0 0 0 4 Aaron Vandeputte GAVs -894 C/H/CdCsS C_rad/Cs2S 300-1500 3.23E-03 4.24 0.00 7.3 0 0 0 0 4 Aaron Vandeputte GAVs -895 C/H/CdCsS Cd_rad/NonDeS 300-1500 2.68E-02 4.24 0.00 -0.3 0 0 0 0 4 Aaron Vandeputte GAVs -896 C/H/CdCsS C_rad/H/CdS 300-1500 4.43E-02 4.24 0.00 18.6 0 0 0 0 4 Aaron Vandeputte GAVs -897 C/H/CdCsS C_rad/CdCsS 300-1500 5.60E-03 4.24 0.00 18.6 0 0 0 0 4 Aaron Vandeputte GAVs -898 C/H/CdCsS C_rad/H/CtS 300-1500 2.63E-02 4.24 0.00 17.2 0 0 0 0 4 Aaron Vandeputte GAVs -899 C/H/CdCsS C_rad/CtCsS 300-1500 1.08E-01 4.24 0.00 17.9 0 0 0 0 4 Aaron Vandeputte GAVs -900 C/H2/CtS H_rad 300-1500 7.32E-01 4.24 0.00 0.9 0 0 0 0 4 Aaron Vandeputte GAVs -901 C/H2/CtS C_methyl 300-1500 2.12E-02 4.24 0.00 3.0 0 0 0 0 4 Aaron Vandeputte GAVs -902 C/H2/CtS C_rad/H2/Cs 300-1500 4.31E-03 4.24 0.00 4.4 0 0 0 0 4 Aaron Vandeputte GAVs -903 C/H2/CtS C_rad/H/NonDeC 300-1500 1.14E-02 4.24 0.00 5.3 0 0 0 0 4 Aaron Vandeputte GAVs -904 C/H2/CtS C_rad/Cs3 300-1500 5.98E-03 4.24 0.00 5.3 0 0 0 0 4 Aaron Vandeputte GAVs -905 C/H2/CtS C_rad/H2/Cd 300-1500 4.45E-02 4.24 0.00 15.8 0 0 0 0 4 Aaron Vandeputte GAVs -906 C/H2/CtS C_rad/H/CdCs 300-1500 3.51E-02 4.24 0.00 17.6 0 0 0 0 4 Aaron Vandeputte GAVs -907 C/H2/CtS C_rad/CdCs2 300-1500 9.58E-03 4.24 0.00 18.0 0 0 0 0 4 Aaron Vandeputte GAVs -908 C/H2/CtS C_rad/H/CdCd 300-1500 1.41E-01 4.24 0.00 25.8 0 0 0 0 4 Aaron Vandeputte GAVs -909 C/H2/CtS C_rad/CdCdCs 300-1500 1.25E-02 4.24 0.00 26.3 0 0 0 0 4 Aaron Vandeputte GAVs -910 C/H2/CtS C_rad/H2/Ct 300-1500 2.02E-02 4.24 0.00 12.0 0 0 0 0 4 Aaron Vandeputte GAVs -911 C/H2/CtS C_rad/H/CtCs 300-1500 8.41E-03 4.24 0.00 13.6 0 0 0 0 4 Aaron Vandeputte GAVs -912 C/H2/CtS C_rad/CtCs2 300-1500 5.97E-03 4.24 0.00 14.4 0 0 0 0 4 Aaron Vandeputte GAVs -913 C/H2/CtS C_rad/H/CtCt 300-1500 4.28E-02 4.24 0.00 20.1 0 0 0 0 4 Aaron Vandeputte GAVs -914 C/H2/CtS C_rad/CtCtCs 300-1500 2.11E-03 4.24 0.00 21.2 0 0 0 0 4 Aaron Vandeputte GAVs -915 C/H2/CtS C_rad/H2/Cb 300-1500 4.34E-02 4.24 0.00 13.7 0 0 0 0 4 Aaron Vandeputte GAVs -916 C/H2/CtS C_rad/H/CbCs 300-1500 2.23E-02 4.24 0.00 14.5 0 0 0 0 4 Aaron Vandeputte GAVs -917 C/H2/CtS C_rad/CbCs2 300-1500 1.06E-03 4.24 0.00 14.1 0 0 0 0 4 Aaron Vandeputte GAVs -918 C/H2/CtS Cd_pri_rad 300-1500 1.99E-02 4.24 0.00 -1.6 0 0 0 0 4 Aaron Vandeputte GAVs -919 C/H2/CtS Cd_rad/NonDeC 300-1500 1.97E-02 4.24 0.00 -0.7 0 0 0 0 4 Aaron Vandeputte GAVs -920 C/H2/CtS Cd_rad/Cd 300-1500 9.40E-03 4.24 0.00 6.1 0 0 0 0 4 Aaron Vandeputte GAVs -921 C/H2/CtS Cb_rad 300-1500 2.37E-02 4.24 0.00 -4.3 0 0 0 0 4 Aaron Vandeputte GAVs -922 C/H2/CtS Cd_rad/Ct 300-1500 2.02E-03 4.24 0.00 3.4 0 0 0 0 4 Aaron Vandeputte GAVs -923 C/H2/CtS C_rad/H2/S 300-1500 6.83E-03 4.24 0.00 8.3 0 0 0 0 4 Aaron Vandeputte GAVs -924 C/H2/CtS C_rad/H/CsS 300-1500 1.22E-02 4.24 0.00 8.3 0 0 0 0 4 Aaron Vandeputte GAVs -925 C/H2/CtS C_rad/Cs2S 300-1500 4.92E-03 4.24 0.00 8.1 0 0 0 0 4 Aaron Vandeputte GAVs -926 C/H2/CtS Cd_rad/NonDeS 300-1500 4.08E-02 4.24 0.00 0.6 0 0 0 0 4 Aaron Vandeputte GAVs -927 C/H2/CtS C_rad/H/CdS 300-1500 6.74E-02 4.24 0.00 19.5 0 0 0 0 4 Aaron Vandeputte GAVs -928 C/H2/CtS C_rad/CdCsS 300-1500 8.51E-03 4.24 0.00 19.5 0 0 0 0 4 Aaron Vandeputte GAVs -929 C/H2/CtS C_rad/H/CtS 300-1500 4.01E-02 4.24 0.00 18.0 0 0 0 0 4 Aaron Vandeputte GAVs -930 C/H2/CtS C_rad/CtCsS 300-1500 1.64E-01 4.24 0.00 18.8 0 0 0 0 4 Aaron Vandeputte GAVs -931 C/H/CtCsS H_rad 300-1500 7.39E-01 4.24 0.00 -0.6 0 0 0 0 4 Aaron Vandeputte GAVs -932 C/H/CtCsS C_methyl 300-1500 2.14E-02 4.24 0.00 1.5 0 0 0 0 4 Aaron Vandeputte GAVs -933 C/H/CtCsS C_rad/H2/Cs 300-1500 4.35E-03 4.24 0.00 2.9 0 0 0 0 4 Aaron Vandeputte GAVs -934 C/H/CtCsS C_rad/H/NonDeC 300-1500 1.15E-02 4.24 0.00 3.8 0 0 0 0 4 Aaron Vandeputte GAVs -935 C/H/CtCsS C_rad/Cs3 300-1500 6.04E-03 4.24 0.00 3.8 0 0 0 0 4 Aaron Vandeputte GAVs -936 C/H/CtCsS C_rad/H2/Cd 300-1500 4.49E-02 4.24 0.00 14.3 0 0 0 0 4 Aaron Vandeputte GAVs -937 C/H/CtCsS C_rad/H/CdCs 300-1500 3.54E-02 4.24 0.00 16.1 0 0 0 0 4 Aaron Vandeputte GAVs -938 C/H/CtCsS C_rad/CdCs2 300-1500 9.67E-03 4.24 0.00 16.6 0 0 0 0 4 Aaron Vandeputte GAVs -939 C/H/CtCsS C_rad/H/CdCd 300-1500 1.42E-01 4.24 0.00 24.4 0 0 0 0 4 Aaron Vandeputte GAVs -940 C/H/CtCsS C_rad/CdCdCs 300-1500 1.26E-02 4.24 0.00 24.8 0 0 0 0 4 Aaron Vandeputte GAVs -941 C/H/CtCsS C_rad/H2/Ct 300-1500 2.04E-02 4.24 0.00 10.5 0 0 0 0 4 Aaron Vandeputte GAVs -942 C/H/CtCsS C_rad/H/CtCs 300-1500 8.49E-03 4.24 0.00 12.1 0 0 0 0 4 Aaron Vandeputte GAVs -943 C/H/CtCsS C_rad/CtCs2 300-1500 6.02E-03 4.24 0.00 12.9 0 0 0 0 4 Aaron Vandeputte GAVs -944 C/H/CtCsS C_rad/H/CtCt 300-1500 4.32E-02 4.24 0.00 18.6 0 0 0 0 4 Aaron Vandeputte GAVs -945 C/H/CtCsS C_rad/CtCtCs 300-1500 2.13E-03 4.24 0.00 19.7 0 0 0 0 4 Aaron Vandeputte GAVs -946 C/H/CtCsS C_rad/H2/Cb 300-1500 4.38E-02 4.24 0.00 12.2 0 0 0 0 4 Aaron Vandeputte GAVs -947 C/H/CtCsS C_rad/H/CbCs 300-1500 2.25E-02 4.24 0.00 13.0 0 0 0 0 4 Aaron Vandeputte GAVs -948 C/H/CtCsS C_rad/CbCs2 300-1500 1.07E-03 4.24 0.00 12.6 0 0 0 0 4 Aaron Vandeputte GAVs -949 C/H/CtCsS Cd_pri_rad 300-1500 2.01E-02 4.24 0.00 -3.1 0 0 0 0 4 Aaron Vandeputte GAVs -950 C/H/CtCsS Cd_rad/NonDeC 300-1500 1.99E-02 4.24 0.00 -2.2 0 0 0 0 4 Aaron Vandeputte GAVs -951 C/H/CtCsS Cd_rad/Cd 300-1500 9.49E-03 4.24 0.00 4.6 0 0 0 0 4 Aaron Vandeputte GAVs -952 C/H/CtCsS Cb_rad 300-1500 2.39E-02 4.24 0.00 -5.8 0 0 0 0 4 Aaron Vandeputte GAVs -953 C/H/CtCsS Cd_rad/Ct 300-1500 2.04E-03 4.24 0.00 1.9 0 0 0 0 4 Aaron Vandeputte GAVs -954 C/H/CtCsS C_rad/H2/S 300-1500 6.89E-03 4.24 0.00 6.8 0 0 0 0 4 Aaron Vandeputte GAVs -955 C/H/CtCsS C_rad/H/CsS 300-1500 1.23E-02 4.24 0.00 6.8 0 0 0 0 4 Aaron Vandeputte GAVs -956 C/H/CtCsS C_rad/Cs2S 300-1500 4.97E-03 4.24 0.00 6.6 0 0 0 0 4 Aaron Vandeputte GAVs -957 C/H/CtCsS Cd_rad/NonDeS 300-1500 4.12E-02 4.24 0.00 -0.9 0 0 0 0 4 Aaron Vandeputte GAVs -958 C/H/CtCsS C_rad/H/CdS 300-1500 6.80E-02 4.24 0.00 18.0 0 0 0 0 4 Aaron Vandeputte GAVs -959 C/H/CtCsS C_rad/CdCsS 300-1500 8.59E-03 4.24 0.00 18.0 0 0 0 0 4 Aaron Vandeputte GAVs -960 C/H/CtCsS C_rad/CtCsS 300-1500 4.04E-02 4.24 0.00 16.5 0 0 0 0 4 Aaron Vandeputte GAVs -961 C/H/CtCsS C_rad/CtCsS 300-1500 1.65E-01 4.24 0.00 17.3 0 0 0 0 4 Aaron Vandeputte GAVs -962 S_pri H_rad 300-1500 1.16E+04 2.98 0.00 -0.2 0 0 0 0 4 Aaron Vandeputte GAVs -963 S_pri C_methyl 300-1500 2.08E+02 2.98 0.00 0.7 0 0 0 0 4 Aaron Vandeputte GAVs -964 S_pri C_rad/H2/Cs 300-1500 3.22E+01 2.98 0.00 -0.2 0 0 0 0 4 Aaron Vandeputte GAVs -965 S_pri C_rad/H/NonDeC 300-1500 3.92E+01 2.98 0.00 -1.2 0 0 0 0 4 Aaron Vandeputte GAVs -966 S_pri C_rad/Cs3 300-1500 8.74E+01 2.98 0.00 -2.8 0 0 0 0 4 Aaron Vandeputte GAVs -967 S_pri Cd_pri_rad 300-1500 5.50E+02 2.98 0.00 -1.7 0 0 0 0 4 Aaron Vandeputte GAVs -968 S_pri Cd_rad/NonDeC 300-1500 2.91E+02 2.98 0.00 -2.7 0 0 0 0 4 Aaron Vandeputte GAVs -969 S_pri Cd_rad/Cd 300-1500 1.95E+02 2.98 0.00 2.4 0 0 0 0 4 Aaron Vandeputte GAVs -970 S_pri Cd_rad/Ct 300-1500 3.08E+01 2.98 0.00 -0.2 0 0 0 0 4 Aaron Vandeputte GAVs -971 S_pri C_rad/H2/Cd 300-1500 1.43E+02 2.98 0.00 6.0 0 0 0 0 4 Aaron Vandeputte GAVs -972 S_pri C_rad/H/CdCs 300-1500 1.14E+02 2.98 0.00 6.1 0 0 0 0 4 Aaron Vandeputte GAVs -973 S_pri C_rad/CdCs2 300-1500 2.10E+01 2.98 0.00 5.5 0 0 0 0 4 Aaron Vandeputte GAVs -974 S_pri C_rad/H/CdCd 300-1500 2.35E+02 2.98 0.00 13.0 0 0 0 0 4 Aaron Vandeputte GAVs -975 S_pri C_rad/CdCdCs 300-1500 1.25E+01 2.98 0.00 13.1 0 0 0 0 4 Aaron Vandeputte GAVs -976 S_pri C_rad/H2/Ct 300-1500 1.24E+02 2.98 0.00 4.5 0 0 0 0 4 Aaron Vandeputte GAVs -977 S_pri C_rad/H/CtCs 300-1500 3.93E+01 2.98 0.00 4.1 0 0 0 0 4 Aaron Vandeputte GAVs -978 S_pri C_rad/CtCs2 300-1500 1.37E+01 2.98 0.00 3.5 0 0 0 0 4 Aaron Vandeputte GAVs -979 S_pri C_rad/H/CtCt 300-1500 9.86E+01 2.98 0.00 9.7 0 0 0 0 4 Aaron Vandeputte GAVs -980 S_pri C_rad/CtCtCs 300-1500 2.75E+00 2.98 0.00 9.9 0 0 0 0 4 Aaron Vandeputte GAVs -981 S_pri Cb_rad 300-1500 3.83E+02 2.98 0.00 -3.2 0 0 0 0 4 Aaron Vandeputte GAVs -982 S_pri C_rad/H2/Cb 300-1500 8.91E+01 2.98 0.00 3.2 0 0 0 0 4 Aaron Vandeputte GAVs -983 S_pri C_rad/H/CbCs 300-1500 3.35E+01 2.98 0.00 2.8 0 0 0 0 4 Aaron Vandeputte GAVs -984 S_pri C_rad/CbCs2 300-1500 2.33E+00 2.98 0.00 1.9 0 0 0 0 4 Aaron Vandeputte GAVs -985 S_pri C_rad/H2/S 300-1500 2.83E+01 2.98 0.00 1.0 0 0 0 0 4 Aaron Vandeputte GAVs -986 S_pri C_rad/H/CsS 300-1500 6.67E+01 2.98 0.00 -0.3 0 0 0 0 4 Aaron Vandeputte GAVs -987 S_pri C_rad/Cs2S 300-1500 1.63E+01 2.98 0.00 -1.4 0 0 0 0 4 Aaron Vandeputte GAVs -988 S_pri Cd_rad/NonDeS 300-1500 7.76E+03 2.98 0.00 -1.3 0 0 0 0 4 Aaron Vandeputte GAVs -989 S_pri C_rad/H/CdS 300-1500 1.24E+02 2.98 0.00 8.0 0 0 0 0 4 Aaron Vandeputte GAVs -990 S_pri C_rad/CdCsS 300-1500 2.26E+01 2.98 0.00 7.5 0 0 0 0 4 Aaron Vandeputte GAVs -991 S_pri C_rad/H/CtS 300-1500 8.09E+01 2.98 0.00 7.2 0 0 0 0 4 Aaron Vandeputte GAVs -992 S_pri C_rad/CtCsS 300-1500 3.81E+02 2.98 0.00 7.3 0 0 0 0 4 Aaron Vandeputte GAVs -993 S/H/NonDeC H_rad 300-1500 3.22E+04 2.98 0.00 -0.5 0 0 0 0 4 Aaron Vandeputte GAVs -994 S/H/NonDeC C_methyl 300-1500 5.79E+02 2.98 0.00 0.4 0 0 0 0 4 Aaron Vandeputte GAVs -995 S/H/NonDeC C_rad/H2/Cs 300-1500 8.99E+01 2.98 0.00 -0.6 0 0 0 0 4 Aaron Vandeputte GAVs -996 S/H/NonDeC C_rad/H/NonDeC 300-1500 1.09E+02 2.98 0.00 -1.5 0 0 0 0 4 Aaron Vandeputte GAVs -997 S/H/NonDeC C_rad/Cs3 300-1500 2.44E+02 2.98 0.00 -3.1 0 0 0 0 4 Aaron Vandeputte GAVs -998 S/H/NonDeC Cd_pri_rad 300-1500 1.53E+03 2.98 0.00 -2.0 0 0 0 0 4 Aaron Vandeputte GAVs -999 S/H/NonDeC Cd_rad/NonDeC 300-1500 8.10E+02 2.98 0.00 -3.0 0 0 0 0 4 Aaron Vandeputte GAVs -1000 S/H/NonDeC Cd_rad/Cd 300-1500 5.45E+02 2.98 0.00 2.1 0 0 0 0 4 Aaron Vandeputte GAVs -1001 S/H/NonDeC Cd_rad/Ct 300-1500 8.60E+01 2.98 0.00 -0.5 0 0 0 0 4 Aaron Vandeputte GAVs -1002 S/H/NonDeC C_rad/H2/Cd 300-1500 4.00E+02 2.98 0.00 5.7 0 0 0 0 4 Aaron Vandeputte GAVs -1003 S/H/NonDeC C_rad/H/CdCs 300-1500 3.17E+02 2.98 0.00 5.8 0 0 0 0 4 Aaron Vandeputte GAVs -1004 S/H/NonDeC C_rad/CdCs2 300-1500 5.86E+01 2.98 0.00 5.2 0 0 0 0 4 Aaron Vandeputte GAVs -1005 S/H/NonDeC C_rad/H/CdCd 300-1500 6.55E+02 2.98 0.00 12.7 0 0 0 0 4 Aaron Vandeputte GAVs -1006 S/H/NonDeC C_rad/CdCdCs 300-1500 3.48E+01 2.98 0.00 12.8 0 0 0 0 4 Aaron Vandeputte GAVs -1007 S/H/NonDeC C_rad/H2/Ct 300-1500 3.46E+02 2.98 0.00 4.2 0 0 0 0 4 Aaron Vandeputte GAVs -1008 S/H/NonDeC C_rad/H/CtCs 300-1500 1.10E+02 2.98 0.00 3.8 0 0 0 0 4 Aaron Vandeputte GAVs -1009 S/H/NonDeC C_rad/CtCs2 300-1500 3.81E+01 2.98 0.00 3.2 0 0 0 0 4 Aaron Vandeputte GAVs -1010 S/H/NonDeC C_rad/H/CtCt 300-1500 2.75E+02 2.98 0.00 9.4 0 0 0 0 4 Aaron Vandeputte GAVs -1011 S/H/NonDeC C_rad/CtCtCs 300-1500 7.66E+00 2.98 0.00 9.6 0 0 0 0 4 Aaron Vandeputte GAVs -1012 S/H/NonDeC Cb_rad 300-1500 1.07E+03 2.98 0.00 -3.5 0 0 0 0 4 Aaron Vandeputte GAVs -1013 S/H/NonDeC C_rad/H2/Cb 300-1500 2.49E+02 2.98 0.00 2.9 0 0 0 0 4 Aaron Vandeputte GAVs -1014 S/H/NonDeC C_rad/H/CbCs 300-1500 9.35E+01 2.98 0.00 2.5 0 0 0 0 4 Aaron Vandeputte GAVs -1015 S/H/NonDeC C_rad/CbCs2 300-1500 6.51E+00 2.98 0.00 1.6 0 0 0 0 4 Aaron Vandeputte GAVs -1016 S/H/NonDeC C_rad/H2/S 300-1500 7.90E+01 2.98 0.00 0.7 0 0 0 0 4 Aaron Vandeputte GAVs -1017 S/H/NonDeC C_rad/H/CsS 300-1500 1.86E+02 2.98 0.00 -0.6 0 0 0 0 4 Aaron Vandeputte GAVs -1018 S/H/NonDeC C_rad/Cs2S 300-1500 4.56E+01 2.98 0.00 -1.7 0 0 0 0 4 Aaron Vandeputte GAVs -1019 S/H/NonDeC Cd_rad/NonDeS 300-1500 2.16E+04 2.98 0.00 -1.6 0 0 0 0 4 Aaron Vandeputte GAVs -1020 S/H/NonDeC C_rad/H/CdS 300-1500 3.44E+02 2.98 0.00 7.7 0 0 0 0 4 Aaron Vandeputte GAVs -1021 S/H/NonDeC C_rad/CdCsS 300-1500 6.30E+01 2.98 0.00 7.2 0 0 0 0 4 Aaron Vandeputte GAVs -1022 S/H/NonDeC C_rad/H/CtS 300-1500 2.26E+02 2.98 0.00 6.9 0 0 0 0 4 Aaron Vandeputte GAVs -1023 S/H/NonDeC C_rad/CtCsS 300-1500 1.06E+03 2.98 0.00 7.0 0 0 0 0 4 Aaron Vandeputte GAVs -1024 S/H/Cd H_rad 300-1500 4.42E+04 2.98 0.00 -1.2 0 0 0 0 4 Aaron Vandeputte GAVs -1025 S/H/Cd C_methyl 300-1500 7.95E+02 2.98 0.00 -0.2 0 0 0 0 4 Aaron Vandeputte GAVs -1026 S/H/Cd C_rad/H2/Cs 300-1500 1.23E+02 2.98 0.00 -1.2 0 0 0 0 4 Aaron Vandeputte GAVs -1027 S/H/Cd C_rad/H/NonDeC 300-1500 1.50E+02 2.98 0.00 -2.1 0 0 0 0 4 Aaron Vandeputte GAVs -1028 S/H/Cd C_rad/Cs3 300-1500 3.34E+02 2.98 0.00 -3.8 0 0 0 0 4 Aaron Vandeputte GAVs -1029 S/H/Cd Cd_pri_rad 300-1500 2.10E+03 2.98 0.00 -2.6 0 0 0 0 4 Aaron Vandeputte GAVs -1030 S/H/Cd Cd_rad/NonDeC 300-1500 1.11E+03 2.98 0.00 -3.7 0 0 0 0 4 Aaron Vandeputte GAVs -1031 S/H/Cd Cd_rad/Cd 300-1500 7.47E+02 2.98 0.00 1.5 0 0 0 0 4 Aaron Vandeputte GAVs -1032 S/H/Cd Cd_rad/Ct 300-1500 1.18E+02 2.98 0.00 -1.2 0 0 0 0 4 Aaron Vandeputte GAVs -1033 S/H/Cd C_rad/H2/Cd 300-1500 5.49E+02 2.98 0.00 5.1 0 0 0 0 4 Aaron Vandeputte GAVs -1034 S/H/Cd C_rad/H/CdCs 300-1500 4.35E+02 2.98 0.00 5.2 0 0 0 0 4 Aaron Vandeputte GAVs -1035 S/H/Cd C_rad/CdCs2 300-1500 8.04E+01 2.98 0.00 4.6 0 0 0 0 4 Aaron Vandeputte GAVs -1036 S/H/Cd C_rad/H/CdCd 300-1500 8.98E+02 2.98 0.00 12.1 0 0 0 0 4 Aaron Vandeputte GAVs -1037 S/H/Cd C_rad/CdCdCs 300-1500 4.77E+01 2.98 0.00 12.1 0 0 0 0 4 Aaron Vandeputte GAVs -1038 S/H/Cd C_rad/H2/Ct 300-1500 4.75E+02 2.98 0.00 3.5 0 0 0 0 4 Aaron Vandeputte GAVs -1039 S/H/Cd C_rad/H/CtCs 300-1500 1.50E+02 2.98 0.00 3.2 0 0 0 0 4 Aaron Vandeputte GAVs -1040 S/H/Cd C_rad/CtCs2 300-1500 5.22E+01 2.98 0.00 2.6 0 0 0 0 4 Aaron Vandeputte GAVs -1041 S/H/Cd C_rad/H/CtCt 300-1500 3.77E+02 2.98 0.00 8.8 0 0 0 0 4 Aaron Vandeputte GAVs -1042 S/H/Cd C_rad/CtCtCs 300-1500 1.05E+01 2.98 0.00 8.9 0 0 0 0 4 Aaron Vandeputte GAVs -1043 S/H/Cd Cb_rad 300-1500 1.46E+03 2.98 0.00 -4.1 0 0 0 0 4 Aaron Vandeputte GAVs -1044 S/H/Cd C_rad/H2/Cb 300-1500 3.41E+02 2.98 0.00 2.3 0 0 0 0 4 Aaron Vandeputte GAVs -1045 S/H/Cd C_rad/H/CbCs 300-1500 1.28E+02 2.98 0.00 1.9 0 0 0 0 4 Aaron Vandeputte GAVs -1046 S/H/Cd C_rad/CbCs2 300-1500 8.93E+00 2.98 0.00 1.0 0 0 0 0 4 Aaron Vandeputte GAVs -1047 S/H/Cd C_rad/H2/S 300-1500 1.08E+02 2.98 0.00 0.0 0 0 0 0 4 Aaron Vandeputte GAVs -1048 S/H/Cd C_rad/H/CsS 300-1500 2.55E+02 2.98 0.00 -1.2 0 0 0 0 4 Aaron Vandeputte GAVs -1049 S/H/Cd C_rad/Cs2S 300-1500 6.25E+01 2.98 0.00 -2.3 0 0 0 0 4 Aaron Vandeputte GAVs -1050 S/H/Cd Cd_rad/NonDeS 300-1500 2.97E+04 2.98 0.00 -2.2 0 0 0 0 4 Aaron Vandeputte GAVs -1051 S/H/Cd C_rad/H/CdS 300-1500 4.72E+02 2.98 0.00 7.1 0 0 0 0 4 Aaron Vandeputte GAVs -1052 S/H/Cd C_rad/CdCsS 300-1500 8.64E+01 2.98 0.00 6.5 0 0 0 0 4 Aaron Vandeputte GAVs -1053 S/H/Cd C_rad/H/CtS 300-1500 3.09E+02 2.98 0.00 6.3 0 0 0 0 4 Aaron Vandeputte GAVs -1054 S/H/Cd C_rad/CtCsS 300-1500 1.46E+03 2.98 0.00 6.3 0 0 0 0 4 Aaron Vandeputte GAVs -1055 S/H/Ct H_rad 300-1500 4.48E+04 2.98 0.00 -2.7 0 0 0 0 4 Aaron Vandeputte GAVs -1056 S/H/Ct C_methyl 300-1500 8.06E+02 2.98 0.00 -1.7 0 0 0 0 4 Aaron Vandeputte GAVs -1057 S/H/Ct C_rad/H2/Cs 300-1500 1.25E+02 2.98 0.00 -2.7 0 0 0 0 4 Aaron Vandeputte GAVs -1058 S/H/Ct C_rad/H/NonDeC 300-1500 1.52E+02 2.98 0.00 -3.6 0 0 0 0 4 Aaron Vandeputte GAVs -1059 S/H/Ct C_rad/Cs3 300-1500 3.39E+02 2.98 0.00 -5.2 0 0 0 0 4 Aaron Vandeputte GAVs -1060 S/H/Ct Cd_pri_rad 300-1500 2.13E+03 2.98 0.00 -4.1 0 0 0 0 4 Aaron Vandeputte GAVs -1061 S/H/Ct Cd_rad/NonDeC 300-1500 1.13E+03 2.98 0.00 -5.1 0 0 0 0 4 Aaron Vandeputte GAVs -1062 S/H/Ct Cd_rad/Cd 300-1500 7.58E+02 2.98 0.00 0.0 0 0 0 0 4 Aaron Vandeputte GAVs -1063 S/H/Ct Cd_rad/Ct 300-1500 1.20E+02 2.98 0.00 -2.7 0 0 0 0 4 Aaron Vandeputte GAVs -1064 S/H/Ct C_rad/H2/Cd 300-1500 5.57E+02 2.98 0.00 3.6 0 0 0 0 4 Aaron Vandeputte GAVs -1065 S/H/Ct C_rad/H/CdCs 300-1500 4.41E+02 2.98 0.00 3.7 0 0 0 0 4 Aaron Vandeputte GAVs -1066 S/H/Ct C_rad/CdCs2 300-1500 8.15E+01 2.98 0.00 3.1 0 0 0 0 4 Aaron Vandeputte GAVs -1067 S/H/Ct C_rad/H/CdCd 300-1500 9.11E+02 2.98 0.00 10.6 0 0 0 0 4 Aaron Vandeputte GAVs -1068 S/H/Ct C_rad/CdCdCs 300-1500 4.84E+01 2.98 0.00 10.6 0 0 0 0 4 Aaron Vandeputte GAVs -1069 S/H/Ct C_rad/H2/Ct 300-1500 4.82E+02 2.98 0.00 2.0 0 0 0 0 4 Aaron Vandeputte GAVs -1070 S/H/Ct C_rad/H/CtCs 300-1500 1.53E+02 2.98 0.00 1.7 0 0 0 0 4 Aaron Vandeputte GAVs -1071 S/H/Ct C_rad/CtCs2 300-1500 5.30E+01 2.98 0.00 1.1 0 0 0 0 4 Aaron Vandeputte GAVs -1072 S/H/Ct C_rad/H/CtCt 300-1500 3.82E+02 2.98 0.00 7.3 0 0 0 0 4 Aaron Vandeputte GAVs -1073 S/H/Ct C_rad/CtCtCs 300-1500 1.07E+01 2.98 0.00 7.5 0 0 0 0 4 Aaron Vandeputte GAVs -1074 S/H/Ct Cb_rad 300-1500 1.49E+03 2.98 0.00 -5.6 0 0 0 0 4 Aaron Vandeputte GAVs -1075 S/H/Ct C_rad/H2/Cb 300-1500 3.46E+02 2.98 0.00 0.8 0 0 0 0 4 Aaron Vandeputte GAVs -1076 S/H/Ct C_rad/H/CbCs 300-1500 1.30E+02 2.98 0.00 0.4 0 0 0 0 4 Aaron Vandeputte GAVs -1077 S/H/Ct C_rad/CbCs2 300-1500 9.05E+00 2.98 0.00 -0.5 0 0 0 0 4 Aaron Vandeputte GAVs -1078 S/H/Ct C_rad/H2/S 300-1500 1.10E+02 2.98 0.00 -1.5 0 0 0 0 4 Aaron Vandeputte GAVs -1079 S/H/Ct C_rad/H/CsS 300-1500 2.59E+02 2.98 0.00 -2.7 0 0 0 0 4 Aaron Vandeputte GAVs -1080 S/H/Ct C_rad/Cs2S 300-1500 6.34E+01 2.98 0.00 -3.8 0 0 0 0 4 Aaron Vandeputte GAVs -1081 S/H/Ct Cd_rad/NonDeS 300-1500 3.01E+04 2.98 0.00 -3.7 0 0 0 0 4 Aaron Vandeputte GAVs -1082 S/H/Ct C_rad/H/CdS 300-1500 4.79E+02 2.98 0.00 5.6 0 0 0 0 4 Aaron Vandeputte GAVs -1083 S/H/Ct C_rad/CdCsS 300-1500 8.76E+01 2.98 0.00 5.1 0 0 0 0 4 Aaron Vandeputte GAVs -1084 S/H/Ct C_rad/H/CtS 300-1500 3.14E+02 2.98 0.00 4.8 0 0 0 0 4 Aaron Vandeputte GAVs -1085 S/H/Ct C_rad/CtCsS 300-1500 1.48E+03 2.98 0.00 4.9 0 0 0 0 4 Aaron Vandeputte GAVs -1086 S/H/Cb H_rad 300-1500 3.64E+03 2.98 0.00 -1.7 0 0 0 0 4 Aaron Vandeputte GAVs -1087 S/H/Cb C_methyl 300-1500 6.54E+01 2.98 0.00 -0.7 0 0 0 0 4 Aaron Vandeputte GAVs -1088 S/H/Cb C_rad/H2/Cs 300-1500 1.01E+01 2.98 0.00 -1.7 0 0 0 0 4 Aaron Vandeputte GAVs -1089 S/H/Cb C_rad/H/NonDeC 300-1500 1.24E+01 2.98 0.00 -2.6 0 0 0 0 4 Aaron Vandeputte GAVs -1090 S/H/Cb C_rad/Cs3 300-1500 2.75E+01 2.98 0.00 -4.2 0 0 0 0 4 Aaron Vandeputte GAVs -1091 S/H/Cb Cd_pri_rad 300-1500 1.73E+02 2.98 0.00 -3.1 0 0 0 0 4 Aaron Vandeputte GAVs -1092 S/H/Cb Cd_rad/NonDeC 300-1500 9.15E+01 2.98 0.00 -4.1 0 0 0 0 4 Aaron Vandeputte GAVs -1093 S/H/Cb Cd_rad/Cd 300-1500 6.15E+01 2.98 0.00 1.0 0 0 0 0 4 Aaron Vandeputte GAVs -1094 S/H/Cb Cd_rad/Ct 300-1500 9.71E+00 2.98 0.00 -1.6 0 0 0 0 4 Aaron Vandeputte GAVs -1095 S/H/Cb C_rad/H2/Cd 300-1500 4.52E+01 2.98 0.00 4.6 0 0 0 0 4 Aaron Vandeputte GAVs -1096 S/H/Cb C_rad/H/CdCs 300-1500 3.58E+01 2.98 0.00 4.7 0 0 0 0 4 Aaron Vandeputte GAVs -1097 S/H/Cb C_rad/CdCs2 300-1500 6.62E+00 2.98 0.00 4.1 0 0 0 0 4 Aaron Vandeputte GAVs -1098 S/H/Cb C_rad/H/CdCd 300-1500 7.40E+01 2.98 0.00 11.6 0 0 0 0 4 Aaron Vandeputte GAVs -1099 S/H/Cb C_rad/CdCdCs 300-1500 3.93E+00 2.98 0.00 11.6 0 0 0 0 4 Aaron Vandeputte GAVs -1100 S/H/Cb C_rad/H2/Ct 300-1500 3.91E+01 2.98 0.00 3.0 0 0 0 0 4 Aaron Vandeputte GAVs -1101 S/H/Cb C_rad/H/CtCs 300-1500 1.24E+01 2.98 0.00 2.7 0 0 0 0 4 Aaron Vandeputte GAVs -1102 S/H/Cb C_rad/CtCs2 300-1500 4.30E+00 2.98 0.00 2.1 0 0 0 0 4 Aaron Vandeputte GAVs -1103 S/H/Cb C_rad/H/CtCt 300-1500 3.10E+01 2.98 0.00 8.3 0 0 0 0 4 Aaron Vandeputte GAVs -1104 S/H/Cb C_rad/CtCtCs 300-1500 8.65E-01 2.98 0.00 8.5 0 0 0 0 4 Aaron Vandeputte GAVs -1105 S/H/Cb Cb_rad 300-1500 1.21E+02 2.98 0.00 -4.6 0 0 0 0 4 Aaron Vandeputte GAVs -1106 S/H/Cb C_rad/H2/Cb 300-1500 2.81E+01 2.98 0.00 1.8 0 0 0 0 4 Aaron Vandeputte GAVs -1107 S/H/Cb C_rad/H/CbCs 300-1500 1.06E+01 2.98 0.00 1.4 0 0 0 0 4 Aaron Vandeputte GAVs -1108 S/H/Cb C_rad/CbCs2 300-1500 7.35E-01 2.98 0.00 0.5 0 0 0 0 4 Aaron Vandeputte GAVs -1109 S/H/Cb C_rad/H2/S 300-1500 8.92E+00 2.98 0.00 -0.4 0 0 0 0 4 Aaron Vandeputte GAVs -1110 S/H/Cb C_rad/H/CsS 300-1500 2.10E+01 2.98 0.00 -1.7 0 0 0 0 4 Aaron Vandeputte GAVs -1111 S/H/Cb C_rad/Cs2S 300-1500 5.15E+00 2.98 0.00 -2.8 0 0 0 0 4 Aaron Vandeputte GAVs -1112 S/H/Cb Cd_rad/NonDeS 300-1500 2.44E+03 2.98 0.00 -2.7 0 0 0 0 4 Aaron Vandeputte GAVs -1113 S/H/Cb C_rad/H/CdS 300-1500 3.89E+01 2.98 0.00 6.6 0 0 0 0 4 Aaron Vandeputte GAVs -1114 S/H/Cb C_rad/CdCsS 300-1500 7.11E+00 2.98 0.00 6.1 0 0 0 0 4 Aaron Vandeputte GAVs -1115 S/H/Cb C_rad/H/CtS 300-1500 2.55E+01 2.98 0.00 5.8 0 0 0 0 4 Aaron Vandeputte GAVs -1116 S/H/Cb C_rad/CtCsS 300-1500 1.20E+02 2.98 0.00 5.9 0 0 0 0 4 Aaron Vandeputte GAVs -1117 S/H/NonDeS H_rad 300-1500 4.83E+04 2.98 0.00 -2.5 0 0 0 0 4 Aaron Vandeputte GAVs -1118 S/H/NonDeS C_methyl 300-1500 8.69E+02 2.98 0.00 -1.6 0 0 0 0 4 Aaron Vandeputte GAVs -1119 S/H/NonDeS C_rad/H2/Cs 300-1500 1.35E+02 2.98 0.00 -2.6 0 0 0 0 4 Aaron Vandeputte GAVs -1120 S/H/NonDeS C_rad/H/NonDeC 300-1500 1.64E+02 2.98 0.00 -3.5 0 0 0 0 4 Aaron Vandeputte GAVs -1121 S/H/NonDeS C_rad/Cs3 300-1500 3.65E+02 2.98 0.00 -5.1 0 0 0 0 4 Aaron Vandeputte GAVs -1122 S/H/NonDeS Cd_pri_rad 300-1500 2.30E+03 2.98 0.00 -4.0 0 0 0 0 4 Aaron Vandeputte GAVs -1123 S/H/NonDeS Cd_rad/NonDeC 300-1500 1.21E+03 2.98 0.00 -5.0 0 0 0 0 4 Aaron Vandeputte GAVs -1124 S/H/NonDeS Cd_rad/Cd 300-1500 8.17E+02 2.98 0.00 0.1 0 0 0 0 4 Aaron Vandeputte GAVs -1125 S/H/NonDeS Cd_rad/Ct 300-1500 1.29E+02 2.98 0.00 -2.5 0 0 0 0 4 Aaron Vandeputte GAVs -1126 S/H/NonDeS C_rad/H2/Cd 300-1500 6.00E+02 2.98 0.00 3.7 0 0 0 0 4 Aaron Vandeputte GAVs -1127 S/H/NonDeS C_rad/H/CdCs 300-1500 4.75E+02 2.98 0.00 3.8 0 0 0 0 4 Aaron Vandeputte GAVs -1128 S/H/NonDeS C_rad/CdCs2 300-1500 8.79E+01 2.98 0.00 3.2 0 0 0 0 4 Aaron Vandeputte GAVs -1129 S/H/NonDeS C_rad/H/CdCd 300-1500 9.82E+02 2.98 0.00 10.7 0 0 0 0 4 Aaron Vandeputte GAVs -1130 S/H/NonDeS C_rad/CdCdCs 300-1500 5.22E+01 2.98 0.00 10.8 0 0 0 0 4 Aaron Vandeputte GAVs -1131 S/H/NonDeS C_rad/H2/Ct 300-1500 5.19E+02 2.98 0.00 2.1 0 0 0 0 4 Aaron Vandeputte GAVs -1132 S/H/NonDeS C_rad/H/CtCs 300-1500 1.64E+02 2.98 0.00 1.8 0 0 0 0 4 Aaron Vandeputte GAVs -1133 S/H/NonDeS C_rad/CtCs2 300-1500 5.71E+01 2.98 0.00 1.2 0 0 0 0 4 Aaron Vandeputte GAVs -1134 S/H/NonDeS C_rad/H/CtCt 300-1500 4.12E+02 2.98 0.00 7.4 0 0 0 0 4 Aaron Vandeputte GAVs -1135 S/H/NonDeS C_rad/CtCtCs 300-1500 1.15E+01 2.98 0.00 7.6 0 0 0 0 4 Aaron Vandeputte GAVs -1136 S/H/NonDeS Cb_rad 300-1500 1.60E+03 2.98 0.00 -5.5 0 0 0 0 4 Aaron Vandeputte GAVs -1137 S/H/NonDeS C_rad/H2/Cb 300-1500 3.73E+02 2.98 0.00 0.9 0 0 0 0 4 Aaron Vandeputte GAVs -1138 S/H/NonDeS C_rad/H/CbCs 300-1500 1.40E+02 2.98 0.00 0.5 0 0 0 0 4 Aaron Vandeputte GAVs -1139 S/H/NonDeS C_rad/CbCs2 300-1500 9.76E+00 2.98 0.00 -0.4 0 0 0 0 4 Aaron Vandeputte GAVs -1140 S/H/NonDeS C_rad/H2/S 300-1500 1.18E+02 2.98 0.00 -1.3 0 0 0 0 4 Aaron Vandeputte GAVs -1141 S/H/NonDeS C_rad/H/CsS 300-1500 2.79E+02 2.98 0.00 -2.6 0 0 0 0 4 Aaron Vandeputte GAVs -1142 S/H/NonDeS C_rad/Cs2S 300-1500 6.83E+01 2.98 0.00 -3.7 0 0 0 0 4 Aaron Vandeputte GAVs -1143 S/H/NonDeS Cd_rad/NonDeS 300-1500 3.24E+04 2.98 0.00 -3.6 0 0 0 0 4 Aaron Vandeputte GAVs -1144 S/H/NonDeS C_rad/H/CdS 300-1500 5.17E+02 2.98 0.00 5.7 0 0 0 0 4 Aaron Vandeputte GAVs -1145 S/H/NonDeS C_rad/CdCsS 300-1500 9.44E+01 2.98 0.00 5.2 0 0 0 0 4 Aaron Vandeputte GAVs -1146 S/H/NonDeS C_rad/H/CtS 300-1500 3.38E+02 2.98 0.00 4.9 0 0 0 0 4 Aaron Vandeputte GAVs -1147 S/H/NonDeS C_rad/CtCsS 300-1500 1.59E+03 2.98 0.00 5.0 0 0 0 0 4 Aaron Vandeputte GAVs - -1148 S_pri S_pri_rad 300-1500 1.53E+03 3.17 0.00 2.1 0 0 0 0 4 Aaron Vandeputte GAVs -1149 S_pri S_rad/NonDeC 300-1500 7.90E+02 3.17 0.00 4.4 0 0 0 0 4 Aaron Vandeputte GAVs -1150 S_pri S_rad/Cd 300-1500 3.12E+02 3.17 0.00 0.3 0 0 0 0 4 Aaron Vandeputte GAVs -1151 S_pri S_rad/Ct 300-1500 9.01E+02 3.17 0.00 12.4 0 0 0 0 4 Aaron Vandeputte GAVs -1152 S_pri S_rad/Cb 300-1500 2.27E+02 3.17 0.00 2.5 0 0 0 0 4 Aaron Vandeputte GAVs -1153 S_pri S_rad/NonDeS 300-1500 1.64E+02 3.17 0.00 3.3 0 0 0 0 4 Aaron Vandeputte GAVs -1154 S/H/NonDeC S_pri_rad 300-1500 1.49E+03 3.17 0.00 -0.5 0 0 0 0 4 Aaron Vandeputte GAVs -1155 S/H/NonDeC S_rad/NonDeC 300-1500 7.68E+02 3.17 0.00 1.8 0 0 0 0 4 Aaron Vandeputte GAVs -1156 S/H/NonDeC S_rad/Cd 300-1500 3.04E+02 3.17 0.00 -2.3 0 0 0 0 4 Aaron Vandeputte GAVs -1157 S/H/NonDeC S_rad/Ct 300-1500 8.76E+02 3.17 0.00 9.8 0 0 0 0 4 Aaron Vandeputte GAVs -1158 S/H/NonDeC S_rad/Cb 300-1500 2.20E+02 3.17 0.00 -0.1 0 0 0 0 4 Aaron Vandeputte GAVs -1159 S/H/NonDeC S_rad/NonDeS 300-1500 1.59E+02 3.17 0.00 0.6 0 0 0 0 4 Aaron Vandeputte GAVs -1160 S/H/Cd S_pri_rad 300-1500 1.56E+03 3.17 0.00 -3.0 0 0 0 0 4 Aaron Vandeputte GAVs -1161 S/H/Cd S_rad/NonDeC 300-1500 8.01E+02 3.17 0.00 -0.7 0 0 0 0 4 Aaron Vandeputte GAVs -1162 S/H/Cd S_rad/Cd 300-1500 3.17E+02 3.17 0.00 -4.8 0 0 0 0 4 Aaron Vandeputte GAVs -1163 S/H/Cd S_rad/Ct 300-1500 9.14E+02 3.17 0.00 7.3 0 0 0 0 4 Aaron Vandeputte GAVs -1164 S/H/Cd S_rad/Cb 300-1500 2.30E+02 3.17 0.00 -2.6 0 0 0 0 4 Aaron Vandeputte GAVs -1165 S/H/Cd S_rad/NonDeS 300-1500 1.66E+02 3.17 0.00 -1.8 0 0 0 0 4 Aaron Vandeputte GAVs -1166 S/H/Ct S_pri_rad 300-1500 5.95E+02 3.17 0.00 -3.2 0 0 0 0 4 Aaron Vandeputte GAVs -1167 S/H/Ct S_rad/NonDeC 300-1500 3.06E+02 3.17 0.00 -0.9 0 0 0 0 4 Aaron Vandeputte GAVs -1168 S/H/Ct S_rad/Cd 300-1500 1.21E+02 3.17 0.00 -5.0 0 0 0 0 4 Aaron Vandeputte GAVs -1169 S/H/Ct S_rad/Ct 300-1500 3.49E+02 3.17 0.00 7.1 0 0 0 0 4 Aaron Vandeputte GAVs -1170 S/H/Ct S_rad/Cb 300-1500 8.78E+01 3.17 0.00 -2.9 0 0 0 0 4 Aaron Vandeputte GAVs -1171 S/H/Ct S_rad/NonDeS 300-1500 6.35E+01 3.17 0.00 -2.1 0 0 0 0 4 Aaron Vandeputte GAVs -1172 S/H/Cb S_pri_rad 300-1500 4.28E+02 3.17 0.00 -2.4 0 0 0 0 4 Aaron Vandeputte GAVs -1173 S/H/Cb S_rad/NonDeC 300-1500 2.20E+02 3.17 0.00 -0.1 0 0 0 0 4 Aaron Vandeputte GAVs -1174 S/H/Cb S_rad/Cd 300-1500 8.72E+01 3.17 0.00 -4.2 0 0 0 0 4 Aaron Vandeputte GAVs -1175 S/H/Cb S_rad/Ct 300-1500 2.51E+02 3.17 0.00 7.8 0 0 0 0 4 Aaron Vandeputte GAVs -1176 S/H/Cb S_rad/Cb 300-1500 6.32E+01 3.17 0.00 -2.1 0 0 0 0 4 Aaron Vandeputte GAVs -1177 S/H/Cb S_rad/NonDeS 300-1500 4.57E+01 3.17 0.00 -1.3 0 0 0 0 4 Aaron Vandeputte GAVs -1178 S/H/NonDeS S_pri_rad 300-1500 3.09E+02 3.17 0.00 -1.6 0 0 0 0 4 Aaron Vandeputte GAVs -1179 S/H/NonDeS S_rad/NonDeC 300-1500 1.59E+02 3.17 0.00 0.6 0 0 0 0 4 Aaron Vandeputte GAVs -1180 S/H/NonDeS S_rad/Cd 300-1500 6.30E+01 3.17 0.00 -3.4 0 0 0 0 4 Aaron Vandeputte GAVs -1181 S/H/NonDeS S_rad/Ct 300-1500 1.82E+02 3.17 0.00 8.6 0 0 0 0 4 Aaron Vandeputte GAVs -1182 S/H/NonDeS S_rad/Cb 300-1500 4.57E+01 3.17 0.00 -1.3 0 0 0 0 4 Aaron Vandeputte GAVs -1183 S/H/NonDeS S_rad/NonDeS 300-1500 3.30E+01 3.17 0.00 -0.5 0 0 0 0 4 Aaron Vandeputte GAVs - -// H abstractions involving H2C=S - -1184 S/H/NonDeC CS_pri_rad 300-1500 3.95E+02 3.17 0.00 0.6 0 0 0 0 4 Aaron Vandeputte GAVs -1185 CS_pri C_methyl 300-1500 8.32E+04 2.3 0.00 -0.1 0 0 0 0 4 Aaron Vandeputte GAVs - -// H abstractions involving SJJ -// 1186 H2 SJJ 300-1500 3.49E+07 1.650 0.0 21.4 0 0 0 0 4 Aaron Vandeputte GAVs -// 1187 C_methane SJJ 300-1500 1.73E+02 2.748 0.0 20.8 0 0 0 0 4 Aaron Vandeputte GAVs -// 1188 S/H/NonDeC SJJ 300-1500 4.69E+04 2.639 0.0 2.1 0 0 0 0 4 Aaron Vandeputte GAVs -// 1189 SsI-H H_rad 300-1500 1.42E+08 1.518 0.0 0.8 0 0 0 0 4 Aaron Vandeputte GAVs -// 1190 SsI-H C_methyl 300-1500 2.15E+04 2.289 0.0 0.1 0 0 0 0 4 Aaron Vandeputte GAVs -// 1191 SsI-H S_rad/NonDeC 300-1500 3.00E+02 3.026 0.0 -0.7 0 0 0 0 4 Aaron Vandeputte GAVs - -// H abstractions involving S and O -1192 S_pri O_pri_rad 300-1500 2.33E+04 2.61 0.0 11.35 0 0 0 0 3 CAC calculation CBS-QB3 1dhr -1193 S/H/NonDeC O_pri_rad 300-1500 3.49E+03 3.13 0.0 -1.73 0 0 0 0 3 CAC calculation CBS-QB3 1dhr -1194 S/H/NonDeC O_rad/NonDeC 300-1500 2.84E+04 2.79 0.0 2.64 0 0 0 0 3 CAC calculation CBS-QB3 1dhr -1195 S_pri O_rad/OneDe 300-1500 6.41E+02 2.60 0.0 -8.23 0 0 0 0 4 CAC calculation CBS-QB3 *HO approx* -1196 C/H2/CsS CO_rad/NonDe 300-1500 1.41E+01 3.53 0.0 13.23 0 0 0 0 3 CAC calculation CBS-QB3 1dhr -1197 C/H/CsOS Cs_rad 300-2000 6.68E-03 4.12 0.0 2.94 0 0 0 0 3 CAC calculation CBS-QB3 1dhr -1198 S/H/CO Cs_rad 300-1500 5.83E+04 1.97 0.0 -0.83 0 0 0 0 3 CAC calculation CBS-QB3 1dhr -1199 C/H/CsOS S_pri_rad 300-2000 2.89E+03 2.95 0.0 0.04 0 0 0 0 3 CAC calculation CBS-QB3 1dhr (py) - -500. CO_pri C_rad/H2/Cd\Cs_Cd\H2 600-2000 3.065e-02 3.95 0.0 12.22 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -501. C/H2/Cs\H3/Cs\H3 C_rad/Cs2/Cs\O 300-2000 9.11e-07 5.11 0 5.69 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -1002. C/H/Cs2/Cs\O C_rad/H/Cs\H3/Cs\H3 300-2000 2.35e-06 4.84 0 4.27 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -502. C/H2/Cs\Cs2/O C_rad/H/Cs\H3/Cs\H3 300-2000 1.06e-06 5.06 0 4.89 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -503. C/H3/Cd\Cs_Cd\H2 C_rad/H2/Cs\H\Cs\Cs|O 300-2000 8.39e-06 4.89 0 4.32 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -504. C/H3/Cd\Cs_Cd\H2 C_rad/Cs2/Cs\O 300-2000 1.44e-05 4.52 0 1.46 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -505. C/H3/Cd\Cs_Cd\H2 C_rad/H/Cs\H\Cs2/O 300-2000 4.91e-06 5.07 0 3.66 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -506. C/H3/Cd\Cs_Cd\H2 O_rad/Cs\H2\Cs|H|Cs2 300-2000 5.83e-01 3.74 0 1.45 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -507. C/H3/Cd\H_Cd\H2 C_rad/H2/Cs\H\Cs\Cs|O 300-2000 3.36e-05 4.75 0 4.13 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -508. C/H3/Cd\H_Cd\H2 C_rad/Cs2/Cs\O 300-2000 1.64e-06 4.98 0 3.18 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -509. C/H3/Cd\H_Cd\H2 C_rad/H/Cs\H\Cs2/O 300-2000 3.11e-06 4.97 0 3.64 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -510. C/H3/Cd\H_Cd\H2 O_rad/Cs\H2\Cs|H|Cs2 300-2000 1.19e-01 3.90 0 1.81 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -511. C/H3/Cs\H3 C_rad/H2/Cs\H\Cs\Cs|O 300-2000 3.21e-06 5.28 0 7.78 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -512. C/H/Cs2/Cs\O C_rad/H2/Cs\H3 300-2000 1.41e-05 4.83 0 4.37 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -513. C/H2/Cs\Cs2/O C_rad/H2/Cs\H3 300-2000 4.25e-06 5.01 0 5.01 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -514. C/H3/Cs\H3 O_rad/Cs\H2\Cs|H|Cs2 300-2000 5.07e-03 4.52 0 2.34 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -515. C/H/Cs2/Cs\O Cd_Cd\H2_pri_rad 300-2000 5.49e+00 3.33 0 0.63 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -516. C/H3/Cs\H2\Cs|O Cd_Cd\H2_rad/Cs 300-2000 3.11e-05 4.87 0 3.50 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -517. C/H2/Cs\Cs2/O Cd_Cd\H2_rad/Cs 300-2000 1.28e-02 4.09 0 1.31 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -518. C/H2/CO\H/Cs\H3 C_rad/H2/Cs\H\Cs\Cs|O 300-2000 1.56e-04 4.31 0 3.39 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -519. C/H/Cs2/Cs\O C_rad/H/CO\H/Cs\H3 300-2000 4.85e-04 4.37 0 9.66 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -520. C/H2/Cs\Cs2/O C_rad/H/CO\H/Cs\H3 300-2000 1.84e-03 4.02 0 7.92 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -521. C/H/Cs2CO H_rad 300-2000 2.08e+07 1.84 0 3.03 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -522. C/H3/Cd\Cs_Cd\H2 O_rad/Cd\H_Cd\H\Cs 300-2000 7.52e-08 5.77 0 12.04 0 0 0 0 3 MRH CBS-QB3 calculations w/o HR corrections -524. C/H3/Cd O_rad/NonDeO 300-1500 0.57833e-03 4.65 0 9.78 0 0 0 0 5 SSM due to lack of better value ref rate rule 525 -525. C/H3/Cd\H_Cd\H\Cs O_rad/NonDeO 300-1500 0.57833e-03 4.65 0 9.78 0 0 0 0 5 SSM CBS-QB3 calculations w/o HR corrections -526. H2O2 Cd_rad/NonDeC 300-1500 4.375e-01 3.59 0 -4.03 0 0 0 0 5 SSM due to lack of better value ref rate rule 527 -527. H2O2 Cd_Cd\H\Cs_rad/Cs 300-1500 4.375e-01 3.59 0 -4.03 0 0 0 0 5 SSM CBS-QB3 calculations w/o HR corrections -528. C/H2/OneDeC O_rad/NonDeO 300-1500 2.54e-04 4.59 0 7.16 0 0 0 0 5 SSM due to lack of better value ref rate rule 529 -529. C/H2/Cd\H_Cd\H2/Cs\H3 O_rad/NonDeO 300-1500 2.54e-04 4.59 0 7.16 0 0 0 0 5 SSM CBS-QB3 calculations w/o HR corrections -530. H2O2 Cd_pri_rad 300-1500 1.00e+00 3.52 0 -7.48 0 0 0 0 5 SSM due to lack of better value ref rate rule 531 -531. H2O2 Cd_Cd\H\Cs|H2|Cs_pri_rad 300-1500 1.00e+00 3.52 0 -7.48 0 0 0 0 5 SSM CBS-QB3 calculations w/o HR corrections -533. C_methane C2b 294-376 7.5e12 0.0 0 1.05 1.6e12 0.0 0 0.12 4 Matsugi et al 10.1021/jp1012494 -534. H2O2 O_rad/Cd\H_Cd\H\Cs|Cs 600-2000 3.495e-02 3.75 0.0 10.89 *3 0.0 0.0 2.0 3 MHS CBS-QB3 w/1dHR calculations -535. H2O2 O_rad/OneDe 600-2000 3.495e-02 3.75 0.0 10.89 *3 0.0 0.0 2.0 3 MHS CBS-QB3 w/1dHR calculations, see node 534. -536. H2O2 OOC 600-2000 9.2e-02 3.96 0.0 6.63 *3 0.0 0.0 2.0 3 MHS CBS-QB3 w/1dHR calculations -537. H2O2 O_rad/NonDeO 600-2000 9.2e-02 3.96 0.0 6.63 *3 0.0 0.0 2.0 3 MHS CBS-QB3 w/1dHR calculations, see node 536. -538. C/H2/Cd\H_Cd\H2/Cs\H3 OOC 600-2000 7.41e-3 4.313 0 8.016 *3 0 0 2.0 3 MRH CBS-QB3 calculations, w/1dHR corrections -539. H2O2 C_rad/H2/Cd\H_Cd\H2 600-2000 1.755e-02 4.22 0.0 9.86 *3 0.0 0.0 2.0 3 MHS CBS-QB3 w/1dHR calculations -540. CO/H/Cs\Cs|Cs O_rad/NonDeO 600-2000 1.91e-04 4.25 0.0 0.81 *3 0.0 0.0 2.0 3 MHS CBS-QB3 w/o 1dHR calculations - -// Added by AJ for autoxidation simulations -487. C/H2/NonDeC O2b 378-433 3.16E+14 0 0 43.30 0 0 0 0 4 ET Denisov, LN Denisova. Int J Chem Kinet 8:123-130, 1975 for BuCH2(CH-H)Me in benzene -//488. C/H3/Cs O_rad/NonDeO 300-1500 8.60E+3 0 0 16.02 0 0 0 0 4 Landolt Bornstein estimates for C16H33O2J + C16H34 -//489. C/H2/NonDeC O_rad/NonDeO 300-1500 8.60E+3 0 0 16.02 0 0 0 0 4 Landolt Bornstein estimates for C16H33O2J + C16H34 - -//Added by AJ for low temperature aromatic oxidation (given rank 1 so that RMG will presumably prefer these rates to others that it makes up) -//Notes: AJ did not find data for ethylbenzene + O2 or ethylbenzene + OH on the NIST Kinetics databasa, so values for toluene (per H) were used instead -541. C/H3/Cb O_pri_rad 500-1000 0.42e+13 0.0 0.0 2.59 0 0 0 0 3 Tully et al. experimental data (changed to per H) -542. C/H2/Cb O_pri_rad 500-1000 0.42e+13 0.0 0.0 2.59 0 0 0 0 3 Tully et al. experimental data (changed to per H) -543. C/H/Cb O_pri_rad 500-1000 0.42e+13 0.0 0.0 2.59 0 0 0 0 3 Tully et al. experimental data (changed to per H) -544. C/H3/Cb O_rad/NonDeO 600-1000 1.32e+11 0.0 0.0 14.08 0 0 0 0 3 Baulch et al. literature review (value for HO2 + toluene) (changed to per H) -545. C/H2/Cb O_rad/NonDeO 600-1000 1.33e+11 0.0 0.0 11.30 0 0 0 0 5 Baulch et al. literature review (value for HO2 + ethylbenzene) (changed to per H) -546. C/H/Cb O_rad/NonDeO 600-1000 1.33e+11 0.0 0.0 11.30 0 0 0 0 5 Baulch et al. literature review (value for HO2 + ethylbenzene) (changed to per H) -547. C/H3/Cb O2b 700-1200 0.6e+12 0.0 0.0 39.71 0 0 0 0 3 Baulch et al. literature review (value for HO2 + toluene entered here) (changed to per H) -548. C/H2/Cb O2b 700-1200 0.6e+12 0.0 0.0 39.71 0 0 0 0 5 Baulch et al. literature review (value for HO2 + toluene entered here) (changed to per H) -549. C/H/Cb O2b 700-1200 0.6e+12 0.0 0.0 39.71 0 0 0 0 5 Baulch et al. literature review (value for HO2 + toluene entered here) (changed to per H) - -//Added by AJ for ROOH + RJ = ROOJ + RH -// Previously RMG was using an averaging scheme using nodes 301-309 added above by MRH -// The nodes below are for R. + ROOH = RH + ROO -550. ROOH_pri C_rad/H/NonDeC 500-1000 2.51E-11 6.77 0.0 -8.60 0 0 0 0 5 [AJ]Assumed to be same as for ROOH_sec -551. ROOH_sec C_rad/H/NonDeC 500-1000 2.51E-11 6.77 0.0 -8.60 0 0 0 0 3 [AJ]CBS-QB3 calculations with 1DHR corrections, reverse rates computed using DFT_QCI_thermo -552. ROOH_pri C_rad/H2/Cs 500-1000 2.51E-11 6.77 0.0 -8.60 0 0 0 0 5 [AJ]Assumed to be same as for C_rad/H/NonDeC -553. ROOH_sec C_rad/H2/Cs 500-1000 2.51E-11 6.77 0.0 -8.60 0 0 0 0 5 [AJ]Assumed to be same as for C_rad/H/NonDeC - -// The nodes below are for R1CJ(OOH)R2 + R3OOH = R1CJ(OOH)R2 + R3OO -554. ROOH_pri C_rad/OOH/Cs/Cs 500-1000 5.066E-14 7.18 0.0 -5.27 0 0 0 0 5 [AJ] Assumed to be same as for ROOH_sec -555. ROOH_sec C_rad/OOH/Cs/Cs 500-1000 5.066E-14 7.18 0.0 -5.27 0 0 0 0 3 [AJ] CBS-QB3 calculations with 1DHR corrections - -// The nodes below are for R1C(O) + R2OOH = R1C(O)H + R2OO -556. ROOH_pri CO_rad/NonDe 500-1000 9.569E-04 4.45 0.0 0.54 0 0 0 0 5 [AJ] Assumed to be same as for ROOH_sec -557. ROOH_sec CO_rad/NonDe 500-1000 9.569E-04 4.45 0.0 0.54 0 0 0 0 3 [AJ] CBS-QB3 calculations with 1DHR corrections - -// The nodes below are for R1C(O)-CJ-R2 + R3OOH = R1C(O)-C(H)R2 + R3OO -558. ROOH_pri C_rad/H/CO/Cs 500-1000 1.73E-10 6.30 0.0 -2.14 0 0 0 0 5 [AJ] Assumed to be same as for ROOH_sec -559. ROOH_sec C_rad/H/CO/Cs 500-1000 1.73E-10 6.30 0.0 -2.14 0 0 0 0 5 [AJ] Assumed to be same as for C_rad/H2/CO -560. ROOH_pri C_rad/H2/CO 500-1000 1.73E-10 6.30 0.0 -2.14 0 0 0 0 5 [AJ] Assumed to be same as for ROOH_sec -561. ROOH_sec C_rad/H2/CO 500-1000 1.73E-10 6.30 0.0 -2.14 0 0 0 0 3 [AJ] CBS-QB3 calculations with 1DHR corrections - -562. CS/H/NonDeC C_rad/H/CsS 300-1500 4.36E-10 4.56 0.0 4.77 0 0 0 0 3 CAC CBS-QB3 calc, 1dhr -563. CS/H/NonDeC C_rad/H2/Cs 300-1500 3.77E-01 3.63 0.0 3.98 0 0 0 0 3 CAC CBS-QB3 calc, 1dhr - - -// Reactions added by A.G. Vandeputte for hydrogen abstraction from JP-10 -// 5 new nodes were added October 22nd -// -// C/H2/NonDeC_5ring_fused6_1 : secondary C atom on a 5 ring, that is part of the fused 6 ring -// C/H/Cs3_5ring_fused6 : tertiary C atom on a fused 5 + 6 ring, e.g. tertiary site of norbornane -// C/H2/NonDeC_5ring_fused6_2 : secondary C atom on a 5 ring, that is not part of the fused 6 ring -// C/H/Cs3_5ring_adj5 : tertiary C atom on a C atom that is part of two non-fused 5 rings -// C/H2/NonDeC_5ring_alpha6ring : secondary C atom on a 5 ring, in alpha of the flanking 6 ring (JP10) -// C/H2/NonDeC_5ring_beta6ring : secondary C atom on a 5 ring, in beta of the flanking 6 ring (JP10) -// Rate coefficients were obtained by calculating the habstractions involving methyl using BMK/cbsb7 with inclusion of HR -// CBS-QB3 GAV°´s were then used to estimate the rate coefficients with a variety of radical sites -// -// Despite the fact they are not CBS-QB3 and use GA, I would give these a priority of 4. Aaron -// - -2001 C/H2/NonDeC_5ring_fused6_1 C_methyl 300-1500 1.27E-02 4.24 0.00 5.8 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2002 C/H2/NonDeC_5ring_fused6_1 C_rad/H2/Cs 300-1500 1.47E-03 4.24 0.00 6.8 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2003 C/H2/NonDeC_5ring_fused6_1 C_rad/H/NonDeC 300-1500 2.21E-03 4.24 0.00 7.3 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2004 C/H2/NonDeC_5ring_fused6_1 C_rad/Cs3 300-1500 6.60E-04 4.24 0.00 6.9 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2005 C/H2/NonDeC_5ring_fused6_1 C_rad/H2/Cd 300-1500 1.26E-02 4.24 0.00 16.7 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2006 C/H2/NonDeC_5ring_fused6_1 C_rad/H/CdCs 300-1500 5.67E-03 4.24 0.00 18.1 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2007 C/H2/NonDeC_5ring_fused6_1 C_rad/CdCs2 300-1500 8.81E-04 4.24 0.00 18.1 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2008 C/H2/NonDeC_5ring_fused6_1 C_rad/H/CdCd 300-1500 1.90E-02 4.24 0.00 24.7 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2009 C/H2/NonDeC_5ring_fused6_1 C_rad/CdCdCs 300-1500 9.61E-04 4.24 0.00 24.8 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2010 C/H2/NonDeC_5ring_fused6_1 C_rad/H2/Ct 300-1500 5.75E-03 4.24 0.00 12.9 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2011 C/H2/NonDeC_5ring_fused6_1 C_rad/H/CtCs 300-1500 1.36E-03 4.24 0.00 14.0 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2012 C/H2/NonDeC_5ring_fused6_1 C_rad/CtCs2 300-1500 5.49E-04 4.24 0.00 14.5 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2013 C/H2/NonDeC_5ring_fused6_1 C_rad/H/CtCt 300-1500 5.77E-03 4.24 0.00 19.0 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2014 C/H2/NonDeC_5ring_fused6_1 C_rad/CtCtCs 300-1500 1.61E-04 4.24 0.00 19.7 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2015 C/H2/NonDeC_5ring_fused6_1 C_rad/H2/Cb 300-1500 1.23E-02 4.24 0.00 14.6 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2016 C/H2/NonDeC_5ring_fused6_1 C_rad/H/CbCs 300-1500 3.61E-03 4.24 0.00 15.0 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2017 C/H2/NonDeC_5ring_fused6_1 C_rad/CbCs2 300-1500 9.77E-05 4.24 0.00 14.2 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2018 C/H2/NonDeC_5ring_fused6_1 Cd_pri_rad 300-1500 1.19E-02 4.24 0.00 1.2 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2019 C/H2/NonDeC_5ring_fused6_1 Cd_rad/NonDeC 300-1500 6.72E-03 4.24 0.00 1.7 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2020 C/H2/NonDeC_5ring_fused6_1 Cd_rad/Cd 300-1500 5.64E-03 4.24 0.00 8.9 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2021 C/H2/NonDeC_5ring_fused6_1 Cb_rad 300-1500 1.42E-02 4.24 0.00 -1.5 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2022 C/H2/NonDeC_5ring_fused6_1 Cd_rad/Ct 300-1500 1.21E-03 4.24 0.00 6.2 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2024 C/H/Cs3_5ring_fused6 C_methyl 300-1500 1.83E-02 4.24 0.00 7.8 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2025 C/H/Cs3_5ring_fused6 C_rad/H2/Cs 300-1500 1.60E-03 4.24 0.00 8.7 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2026 C/H/Cs3_5ring_fused6 C_rad/H/NonDeC 300-1500 1.81E-03 4.24 0.00 8.9 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2027 C/H/Cs3_5ring_fused6 C_rad/Cs3 300-1500 4.08E-04 4.24 0.00 8.3 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2028 C/H/Cs3_5ring_fused6 C_rad/H2/Cd 300-1500 1.25E-02 4.24 0.00 17.7 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2029 C/H/Cs3_5ring_fused6 C_rad/H/CdCs 300-1500 4.24E-03 4.24 0.00 18.9 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2030 C/H/Cs3_5ring_fused6 C_rad/CdCs2 300-1500 4.98E-04 4.24 0.00 18.7 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2031 C/H/Cs3_5ring_fused6 C_rad/H/CdCd 300-1500 1.30E-02 4.24 0.00 24.8 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2032 C/H/Cs3_5ring_fused6 C_rad/CdCdCs 300-1500 4.95E-04 4.24 0.00 24.7 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2033 C/H/Cs3_5ring_fused6 C_rad/H2/Ct 300-1500 5.70E-03 4.24 0.00 13.9 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2034 C/H/Cs3_5ring_fused6 C_rad/H/CtCs 300-1500 1.02E-03 4.24 0.00 14.9 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2035 C/H/Cs3_5ring_fused6 C_rad/CtCs2 300-1500 3.10E-04 4.24 0.00 15.1 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2036 C/H/Cs3_5ring_fused6 C_rad/H/CtCt 300-1500 3.94E-03 4.24 0.00 19.0 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2037 C/H/Cs3_5ring_fused6 C_rad/CtCtCs 300-1500 8.32E-05 4.24 0.00 19.5 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2038 C/H/Cs3_5ring_fused6 C_rad/H2/Cb 300-1500 1.22E-02 4.24 0.00 15.6 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2039 C/H/Cs3_5ring_fused6 C_rad/H/CbCs 300-1500 2.70E-03 4.24 0.00 15.8 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2040 C/H/Cs3_5ring_fused6 C_rad/CbCs2 300-1500 5.52E-05 4.24 0.00 14.8 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2041 C/H/Cs3_5ring_fused6 Cd_pri_rad 300-1500 1.72E-02 4.24 0.00 3.3 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2042 C/H/Cs3_5ring_fused6 Cd_rad/NonDeC 300-1500 7.30E-03 4.24 0.00 3.5 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2043 C/H/Cs3_5ring_fused6 Cd_rad/Cd 300-1500 8.13E-03 4.24 0.00 10.9 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2044 C/H/Cs3_5ring_fused6 Cb_rad 300-1500 2.05E-02 4.24 0.00 0.5 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2045 C/H/Cs3_5ring_fused6 Cd_rad/Ct 300-1500 1.74E-03 4.24 0.00 8.2 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2047 C/H2/NonDeC_5ring_fused6_2 C_methyl 300-1500 7.26E-03 4.24 0.00 7.8 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2048 C/H2/NonDeC_5ring_fused6_2 C_rad/H2/Cs 300-1500 8.42E-04 4.24 0.00 8.8 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2049 C/H2/NonDeC_5ring_fused6_2 C_rad/H/NonDeC 300-1500 1.27E-03 4.24 0.00 9.3 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2050 C/H2/NonDeC_5ring_fused6_2 C_rad/Cs3 300-1500 3.78E-04 4.24 0.00 8.9 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2051 C/H2/NonDeC_5ring_fused6_2 C_rad/H2/Cd 300-1500 7.24E-03 4.24 0.00 18.6 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2052 C/H2/NonDeC_5ring_fused6_2 C_rad/H/CdCs 300-1500 3.25E-03 4.24 0.00 20.0 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2053 C/H2/NonDeC_5ring_fused6_2 C_rad/CdCs2 300-1500 5.05E-04 4.24 0.00 20.1 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2054 C/H2/NonDeC_5ring_fused6_2 C_rad/H/CdCd 300-1500 1.09E-02 4.24 0.00 26.7 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2055 C/H2/NonDeC_5ring_fused6_2 C_rad/CdCdCs 300-1500 5.50E-04 4.24 0.00 26.8 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2056 C/H2/NonDeC_5ring_fused6_2 C_rad/H2/Ct 300-1500 3.29E-03 4.24 0.00 14.9 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2057 C/H2/NonDeC_5ring_fused6_2 C_rad/H/CtCs 300-1500 7.79E-04 4.24 0.00 16.0 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2058 C/H2/NonDeC_5ring_fused6_2 C_rad/CtCs2 300-1500 3.14E-04 4.24 0.00 16.5 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2059 C/H2/NonDeC_5ring_fused6_2 C_rad/H/CtCt 300-1500 3.31E-03 4.24 0.00 21.0 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2060 C/H2/NonDeC_5ring_fused6_2 C_rad/CtCtCs 300-1500 9.25E-05 4.24 0.00 21.6 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2061 C/H2/NonDeC_5ring_fused6_2 C_rad/H2/Cb 300-1500 7.06E-03 4.24 0.00 16.5 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2062 C/H2/NonDeC_5ring_fused6_2 C_rad/H/CbCs 300-1500 2.06E-03 4.24 0.00 17.0 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2063 C/H2/NonDeC_5ring_fused6_2 C_rad/CbCs2 300-1500 5.60E-05 4.24 0.00 16.2 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2064 C/H2/NonDeC_5ring_fused6_2 Cd_pri_rad 300-1500 6.84E-03 4.24 0.00 3.2 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2065 C/H2/NonDeC_5ring_fused6_2 Cd_rad/NonDeC 300-1500 3.85E-03 4.24 0.00 3.7 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2066 C/H2/NonDeC_5ring_fused6_2 Cd_rad/Cd 300-1500 3.23E-03 4.24 0.00 10.9 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2067 C/H2/NonDeC_5ring_fused6_2 Cb_rad 300-1500 8.13E-03 4.24 0.00 0.5 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2068 C/H2/NonDeC_5ring_fused6_2 Cd_rad/Ct 300-1500 6.93E-04 4.24 0.00 8.2 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2070 C/H/Cs3_5ring_adj5 C_methyl 300-1500 6.65E-03 4.24 0.00 5.4 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2071 C/H/Cs3_5ring_adj5 C_rad/H2/Cs 300-1500 5.82E-04 4.24 0.00 6.2 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2072 C/H/Cs3_5ring_adj5 C_rad/H/NonDeC 300-1500 6.60E-04 4.24 0.00 6.4 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2073 C/H/Cs3_5ring_adj5 C_rad/Cs3 300-1500 1.49E-04 4.24 0.00 5.9 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2074 C/H/Cs3_5ring_adj5 C_rad/H2/Cd 300-1500 4.57E-03 4.24 0.00 15.2 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2075 C/H/Cs3_5ring_adj5 C_rad/H/CdCs 300-1500 1.54E-03 4.24 0.00 16.4 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2076 C/H/Cs3_5ring_adj5 C_rad/CdCs2 300-1500 1.81E-04 4.24 0.00 16.3 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2077 C/H/Cs3_5ring_adj5 C_rad/H/CdCd 300-1500 4.73E-03 4.24 0.00 22.3 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2078 C/H/Cs3_5ring_adj5 C_rad/CdCdCs 300-1500 1.80E-04 4.24 0.00 22.2 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2079 C/H/Cs3_5ring_adj5 C_rad/H2/Ct 300-1500 2.08E-03 4.24 0.00 11.4 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2080 C/H/Cs3_5ring_adj5 C_rad/H/CtCs 300-1500 3.71E-04 4.24 0.00 12.4 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2081 C/H/Cs3_5ring_adj5 C_rad/CtCs2 300-1500 1.13E-04 4.24 0.00 12.7 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2082 C/H/Cs3_5ring_adj5 C_rad/H/CtCt 300-1500 1.44E-03 4.24 0.00 16.6 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2083 C/H/Cs3_5ring_adj5 C_rad/CtCtCs 300-1500 3.03E-05 4.24 0.00 17.0 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2084 C/H/Cs3_5ring_adj5 C_rad/H2/Cb 300-1500 4.46E-03 4.24 0.00 13.1 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2085 C/H/Cs3_5ring_adj5 C_rad/H/CbCs 300-1500 9.83E-04 4.24 0.00 13.4 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2086 C/H/Cs3_5ring_adj5 C_rad/CbCs2 300-1500 2.01E-05 4.24 0.00 12.4 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2087 C/H/Cs3_5ring_adj5 Cd_pri_rad 300-1500 6.27E-03 4.24 0.00 0.8 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2088 C/H/Cs3_5ring_adj5 Cd_rad/NonDeC 300-1500 2.66E-03 4.24 0.00 1.0 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2089 C/H/Cs3_5ring_adj5 Cd_rad/Cd 300-1500 2.96E-03 4.24 0.00 8.5 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2090 C/H/Cs3_5ring_adj5 Cb_rad 300-1500 7.45E-03 4.24 0.00 -1.9 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2091 C/H/Cs3_5ring_adj5 Cd_rad/Ct 300-1500 6.35E-04 4.24 0.00 5.7 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2093 C/H2/NonDeC_5ring_alpha6ring C_methyl 300-1500 1.04E-02 4.24 0.00 6.3 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2094 C/H2/NonDeC_5ring_alpha6ring C_rad/H2/Cs 300-1500 1.21E-03 4.24 0.00 7.3 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2095 C/H2/NonDeC_5ring_alpha6ring C_rad/H/NonDeC 300-1500 1.82E-03 4.24 0.00 7.7 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2096 C/H2/NonDeC_5ring_alpha6ring C_rad/Cs3 300-1500 5.43E-04 4.24 0.00 7.4 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2097 C/H2/NonDeC_5ring_alpha6ring C_rad/H2/Cd 300-1500 1.04E-02 4.24 0.00 17.1 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2098 C/H2/NonDeC_5ring_alpha6ring C_rad/H/CdCs 300-1500 4.66E-03 4.24 0.00 18.5 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2099 C/H2/NonDeC_5ring_alpha6ring C_rad/CdCs2 300-1500 7.24E-04 4.24 0.00 18.6 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2100 C/H2/NonDeC_5ring_alpha6ring C_rad/H/CdCd 300-1500 1.56E-02 4.24 0.00 25.2 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2101 C/H2/NonDeC_5ring_alpha6ring C_rad/CdCdCs 300-1500 7.89E-04 4.24 0.00 25.3 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2102 C/H2/NonDeC_5ring_alpha6ring C_rad/H2/Ct 300-1500 4.72E-03 4.24 0.00 13.3 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2103 C/H2/NonDeC_5ring_alpha6ring C_rad/H/CtCs 300-1500 1.12E-03 4.24 0.00 14.5 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2104 C/H2/NonDeC_5ring_alpha6ring C_rad/CtCs2 300-1500 4.51E-04 4.24 0.00 15.0 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2105 C/H2/NonDeC_5ring_alpha6ring C_rad/H/CtCt 300-1500 4.74E-03 4.24 0.00 19.5 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2106 C/H2/NonDeC_5ring_alpha6ring C_rad/CtCtCs 300-1500 1.33E-04 4.24 0.00 20.1 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2107 C/H2/NonDeC_5ring_alpha6ring C_rad/H2/Cb 300-1500 1.01E-02 4.24 0.00 15.0 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2108 C/H2/NonDeC_5ring_alpha6ring C_rad/H/CbCs 300-1500 2.96E-03 4.24 0.00 15.4 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2109 C/H2/NonDeC_5ring_alpha6ring C_rad/CbCs2 300-1500 8.03E-05 4.24 0.00 14.7 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2110 C/H2/NonDeC_5ring_alpha6ring Cd_pri_rad 300-1500 9.81E-03 4.24 0.00 1.7 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2111 C/H2/NonDeC_5ring_alpha6ring Cd_rad/NonDeC 300-1500 5.52E-03 4.24 0.00 2.1 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2112 C/H2/NonDeC_5ring_alpha6ring Cd_rad/Cd 300-1500 4.63E-03 4.24 0.00 9.4 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2113 C/H2/NonDeC_5ring_alpha6ring Cb_rad 300-1500 1.17E-02 4.24 0.00 -1.0 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2114 C/H2/NonDeC_5ring_alpha6ring Cd_rad/Ct 300-1500 9.94E-04 4.24 0.00 6.6 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2116 C/H2/NonDeC_5ring_beta6ring C_methyl 300-1500 1.51E-02 4.24 0.00 5.9 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2117 C/H2/NonDeC_5ring_beta6ring C_rad/H2/Cs 300-1500 1.75E-03 4.24 0.00 7.0 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2118 C/H2/NonDeC_5ring_beta6ring C_rad/H/NonDeC 300-1500 2.63E-03 4.24 0.00 7.4 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2119 C/H2/NonDeC_5ring_beta6ring C_rad/Cs3 300-1500 7.87E-04 4.24 0.00 7.0 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2120 C/H2/NonDeC_5ring_beta6ring C_rad/H2/Cd 300-1500 1.51E-02 4.24 0.00 16.8 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2121 C/H2/NonDeC_5ring_beta6ring C_rad/H/CdCs 300-1500 6.75E-03 4.24 0.00 18.2 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2122 C/H2/NonDeC_5ring_beta6ring C_rad/CdCs2 300-1500 1.05E-03 4.24 0.00 18.2 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2123 C/H2/NonDeC_5ring_beta6ring C_rad/H/CdCd 300-1500 2.26E-02 4.24 0.00 24.9 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2124 C/H2/NonDeC_5ring_beta6ring C_rad/CdCdCs 300-1500 1.14E-03 4.24 0.00 24.9 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2125 C/H2/NonDeC_5ring_beta6ring C_rad/H2/Ct 300-1500 6.85E-03 4.24 0.00 13.0 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2126 C/H2/NonDeC_5ring_beta6ring C_rad/H/CtCs 300-1500 1.62E-03 4.24 0.00 14.2 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2127 C/H2/NonDeC_5ring_beta6ring C_rad/CtCs2 300-1500 6.54E-04 4.24 0.00 14.6 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2128 C/H2/NonDeC_5ring_beta6ring C_rad/H/CtCt 300-1500 6.88E-03 4.24 0.00 19.1 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2129 C/H2/NonDeC_5ring_beta6ring C_rad/CtCtCs 300-1500 1.92E-04 4.24 0.00 19.8 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2130 C/H2/NonDeC_5ring_beta6ring C_rad/H2/Cb 300-1500 1.47E-02 4.24 0.00 14.7 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2131 C/H2/NonDeC_5ring_beta6ring C_rad/H/CbCs 300-1500 4.30E-03 4.24 0.00 15.1 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2132 C/H2/NonDeC_5ring_beta6ring C_rad/CbCs2 300-1500 1.16E-04 4.24 0.00 14.3 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2133 C/H2/NonDeC_5ring_beta6ring Cd_pri_rad 300-1500 1.42E-02 4.24 0.00 1.4 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2134 C/H2/NonDeC_5ring_beta6ring Cd_rad/NonDeC 300-1500 8.00E-03 4.24 0.00 1.8 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2135 C/H2/NonDeC_5ring_beta6ring Cd_rad/Cd 300-1500 6.72E-03 4.24 0.00 9.1 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2136 C/H2/NonDeC_5ring_beta6ring Cb_rad 300-1500 1.69E-02 4.24 0.00 -1.4 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -2137 C/H2/NonDeC_5ring_beta6ring Cd_rad/Ct 300-1500 1.44E-03 4.24 0.00 6.3 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) - -// Additional rate coefficients for reactions involving O radicals -// -// Calculated with BMK using the HO approach, 1D-HR calculations underway (October 22nd) -// Some barriers are significant below the entrance/exit channel and a two TS model might be needed. -// There is a likelyhood that the calculated rate coefficients overestimate the real values. -// - -3021 C/H2/NonDeC_5ring_fused6_1 O_pri_rad 300-1500 8.61E+04 2.38 0.0 -1.8 0 0 0 0 4 Aaron Vandeputte BMK/6-311G(2,d,p) OH + JP10 -3022 C/H/Cs3_5ring_fused6 O_pri_rad 300-1500 2.78E+05 2.38 0.0 -1.0 0 0 0 0 4 Aaron Vandeputte BMK/6-311G(2,d,p) OH + JP10 -3023 C/H2/NonDeC_5ring_fused6_2 O_pri_rad 300-1500 8.44E+04 2.38 0.0 -0.9 0 0 0 0 4 Aaron Vandeputte BMK/6-311G(2,d,p) OH + JP10 -3024 C/H/Cs3_5ring_adj5 O_pri_rad 300-1500 5.67E+04 2.38 0.0 -2.7 0 0 0 0 4 Aaron Vandeputte BMK/6-311G(2,d,p) OH + JP10 -3025 C/H2/NonDeC_5ring_alpha6ring O_pri_rad 300-1500 6.88E+04 2.38 0.0 -1.6 0 0 0 0 4 Aaron Vandeputte BMK/6-311G(2,d,p) OH + JP10 -3026 C/H2/NonDeC_5ring_beta6ring O_pri_rad 300-1500 1.51E+05 2.38 0.0 -1.5 0 0 0 0 4 Aaron Vandeputte BMK/6-311G(2,d,p) OH + JP10 - -// A.G. Vandeputte, flagged out, seems to correspond with NIST data but leads to too fast combustion -// also other networks (e.g. Mani Sarathy) has similar reactions as this that are much slower, so I decided to take it out -//3029 Orad_O_H Y_rad 300-1500 2E+12 0.0 0.0 0.0 0 0 0 0 5 Good guess based on NIST data - -3030 C/H2/NonDeC_5ring_fused6_1 H_rad 300-1500 2.87E+03 3.02 0.0 4.5 0 0 0 0 4 Aaron Vandeputte BMK/6-311G(2,d,p) H + JP10 -3031 C/H/Cs3_5ring_fused6 H_rad 300-1500 4.52E+03 3.02 0.0 8.3 0 0 0 0 4 Aaron Vandeputte BMK/6-311G(2,d,p) H + JP10 -3032 C/H2/NonDeC_5ring_fused6_2 H_rad 300-1500 3.18E+03 3.02 0.0 7.7 0 0 0 0 4 Aaron Vandeputte BMK/6-311G(2,d,p) H + JP10 -3033 C/H/Cs3_5ring_adj5 H_rad 300-1500 3.84E+03 3.02 0.0 3.8 0 0 0 0 4 Aaron Vandeputte BMK/6-311G(2,d,p) H + JP10 -3034 C/H2/NonDeC_5ring_alpha6ring H_rad 300-1500 2.22E+03 3.02 0.0 5.3 0 0 0 0 4 Aaron Vandeputte BMK/6-311G(2,d,p) H + JP10 -3035 C/H2/NonDeC_5ring_beta6ring H_rad 300-1500 4.02E+03 3.02 0.0 4.9 0 0 0 0 4 Aaron Vandeputte BMK/6-311G(2,d,p) H + JP10 - -// Additional rate coefficients for hydrogen abstraction by JP10rads from allylic and diallylic (diallylic were set to allylic) - -3040 C_rad/H/NonDeC_5ring_fused6_1 C/H3/Cd 300-1500 8.14E-04 4.24 0.0 6.8 0 0 0 0 4 Aaron Vandeputte BMK -3041 C_rad/Cs3_5ring_adj5 C/H3/Cd 300-1500 4.41E-04 4.24 0.0 5.9 0 0 0 0 4 Aaron Vandeputte BMK -3042 C_rad/H/NonDeC_5ring_alpha6ring C/H3/Cd 300-1500 3.16E-04 4.24 0.0 8.2 0 0 0 0 4 Aaron Vandeputte BMK -3043 C_rad/H/NonDeC_5ring_beta6ring C/H3/Cd 300-1500 9.67E-05 4.24 0.0 7.6 0 0 0 0 4 Aaron Vandeputte BMK -// Estimated from C_rad/Cs3_5ring_adj5 -3044 C_rad/H/NonDeC_5ring_fused6_2 C/H3/Cd 300-1500 4.41E-04 4.24 0.0 5.9 0 0 0 0 4 Aaron Vandeputte BMK -3045 C_rad/Cs3_5ring_fused6 C/H3/Cd 300-1500 4.41E-04 4.24 0.0 5.9 0 0 0 0 4 Aaron Vandeputte BMK - -// Estimated from C/H3/Cd\H_Cd\H2 - -3046 C_rad/H/NonDeC_5ring_fused6_1 C/H2/CdCd 300-1500 8.14E-04 4.24 0.0 6.8 0 0 0 0 4 Estimated value -3047 C_rad/Cs3_5ring_adj5 C/H2/CdCd 300-1500 4.41E-04 4.24 0.0 5.9 0 0 0 0 4 Estimated value -3048 C_rad/H/NonDeC_5ring_alpha6ring C/H2/CdCd 300-1500 3.16E-04 4.24 0.0 8.2 0 0 0 0 4 Estimated value -3049 C_rad/H/NonDeC_5ring_beta6ring C/H2/CdCd 300-1500 9.67E-05 4.24 0.0 7.6 0 0 0 0 4 Estimated value -3050 C_rad/H/NonDeC_5ring_fused6_2 C/H2/CdCd 300-1500 4.41E-04 4.24 0.0 5.9 0 0 0 0 4 Estimated value -3050 C_rad/Cs3_5ring_fused6 C/H2/CdCd 300-1500 4.41E-04 4.24 0.0 5.9 0 0 0 0 4 Estimated value - -// H abstractions by vinylic radicals, extract from AI database AG Vandeputte -3053 H2 Cd_Cd\H2_pri_rad 300-1500 2.33E-02 4.24 0 3.2 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -3054 C_methane Cd_Cd\H2_pri_rad 300-1500 1.32E-02 4.24 0 5.9 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -3055 C/H3/Cs Cd_Cd\H2_pri_rad 300-1500 1.99E-02 4.24 0 3.5 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -3056 C/H2/NonDeC Cd_Cd\H2_pri_rad 300-1500 4.55E-02 4.24 0 1.5 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -3057 C/H/Cs3 Cd_Cd\H2_pri_rad 300-1500 2.74E-02 4.24 0 -0.3 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -3058 C/H3/Cd Cd_Cd\H2_pri_rad 300-1500 4.08E-03 4.24 0 0.3 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -3059 C/H2/CdCs Cd_Cd\H2_pri_rad 300-1500 1.62E-02 4.24 0 -1.1 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -3060 C/H3/Ct Cd_Cd\H2_pri_rad 300-1500 1.13E-02 4.24 0 0.8 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -3061 C/H2/CtCs Cd_Cd\H2_pri_rad 300-1500 1.55E-02 4.24 0 -0.7 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -3062 C/H3/Cb Cd_Cd\H2_pri_rad 300-1500 3.64E-03 4.24 0 2.1 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) -3063 C/H2/CbCs Cd_Cd\H2_pri_rad 300-1500 5.37E-03 4.24 0 0.3 0 0 0 0 4 Aaron Vandeputte GAVs BMK/6-311G(2,d,p) - -// Reference: Accurate High-Temperature Reaction Networks for Alternative Fuels: Butanol Isomers -// Ind. Eng. Chem. Res., Vol. 49, No. 21, 2010 doi: 10.1021/ie1005349 -3064 C/H3/Cs\H\Cs\O H_rad 300-2000 1.89E+6 2.21 0 7.5 0 0 0 0 3 MRH CBS-QB3 with 1-dHR corrections ref: doi: 10.1021/ie1005349 -3065 C/H/Cs2O H_rad 300-2000 4.14E+5 2.34 0 2.68 0 0 0 0 3 MRH CBS-QB3 with 1-dHR corrections ref: doi: 10.1021/ie1005349 - -3066 C/H3/Cs\H\Cs\O C_methyl 300-2000 0.473 3.6 0 11.05 0 0 0 0 3 MRH CBS-QB3 with 1-dHR corrections ref: doi: 10.1021/ie1005349 -3067 C/H/Cs2O C_methyl 300-2000 0.389 3.53 0 4.01 0 0 0 0 3 MRH CBS-QB3 with 1-dHR corrections ref: doi: 10.1021/ie1005349 - -3068 C/H2/CdCs H_rad 300-2000 2.25E+4 2.67 0 3.48 0 0 0 0 3 MRH CBS-QB3 with 1-dHR corrections ref: doi: 10.1021/ie1005349 -3069 C/H2/CdCs C_methyl 300-2000 1.02E-1 3.99 0 6.27 0 0 0 0 3 MRH CBS-QB3 with 1-dHR corrections ref: doi: 10.1021/ie1005349 - -// 3070 same as rate rule 3071 -3070 C/H3/Cd\H_Cd\H2 H_rad 300-2000 1.12E+3 3.14 0 4.29 0 0 0 0 3 same as rule 3072. ref: doi: 10.1021/ie1005349 -3071 C/H3/Cd\H_Cd\H\Cs H_rad 300-2000 1.12E+3 3.14 0 4.29 0 0 0 0 3 MRH CBS-QB3 with 1-dHR corrections ref: doi: 10.1021/ie1005349 - -// 3072 same as rate rule 3073 -3072 C/H3/Cd\H_Cd\H2 C_methyl 300-2000 2.4E-2 4.25 0 7.53 0 0 0 0 3 same as rule 3072. ref: doi: 10.1021/ie1005349 -3073 C/H3/Cd\H_Cd\H\Cs C_methyl 300-2000 2.4E-2 4.25 0 7.53 0 0 0 0 3 MRH CBS-QB3 with 1-dHR corrections ref: doi: 10.1021/ie1005349 - -3074 C/H3/Cd\Cs_Cd\H2 H_rad 300-2000 8.38E+2 3.18 0 4.37 0 0 0 0 3 MRH CBS-QB3 with 1-dHR corrections ref: doi: 10.1021/ie1005349 -3075 C/H3/Cd\Cs_Cd\H2 C_methyl 300-2000 1.98E-2 4.26 0 7.55 0 0 0 0 3 MRH CBS-QB3 with 1-dHR corrections ref: doi: 10.1021/ie1005349 - -3076 Cd/H/NonDeC H_rad 300-1500 3.86E-01 4.34 0.00 6.3 0 0 0 0 3 Aaron Vandeputte GAVs CBS-QB3 -3077 Cd/H/NonDeC C_methyl 300-1500 9.15E-03 4.34 0.00 8.4 0 0 0 0 3 Aaron Vandeputte GAVs CBS-QB3 -3078 Cd/H/NonDeC C_rad/H2/Cs 300-1500 1.28E-03 4.34 0.00 9.7 0 0 0 0 3 Aaron Vandeputte GAVs CBS-QB3 -3079 Cd/H/NonDeC C_rad/H/NonDeC 300-1500 1.48E-03 4.34 0.00 10.3 0 0 0 0 3 Aaron Vandeputte GAVs CBS-QB3 -3080 Cd/H/NonDeC C_rad/Cs3 300-1500 1.48E-03 4.34 0.00 10.2 0 0 0 0 3 Aaron Vandeputte GAVs CBS-QB3 - -// iBuOH + OH (communication from truhlar group) refitted to arrhenius form -3081 C/H2/Cs\Cs2/O O_pri_rad 300-2000 2.16E+6 2.002 0.00 -0.113 0 0 0 0 3 -3083 C/H/Cs2/Cs\O O_pri_rad 300-2000 3.476E+4 2.458 0.00 -0.155 0 0 0 0 3 -3085 C/H3/Cs\H\Cs\Cs|O O_pri_rad 300-2000 2.3E+8 1.225 0.00 -0.467 0 0 0 0 3 -3087 O/H/NonDeC O_pri_rad 300-2000 3.35E+4 2.378 0.00 -0.881 0 0 0 0 3 - -// iBuOH+H SSM CBS-QB3 1dHR -3088 C/H3/Cs\H\Cs\Cs|O H_rad 300-2000 4.5E+6 1.76 0.00 7.45 0 0 0 0 3 SSM CBS-QB3 with 1-dHR corrections -3090 C/H/Cs2/Cs\O H_rad 300-2000 1.74E+7 1.48 0.00 3.44 0 0 0 0 3 SSM CBS-QB3 with 1-dHR corrections -3092 C/H2/Cs\Cs2/O H_rad 300-2000 5.5E+6 1.59 0.00 3.35 0 0 0 0 3 SSM CBS-QB3 with 1-dHR corrections -3094 O/H/NonDeC H_rad 300-2000 4.05E+4 2.38 0.00 9.34 0 0 0 0 3 SSM CBS-QB3 with 1-dHR corrections - -// iBuOH+CH3 SSM CBS-QB3 1dHR -3095 C/H3/Cs\H\Cs\Cs|O C_methyl 300-2000 2.68E-1 3.59 0.00 7.72 0 0 0 0 3 SSM CBS-QB3 with 1-dHR corrections -3097 C/H/Cs2/Cs\O C_methyl 300-2000 4.14E+2 2.87 0.00 4.9 0 0 0 0 3 SSM CBS-QB3 with 1-dHR corrections -3099 C/H2/Cs\Cs2/O C_methyl 300-2000 7.65 3.31 0.00 6.95 0 0 0 0 3 SSM CBS-QB3 with 1-dHR corrections -3101 O/H/NonDeC C_methyl 300-2000 2.32 3.49 0.00 6.09 0 0 0 0 3 SSM CBS-QB3 with 1-dHR corrections - -// iBuOH+C2H3 SSM CBS-QB3 1dHR -3102 C/H3/Cs\H\Cs\Cs|O Cd_Cd\H2_pri_rad 300-2000 1.8E-4 4.55 0.00 3.5 0 0 0 0 3 SSM CBS-QB3 with 1-dHR corrections -3104 C/H/Cs2/Cs\O Cd_Cd\H2_pri_rad 300-2000 2.7E-2 3.9 0.00 0.684 0 0 0 0 3 SSM CBS-QB3 with 1-dHR corrections -3106 C/H2/Cs\Cs2/O Cd_Cd\H2_pri_rad 300-2000 2.6E-2 3.9 0.00 0.86 0 0 0 0 3 SSM CBS-QB3 with 1-dHR corrections - -// iBuOH+O SSM estimates -//!Values for -alpha,-gamma,-O come from C2H5OH+O TST calculations: -//! C. W. Wu, Y. P. Lee, S. C. Xu, M. C. Lin, J. Phys. Chem. A 111 (2007) 6693-6703. -// -alpha is 2*k(C2H5OH+O=OH+CH2CH2OH) -3108 C/H3/Cs\H\Cs\Cs|O O_atom_triplet 300-2000 3.23E2 3.23 0.00 4.66 0 0 0 0 5 C2H5OH+O=OH+CH2CH2OH - -//!The following comes from: W. Tsang, "Chemical kinetic database for comubstion chemistry. Part IV. Isobutane" -//! J. Phys. Chem. Ref. Data. 19 (1990) 1-68 -//!The kinetic rate is for iso-butane + O = OH + tert-C4H9 -3110 C/H/Cs2/Cs\O O_atom_triplet 300-2000 7.8E+4 2.5 0.00 1.11 0 0 0 0 5 iso-butane + O = OH + tert-C4H9 - -// iBuOH+O SSM estimates -//!Values for -alpha,-gamma,-O come from C2H5OH+O TST calculations: -//! C. W. Wu, Y. P. Lee, S. C. Xu, M. C. Lin, J. Phys. Chem. A 111 (2007) 6693-6703. -// -alpha is 2*k(C2H5OH+O=OH+CH2CH2OH) -3112 C/H2/Cs\Cs2/O O_atom_triplet 300-2000 7.25E4 2.47 0.00 0.88 0 0 0 0 5 C2H5OH+O=OH+CH3CHOH -3114 O/H/NonDeC O_atom_triplet 300-2000 1.46E-3 4.73 0.00 1.73 0 0 0 0 5 C2H5OH+O=OH+CH3CH2O - -// iBuOH+HO2 SSM CBS-QB3 without 1dHR -//gamma -3115 C_rad/H2/Cs\H\Cs\Cs|O H2O2 300-2000 1.5 3.28 0.00 1.05 0 0 0 0 5 SSM CBS-QB3 without 1-dHR corrections -3117 C_rad/H2/Cs H2O2 300-2000 1.5 3.28 0.00 1.05 0 0 0 0 5 same as 3116 -//beta -3119 C_rad/Cs2/Cs\O H2O2 300-2000 1.455 3.31 0.00 1.41 0 0 0 0 5 SSM CBS-QB3 without 1-dHR corrections -//alpha -3121 C_rad/H/Cs\H\Cs2/O H2O2 300-2000 2.85E+1 3.04 0.00 1.21 0 0 0 0 5 SSM CBS-QB3 without 1-dHR corrections - -// Kinetics of the hydrogen atom abstraction reactions from 1-butanol by hydroxyl radical: theory matches experiment and more. -// Seal, Prasenjit Oyedepo, Gbenga Truhlar, Donald G -// doi: 10.1021/jp310910f - -3122 O/H/NonDeC O_pri_rad 300-2000 4.95E-1 3.88 0.00 -1.632 0 0 0 0 2 CCSD(T)-F12a/pVTZ with MS-VTST treatment for rotors -3123 C/H2/CsO O_pri_rad 300-2000 2.155E+4 2.6 0.00 -1.738 0 0 0 0 2 CCSD(T)-F12a/pVTZ with MS-VTST treatment for rotors -3124 C/H2/Cs/Cs\O O_pri_rad 300-2000 2.275E+1 3.37 0.00 -2.638 0 0 0 0 2 CCSD(T)-F12a/pVTZ with MS-VTST treatment for rotors -3125 C/H2/Cs/Cs\Cs|O O_pri_rad 300-2000 3.7E+1 3.31 0.00 -2.189 0 0 0 0 2 CCSD(T)-F12a/pVTZ with MS-VTST treatment for rotors -3126 C/H3/Cs O_pri_rad 300-2000 0.47E+5 2.31 0.00 0.394 0 0 0 0 2 CCSD(T)-F12a/pVTZ with MS-VTST treatment for rotors - -// SSM estimates -// C. W. Wu, Y. P. Lee, S. C. Xu, M. C. Lin, J. Phys. Chem. A 111 (2007) 6693-6703. -// Values for -beta,-gamma come from branching ratio for k(nC4H10+O=OH+sC4H9)/k(nC4H10+O=OH+nC4H9) -// Value for k(nC4H10+O=OH+nC4H9) (ref: N. Cohen, K. R. Westberg, J. Phys. Chem. Ref. Data 20 (1991) 1211-1311) -3124 C/H2/Cs/Cs\O O_atom_triplet 300-2000 84.5 3.43 0.00 1.74 0 0 0 0 5 -3125 C/H2/Cs/Cs\Cs|O O_atom_triplet 300-2000 84.5 3.43 0.00 1.74 0 0 0 0 5 - -// nBuOH+H MRH CBS-QB3 1dHR -3125 C/H2/Cs/Cs\O H_rad 300-2000 1.13E+6 2.15 0.00 5.66 0 0 0 0 3 MRH CBS-QB3 with 1-dHR corrections -3126 C/H2/Cs/Cs\Cs|O H_rad 300-2000 5.57E+5 2.25 0.00 5.44 0 0 0 0 3 MRH CBS-QB3 with 1-dHR corrections - -// nBuOH+CH3 MRH CBS-QB3 1dHR -3127 C/H2/Cs/Cs\O C_methyl 300-2000 12.0 3.24 0.00 8.06 0 0 0 0 3 MRH CBS-QB3 with 1-dHR corrections -3128 C/H2/Cs/Cs\Cs|O C_methyl 300-2000 4.65 3.37 0.00 7.79 0 0 0 0 3 MRH CBS-QB3 with 1-dHR corrections diff --git a/output/RMG_database/kinetics_groups/H_Abstraction/reactionAdjList.txt b/output/RMG_database/kinetics_groups/H_Abstraction/reactionAdjList.txt deleted file mode 100755 index 49a1d108ff..0000000000 --- a/output/RMG_database/kinetics_groups/H_Abstraction/reactionAdjList.txt +++ /dev/null @@ -1,21 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Nov. 18, 2002 // -// // -////////////////////////////////////////////////////// - - -// f01 H Abstraction - -X_H + Y_rad_birad -> X_rad + Y_H - -thermo_consistence - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) FORM_BOND {*2,S,*3} -(3) GAIN_RADICAL {*1,1} -(4) LOSE_RADICAL {*3,1} - diff --git a/output/RMG_database/kinetics_groups/H_Abstraction/tree.txt b/output/RMG_database/kinetics_groups/H_Abstraction/tree.txt deleted file mode 100755 index f96450eb8a..0000000000 --- a/output/RMG_database/kinetics_groups/H_Abstraction/tree.txt +++ /dev/null @@ -1,406 +0,0 @@ -// tree for f01: HAbstraction reaction -// original from tree.txt, CDW 10/20/2002 -// SR and JS correct errors and add more nodes, Nov., 20, 2002 -// S.R., C.D.W (1/21/03) add biradicals -// C.D.W. (6/4/03) added Y_2centeradjbirad (O2b and C2b). -// JS, remove CO_birad to form a new family later: CO + RH -> HCO + R. Aug, 26, 2003 -// f01_intermolecular_HA - -// AG Vandeputte, tree explained -// Legend: -// Parent node from which the H abstraction occurs or has the radical site -// follwed by '/' for the ligand type -// eg. C/H3/Cs -> C-(Cs)(H)(H)(H) -// Legacy reasons often cause ligands missing which can cause some confusion -// eg. C/H2/NonDeO -> C-(NonDeX!H)(O)(H)(H) -// -// \ = second level, defines beta positions -// eg. C/H3/Cs\H3 -> C-(CH3)(H)(H)(H) -// -// | = third level, defines gamma positions -// eg. C/H3/Cs\H2\Cs|O -> C-(CH2(Cs-O))(H)(H)(H) -// -// _ = double bonds -// eg. C/H3/Cd\Cs_Cd\H2 -> C-(Cd(Cs)=Cd(H)2)(H)(H)(H) -> 2-me-propene -// -// Definitions for H abstractions from JP-10 can be found in library -// 5ring_fused6_1, 5ring_fused6_2, 5ring_alpha6ring, 5ring_beta6ring, -// 5ring_adj5, Cs3_5ring_fused6 -// - -L1: X_H_or_Xrad_H - L2: X_H - L3: H2 - L3: Cs_H - L4: C_methane - L4: C_pri - L5: C/H3/Cs - L6: C/H3/Cs\H3 - L6: C/H3/Cs\1NonDe - L7: C/H3/Cs\H2\Cs - L8: C/H3/Cs\H2\Cs|O - L7: C/H3/Cs\H2\O - L6: C/H3/Cs\2NonDe - L7: C/H3/Cs\H\Cs\O - L7: C/H3/Cs\H\Cs\Cs|O - L5: C/H3/O - L5: C/H3/S - L5: C/H3/OneDe - L6: C/H3/Cd - L7: C/H3/Cd\H_Cd\H2 - L7: C/H3/Cd\H_Cd\H\Cs - L7: C/H3/Cd\Cs_Cd\H2 - L6: C/H3/CS - L6: C/H3/Ct - L6: C/H3/Cb - L6: C/H3/CO - L4: C_sec - L5: C/H2/NonDeC - L6: C/H2/Cs\H3/Cs\H3 - L6: C/H2/Cs/Cs\O - L6: C/H2/Cs/Cs\Cs|O - L6: C/H2/NonDeC_5ring - L7: C/H2/NonDeC_5ring_fused6_1 - L7: C/H2/NonDeC_5ring_fused6_2 - L7: C/H2/NonDeC_5ring_alpha6ring - L7: C/H2/NonDeC_5ring_beta6ring - L5: C/H2/NonDeO - L6: C/H2/CsO - L7: C/H2/Cs\Cs2/O - L6: C/H2/O2 - L5: C/H2/NonDeS - L6: C/H2/CsS - L5: C/H2/OneDe - L6: C/H2/OneDeC - L7: C/H2/CdCs - L8: C/H2/Cd\H_Cd\H2/Cs\H3 - L7: C/H2/CSCs - L7: C/H2/CtCs - L7: C/H2/CbCs - L7: C/H2/COCs - L8: C/H2/CO\H/Cs\H3 - L6: C/H2/OneDeO - L6: C/H2/OneDeS - L7: C/H2/CdS - L7: C/H2/CtS - L5: C/H2/TwoDe - L6: C/H2/CdCd - L6: C/H2/CdCS - L6: C/H2/CSCS - L6: C/H2/CdCt - L6: C/H2/CtCS - L6: C/H2/CdCb - L6: C/H2/CbCS - L6: C/H2/CdCO - L6: C/H2/COCS - L6: C/H2/CtCt - L6: C/H2/CtCb - L6: C/H2/CtCO - L6: C/H2/CbCb - L6: C/H2/CbCO - L6: C/H2/COCO - L5: C/H2/Cb - L4: C_ter - L5: C/H/NonDeC - L6: C/H/Cs3 - L7: C/H/Cs2/Cs\O - L7: C/H/Cs3_5ring - L8: C/H/Cs3_5ring_adj5 - L8: C/H/Cs3_5ring_fused6 - L6: C/H/NDMustO - L7: C/H/Cs2O - L7: C/H/CsO2 - L7: C/H/O3 - L6: C/H/NDMustS - L7: C/H/Cs2S - L7: C/H/CsS2 - L7: C/H/S3 - L6: C/H/NDMustOS - L7: C/H/CsOS - L5: C/H/OneDe - L6: C/H/Cs2 - L7: C/H/Cs2Cd - L7: C/H/Cs2CS - L7: C/H/Cs2Ct - L7: C/H/Cs2Cb - L7: C/H/Cs2CO - L6: C/H/CsO - L6: C/H/CsS - L7: C/H/CdCsS - L7: C/H/CtCsS - L6: C/H/OO - L6: C/H/OS - L6: C/H/SS - L5: C/H/TwoDe - L6: C/H/Cs - L7: C/H/CdCd - L7: C/H/CdCS - L7: C/H/CSCS - L7: C/H/CdCt - L7: C/H/CtCS - L7: C/H/CdCb - L7: C/H/CbCS - L7: C/H/CdCO - L7: C/H/COCS - L7: C/H/CtCt - L7: C/H/CtCb - L7: C/H/CtCO - L7: C/H/CbCb - L7: C/H/CbCO - L7: C/H/COCO - L6: C/H/TDMustO - L6: C/H/TDMustS - L5: C/H/ThreeDe - L5: C/H/Cb - L3: Cd_H - L4: Cd_pri - L4: Cd_sec - L5: Cd/H/NonDeC - L5: Cd/H/NonDeO - L5: Cd/H/NonDeS - L5: Cd/H/OneDe - L6: Cd/H/Cd - L6: Cd/H/CS - L6: Cd/H/Ct - L6: Cd/H/Cb - L6: Cd/H/CO - L3: Ct_H - L3: Cb_H - L3: CO_H - L4: CO_pri - L4: CO_sec - L5: CO/H/NonDe - L6: CO/H/Cs - L7: CO/H/Cs\Cs|Cs - L5: CO/H/OneDe - L3: CS_H - L4: CS_pri - L4: CS_sec - L5: CS/H/NonDeC - L5: CS/H/NonDeO - L5: CS/H/NonDeS - L5: CS/H/OneDe - L6: CS/H/Cd - L6: CS/H/CS - L6: CS/H/Ct - L6: CS/H/Cb - L6: CS/H/CO - L3: O_H - L4: O_pri - L4: O_sec - L5: O/H/NonDeC - L5: O/H/NonDeO - L6: H2O2 - L6: ROOH_pri - L6: ROOH_sec - L6: ROOH_ter - L5: O/H/OneDe - L3: Orad_O_H - L3: S_H - L4: S_pri - L4: S_sec - L5: S/H/NonDeC - L5: S/H/NonDeS - L5: S/H/OneDe - L6: S/H/Cd - L6: S/H/CS - L6: S/H/Ct - L6: S/H/Cb - L6: S/H/CO - L2: Xrad_H - L3: Srad_H - - -L1: Y_rad_birad - //L2: Y_2centeradjbirad - //L3: O2b - //L3: C2b - L2: Y_1centerbirad - //L3: CO_birad - L3: O_atom_triplet - L3: CH2_triplet - L2: Y_rad - L3: Y_2centeradjbirad - L4: O2b - L4: C2b - L3: H_rad - L3: Cs_rad - L4: C_methyl - L4: C_pri_rad - L5: C_rad/H2/Cs - L6: C_rad/H2/Cs\H3 - L6: C_rad/H2/Cs\Cs2\O - L6: C_rad/H2/Cs\H\Cs\Cs|O - L6: C_rad/H2/Cs\H\Cs|Cs\O - L6: C_rad/H2/Cs\H2\Cs|Cs|O - L6: C_rad/H2/Cs\H2\Cs|Cs#O - L5: C_rad/H2/Cd - L6: C_rad/H2/Cd\H_Cd\H2 - L6: C_rad/H2/Cd\Cs_Cd\H2 - L5: C_rad/H2/Ct - L5: C_rad/H2/Cb - L5: C_rad/H2/CO - L5: C_rad/H2/O - L5: C_rad/H2/S - L4: C_sec_rad - L5: C_rad/H/NonDeC - L6: C_rad/H/Cs\H3/Cs\H3 - L6: C_rad/H/Cs\H2\Cs/Cs\H2\O - L6: C_rad/H/Cs\H\Cs\O/Cs - L6: C_rad/H/Cs\H2\Cs|O/Cs - L6: C_rad/H/NonDeC_5ring_fused6_1 - L6: C_rad/H/NonDeC_5ring_fused6_2 - L6: C_rad/H/NonDeC_5ring_alpha6ring - L6: C_rad/H/NonDeC_5ring_beta6ring - L5: C_rad/H/NonDeO - L6: C_rad/H/CsO - L7: C_rad/H/Cs\H2\Cs/O - L8: C_rad/H/Cs\H2\Cs|H2|Cs/O - L7: C_rad/H/Cs\H\Cs2/O - L6: C_rad/H/O2 - L5: C_rad/H/NonDeS - L6: C_rad/H/CsS - L6: C_rad/H/S2 - L5: C_rad/H/OneDe - L6: C_rad/H/OneDeC - L7: C_rad/H/CdCs - L7: C_rad/H/CSCs - L7: C_rad/H/CtCs - L7: C_rad/H/CbCs - L7: C_rad/H/CO/Cs - L8: C_rad/H/CO\H/Cs\H3 - L6: C_rad/H/OneDeO - L6: C_rad/H/OneDeS - L7: C_rad/H/CdS - L7: C_rad/H/CtS - L5: C_rad/H/TwoDe - L6: C_rad/H/CdCd - L6: C_rad/H/CdCS - L6: C_rad/H/CSCS - L6: C_rad/H/CdCt - L6: C_rad/H/CtCS - L6: C_rad/H/CdCb - L6: C_rad/H/CbCS - L6: C_rad/H/CdCO - L6: C_rad/H/COCS - L6: C_rad/H/CtCt - L6: C_rad/H/CtCb - L6: C_rad/H/CtCO - L6: C_rad/H/CbCb - L6: C_rad/H/CbCO - L6: C_rad/H/COCO - L4: C_ter_rad - L5: C_rad/NonDe - L6: C_rad/Cs3 - L7: C_rad/Cs2/Cs\O - L7: C_rad/Cs3_5ring_fused6 - L7: C_rad/Cs3_5ring_adj5 - L6: C_rad/NDMustO - L7: C_rad/Cs2O - L8: C_rad/O/Cs/Cs\Cs - L8: C_rad/OOH/Cs/Cs - L7: C_rad/CsO2 - L7: C_rad/O3 - L6: C_rad/NDMustS - L7: C_rad/Cs2S - L7: C_rad/CsS2 - L7: C_rad/S3 - L5: C_rad/OneDe - L6: C_rad/Cs2 - L7: C_rad/CdCs2 - L7: C_rad/CSCs2 - L7: C_rad/CtCs2 - L7: C_rad/CbCs2 - L7: C_rad/COCs2 - L6: C_rad/CsO - L6: C_rad/CsS - L7: C_rad/CdCsS - L7: C_rad/CtCsS - L6: C_rad/O2 - L6: C_rad/OS - L6: C_rad/S2 - L5: C_rad/TwoDe - L6: C_rad/Cs - L7: C_rad/CdCdCs - L7: C_rad/CdCSCs - L7: C_rad/CSCSCs - L7: C_rad/CdCtCs - L7: C_rad/CtCSCs - L7: C_rad/CdCbCs - L7: C_rad/CbCSCs - L7: C_rad/CdCOCs - L7: C_rad/COCSCs - L7: C_rad/CtCtCs - L7: C_rad/CtCbCs - L7: C_rad/CtCOCs - L7: C_rad/CbCbCs - L7: C_rad/CbCOCs - L7: C_rad/COCOCs - L6: C_rad/TDMustO - L6: C_rad/TDMustS - L5: C_rad/ThreeDe - L3: Cd_rad - L4: Cd_pri_rad - L5: Cd_Cd\H2_pri_rad - L5: Cd_Cd\H\Cs_pri_rad - L6: Cd_Cd\H\Cs|H2|Cs_pri_rad - L5: Cd_Cd\Cs2_pri_rad - L4: Cd_sec_rad - L5: Cd_rad/NonDeC - L6: Cd_Cd\H2_rad/Cs - L6: Cd_Cd\H\Cs_rad/Cs - L5: Cd_rad/NonDeO - L5: Cd_rad/NonDeS - L5: Cd_rad/OneDe - L6: Cd_rad/Cd - L6: Cd_rad/CS - L6: Cd_rad/Ct - L6: Cd_rad/Cb - L6: Cd_rad/CO - L3: Ct_rad - L3: Cb_rad - L3: CO_rad - L4: CO_pri_rad - L4: CO_sec_rad - L5: CO_rad/NonDe - L5: CO_rad/OneDe - L3: CS_rad - L4: CS_pri_rad - L4: CS_sec_rad - L5: CS_rad/NonDe - L6: CS_rad/Cs - L6: CS_rad/O - L6: CS_rad/S - L5: CS_rad/OneDe - L6: CS_rad/Cd - L6: CS_rad/CS - L6: CS_rad/Ct - L6: CS_rad/Cb - L6: CS_rad/CO - L3: O_rad - L4: O_pri_rad - L4: O_sec_rad - L5: O_rad/NonDeC - L6: O_rad/Cs\H2\Cs|H|Cs2 - L5: O_rad/NonDeO - L6: OOC - L5: O_rad/OneDe - L6: O_rad/Cd - L7: O_rad/Cd\H_Cd\H2 - L7: O_rad/Cd\H_Cd\H\Cs - L7: O_rad/Cd\H_Cd\Cs2 - L7: O_rad/Cd\Cs_Cd\H2 - L7: O_rad/Cd\Cs_Cd\H\Cs - L7: O_rad/Cd\Cs_Cd\Cs2 - L3: S_rad - L4: S_pri_rad - L4: S_sec_rad - L5: S_rad/NonDeC - L5: S_rad/NonDeS - L5: S_rad/OneDe - L6: S_rad/Cd - L6: S_rad/CS - L6: S_rad/Ct - L6: S_rad/Cb - L6: S_rad/CO - diff --git a/output/RMG_database/kinetics_groups/Intra_Diels_alder/dictionary.txt b/output/RMG_database/kinetics_groups/Intra_Diels_alder/dictionary.txt deleted file mode 100755 index fc7c08d942..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_Diels_alder/dictionary.txt +++ /dev/null @@ -1,45 +0,0 @@ -cyclohexene -Union {cyclohexene_1inring, cyclohexene_2inring, cyclohexene_3inring, cyclohexene_4inring} - -cyclohexene_1inring -1 *1 R!H 0 {6,S} {2,S} -2 *2 R!H 0 {1,S} {3,D} -3 *3 R!H 0 {2,D} {4,S} -4 *4 R!H 0 {3,S} {5,S} {7,S} -5 *5 R!H 0 {4,S} {6,S} {7,S} -6 *6 R!H 0 {1,S} {5,S} -7 R!H 0 {4,S} {5,S} - -cyclohexene_2inring -1 *1 R!H 0 {6,S} {2,S} -2 *2 R!H 0 {1,S} {3,D} -3 *3 R!H 0 {2,D} {4,S} -4 *4 R!H 0 {3,S} {5,S} {7,S} -5 *5 R!H 0 {4,S} {6,S} {8,S} -6 *6 R!H 0 {1,S} {5,S} -7 R!H 0 {4,S} {8,{S,D}} -8 R!H 0 {7,{S,D}} {5,S} - -cyclohexene_3inring -1 *1 R!H 0 {6,S} {2,S} -2 *2 R!H 0 {1,S} {3,D} -3 *3 R!H 0 {2,D} {4,S} -4 *4 R!H 0 {3,S} {5,S} {7,S} -5 *5 R!H 0 {4,S} {6,S} {9,S} -6 *6 R!H 0 {1,S} {5,S} -7 R!H 0 {4,S} {8,{S,D}} -8 R!H 0 {7,{S,D}} {9,{S,D}} -9 R!H 0 {8,{S,D}} {5,S} - -cyclohexene_4inring -1 *1 R!H 0 {6,S} {2,S} -2 *2 R!H 0 {1,S} {3,D} -3 *3 R!H 0 {2,D} {4,S} -4 *4 R!H 0 {3,S} {5,S} {7,S} -5 *5 R!H 0 {4,S} {6,S} {10,S} -6 *6 R!H 0 {1,S} {5,S} -7 R!H 0 {4,S} {8,{S,D}} -8 R!H 0 {7,{S,D}} {9,{S,D}} -9 R!H 0 {8,{S,D}} {10,{S,D}} -10 R!H 0 {9,{S,D}} {5,S} - diff --git a/output/RMG_database/kinetics_groups/Intra_Diels_alder/forbiddenGroups.txt b/output/RMG_database/kinetics_groups/Intra_Diels_alder/forbiddenGroups.txt deleted file mode 100644 index 1e3c4ba423..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_Diels_alder/forbiddenGroups.txt +++ /dev/null @@ -1,18 +0,0 @@ -two5rings -1 C 0 {2,S} {4,S} {5,S} {10,S} -2 *4 C 0 {1,S} {3,S} {16,S} -3 *3 C 0 {2,S} {6,S} {11,D} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {3,S} -7 *1 C 0 {8,S} {11,S} {12,S} -8 *6 C 0 {7,S} {9,S} {13,S} -9 *5 C 0 {8,S} {10,S} {14,S} -10 C 0 {9,S} {11,S} {15,S} {1,S} -11 *2 C 0 {7,S} {10,S} {3,D} -12 H 0 {7,S} -13 H 0 {8,S} -14 H 0 {9,S} -15 H 0 {10,S} -16 H 0 {2,S} - diff --git a/output/RMG_database/kinetics_groups/Intra_Diels_alder/rateLibrary.txt b/output/RMG_database/kinetics_groups/Intra_Diels_alder/rateLibrary.txt deleted file mode 100755 index 622cffabae..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_Diels_alder/rateLibrary.txt +++ /dev/null @@ -1,8 +0,0 @@ -// rate library for f19: diels-Alder reaction - -Arrhenius_EP - -//No. cycloehexene Temp. A N a E0 DA Dn Da DE0 Rank Comments -1. cyclohexene 300-1500 1.24E10 1.27 0.0 65.6 0 0 0 0 4 A. G. Vandeputte, value for ring opening JP10= - - diff --git a/output/RMG_database/kinetics_groups/Intra_Diels_alder/reactionAdjList.txt b/output/RMG_database/kinetics_groups/Intra_Diels_alder/reactionAdjList.txt deleted file mode 100755 index 4e82925c6c..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_Diels_alder/reactionAdjList.txt +++ /dev/null @@ -1,27 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// AG Vandeputte, Nov 10, 2013 // -// // -////////////////////////////////////////////////////// - - -// f33 Intra_Diels_alder - -cyclohexene -> open - -forward -reverse(f33): none - -Actions 1 -(1) CHANGE_BOND {*1,1,*2} -(2) CHANGE_BOND {*3,1,*4} -(3) CHANGE_BOND {*2,-1,*3} -(4) CHANGE_BOND {*5,1,*6} -(5) BREAK_BOND {*1,S,*6} -(6) BREAK_BOND {*4,S,*5} - - - - diff --git a/output/RMG_database/kinetics_groups/Intra_Diels_alder/tree.txt b/output/RMG_database/kinetics_groups/Intra_Diels_alder/tree.txt deleted file mode 100755 index 1c50c02c4c..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_Diels_alder/tree.txt +++ /dev/null @@ -1,7 +0,0 @@ -//F33 Intra_Diels_alder reaction -L1: cyclohexene - L2: cyclohexene_1inring - L2: cyclohexene_2inring - L2: cyclohexene_3inring - L2: cyclohexene_4inring - diff --git a/output/RMG_database/kinetics_groups/Intra_Disproportionation/dictionary.txt b/output/RMG_database/kinetics_groups/Intra_Disproportionation/dictionary.txt deleted file mode 100644 index 4dcecf06ee..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_Disproportionation/dictionary.txt +++ /dev/null @@ -1,115 +0,0 @@ -Rn -Union {R3, R4, R5, R6, R7} - -//It is assumed below that the other radical site (#3) is not a member of the TS ring; we may eventually want to consider the possibility for the radical site being in the TS ring, which in certain cases, may give rise to multiple transition states for the same reaction; I expect that the number of cases that would be encountered where this reaction would not occur at all due to neglecting this would be small; UPDATE: 2,5-pentdiyl radical to 1-pentene can only occur when radical site is included in ring, so maybe this is more important than I thought -//update: (cf. above) I will consider possibility of Endo case, but I will assume the rate rules are the same as for the probably more typical exo case (2nd radical site not a part of ring) - -R3 -Union {R3radEndo,R3radExo} - -R3radEndo -1 *1 {R!H} 1 {2,{S,D,B,T}} -2 *3 {R!H} 1 {1,{S,D,B,T}} {3,S} -3 *2 {R!H} 0 {2,S} {4,S} -4 *4 H 0 {3,S} - -R3radExo -1 *1 {R!H} 1 {2,{S,D,B,T}} -2 {R!H} 0 {1,{S,D,B,T}} {3,{S,D,B}} -3 *2 {R!H} 0 {2,{S,D,B}} {4,S} {5,S} -4 *3 {R!H} 1 {3,S} -5 *4 H 0 {3,S} - -R4 -Union {R4radEndo,R4radExo} - -R4radEndo -1 *1 {R!H} 1 {2,{S,D,B,T}} -2 {R!H} 0 {1,{S,D,B,T}} {3,{S,D,B,T}} -3 *3 {R!H} 1 {2,{S,D,B,T}} {4,S} -4 *2 {R!H} 0 {3,S} {5,S} -5 *4 H 0 {4,S} - -R4radExo -1 *1 {R!H} 1 {2,{S,D,B,T}} -2 {R!H} 0 {1,{S,D,B,T}} {3,{S,D,B,T}} -3 {R!H} 0 {2,{S,D,B,T}} {4,{S,D,B}} -4 *2 {R!H} 0 {3,{S,D,B}} {5,S} {6,S} -5 *3 {R!H} 1 {4,S} -6 *4 H 0 {4,S} - -R5 -Union {R5radEndo,R5radExo} - -R5radEndo -1 *1 {R!H} 1 {2,{S,D,B,T}} -2 {R!H} 0 {1,{S,D,B,T}} {3,{S,D,B,T}} -3 {R!H} 0 {2,{S,D,B,T}} {4,{S,D,B,T}} -4 *3 {R!H} 1 {3,{S,D,B,T}} {5,S} -5 *2 {R!H} 0 {4,S} {6,S} -6 *4 H 0 {5,S} - -R5radExo -1 *1 {R!H} 1 {2,{S,D,B,T}} -2 {R!H} 0 {1,{S,D,B,T}} {3,{S,D,B,T}} -3 {R!H} 0 {2,{S,D,B,T}} {4,{S,D,B,T}} -4 {R!H} 0 {3,{S,D,B,T}} {5,{S,D,B}} -5 *2 {R!H} 0 {4,{S,D,B}} {6,S} {7,S} -6 *3 {R!H} 1 {5,S} -7 *4 H 0 {5,S} - -R6 -Union {R6radEndo,R6radExo} - -R6radEndo -1 *1 {R!H} 1 {2,{S,D,B,T}} -2 {R!H} 0 {1,{S,D,B,T}} {3,{S,D,B,T}} -3 {R!H} 0 {2,{S,D,B,T}} {4,{S,D,B,T}} -4 {R!H} 0 {3,{S,D,B,T}} {5,{S,D,B,T}} -5 *3 {R!H} 1 {4,{S,D,B,T}} {6,S} -6 *2 {R!H} 0 {5,S} {7,S} -7 *4 H 0 {6,S} - -R6radExo -1 *1 {R!H} 1 {2,{S,D,B,T}} -2 {R!H} 0 {1,{S,D,B,T}} {3,{S,D,B,T}} -3 {R!H} 0 {2,{S,D,B,T}} {4,{S,D,B,T}} -4 {R!H} 0 {3,{S,D,B,T}} {5,{S,D,B,T}} -5 {R!H} 0 {4,{S,D,B,T}} {6,{S,D,B}} -6 *2 {R!H} 0 {5,{S,D,B}} {7,S} {8,S} -7 *3 {R!H} 1 {6,S} -8 *4 H 0 {6,S} - -R7 -Union {R7radEndo,R7radExo} - -R7radEndo -1 *1 {R!H} 1 {2,{S,D,B,T}} -2 {R!H} 0 {1,{S,D,B,T}} {3,{S,D,B,T}} -3 {R!H} 0 {2,{S,D,B,T}} {4,{S,D,B,T}} -4 {R!H} 0 {3,{S,D,B,T}} {5,{S,D,B,T}} -5 {R!H} 0 {4,{S,D,B,T}} {6,{S,D,B,T}} -6 *3 {R!H} 1 {5,{S,D,B,T}} {7,S} -7 *2 {R!H} 0 {6,S} {8,S} -8 *4 H 0 {7,S} - -R7radExo -1 *1 {R!H} 1 {2,{S,D,B,T}} -2 {R!H} 0 {1,{S,D,B,T}} {3,{S,D,B,T}} -3 {R!H} 0 {2,{S,D,B,T}} {4,{S,D,B,T}} -4 {R!H} 0 {3,{S,D,B,T}} {5,{S,D,B,T}} -5 {R!H} 0 {4,{S,D,B,T}} {6,{S,D,B,T}} -6 {R!H} 0 {5,{S,D,B,T}} {7,{S,D,B}} -7 *2 {R!H} 0 {6,{S,D,B}} {8,S} {9,S} -8 *3 {R!H} 1 {7,S} -9 *4 H 0 {7,S} - -// the abstracting radical -Y_rad -1 *1 {R!H} 1 - -//the site with a free hydrogen on an atom adjacent to a radical -XH_Rrad -1 *3 {R!H} 1 {2,S} -2 *2 {R!H} 0 {1,S} {3,S} -3 *4 H 0 {2,S} diff --git a/output/RMG_database/kinetics_groups/Intra_Disproportionation/forbiddenGroups.txt b/output/RMG_database/kinetics_groups/Intra_Disproportionation/forbiddenGroups.txt deleted file mode 100644 index 556c0a2362..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_Disproportionation/forbiddenGroups.txt +++ /dev/null @@ -1,44 +0,0 @@ -fused5rings_1 -1 C 1 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} {8,S} -5 C 0 {1,S} {4,S} {6,S} -6 C 1 {5,S} {7,S} -7 C 0 {6,S} {8,S} -8 C 0 {4,S} {7,S} - -fused5rings_2 -1 C 1 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} {8,S} -5 C 0 {1,S} {4,S} {6,S} -6 C 0 {5,S} {7,S} -7 C 1 {6,S} {8,S} -8 C 0 {4,S} {7,S} - -fused5rings_3 -1 C 1 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} {8,S} -5 C 0 {1,S} {4,S} {6,S} -6 C 0 {5,S} {7,S} -7 C 0 {6,S} {8,S} -8 C 1 {4,S} {7,S} - -fused5rings_4 -1 C 0 {2,S} {5,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} {8,S} -5 C 0 {1,S} {4,S} {6,S} -6 C 0 {5,S} {7,S} -7 C 1 {6,S} {8,S} -8 C 0 {4,S} {7,S} - - - - - diff --git a/output/RMG_database/kinetics_groups/Intra_Disproportionation/rateLibrary.txt b/output/RMG_database/kinetics_groups/Intra_Disproportionation/rateLibrary.txt deleted file mode 100644 index 052ab4e2a5..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_Disproportionation/rateLibrary.txt +++ /dev/null @@ -1,23 +0,0 @@ -//Intra_Disproportionation -//gmagoon 08/06/09: estimates 1-5 below are based on: -//(1) reference Ea values from Herbinet, Sirjean, Bounaceur, Fournet, Battin-Leclerc, Scacchi, and Marquaire, "Primary Mechanism of the Thermal Decomposition of Tricyclodecane", J. Phys. Chem. A, 2006, 110 (39), 11298-11314 DOI: 10.1021/jp0623802 -//(2) A (and n) factors from Eq. 1 (with deltan_int = -1) of Warth, Stef, Glaude, Battin-Leclerc, Scacchi, and Come, "Computer-Aided Derivation of Gas-Phase Oxidation Mechanisms: Application to the Modeling of the Oxidation of n-Butane", Comb. and Flame 114:81-102 (1998) doi:10.1016/S0010-2180(97)00273-3 -// these are more likely to be overestimates than underestimates - -// Aaron Vandeputte -// unrealistic high values -// just divided the rate coefficients that RMG predicts for 4, 5 and 6 ring recombination by a factor of 10 to have systematically a krec/kdis of 10% per H atom for similar TS rings (e.g. kdisprop R3 / krec R4 = 10%) - - -Arrhenius_EP - -//No Rn Y_rad XH_Rrad Temp A N Alpha E DA DN DAlpha DE Rank Comments -// before A = 5.66E+10 -1 R3 Y_rad XH_Rrad 300-1500 1.62E+11 -0.305 0 2 0 0 0 0 5 Herbinet et al.(2006) reference Ea and Warth et al.(1998) prefactor with deltan_int=-1 -2 R4 Y_rad XH_Rrad 300-1500 7.76E+08 0.311 0 2 0 0 0 0 5 Herbinet et al.(2006) reference Ea and Warth et al.(1998) prefactor with deltan_int=-1 -3 R5 Y_rad XH_Rrad 300-1500 3.21E+09 0.137 0 2 0 0 0 0 5 Herbinet et al.(2006) reference Ea and Warth et al.(1998) prefactor with deltan_int=-1 -4 R6 Y_rad XH_Rrad 300-1500 3.21E+09 0.137 0 2 0 0 0 0 5 Herbinet et al.(2006) reference Ea and Warth et al.(1998) prefactor with deltan_int=-1 -5 R7 Y_rad XH_Rrad 300-1500 3.21E+09 0.137 0 2 0 0 0 0 5 Herbinet et al.(2006) reference Ea and Warth et al.(1998) prefactor with deltan_int=-1 - - - diff --git a/output/RMG_database/kinetics_groups/Intra_Disproportionation/rateLibrary.txt.orig b/output/RMG_database/kinetics_groups/Intra_Disproportionation/rateLibrary.txt.orig deleted file mode 100644 index 3b14b041f1..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_Disproportionation/rateLibrary.txt.orig +++ /dev/null @@ -1,20 +0,0 @@ -//Intra_Disproportionation -//gmagoon 08/06/09: estimates 1-5 below are based on: -//(1) reference Ea values from Herbinet, Sirjean, Bounaceur, Fournet, Battin-Leclerc, Scacchi, and Marquaire, "Primary Mechanism of the Thermal Decomposition of Tricyclodecane", J. Phys. Chem. A, 2006, 110 (39), 11298-11314 DOI: 10.1021/jp0623802 -//(2) A (and n) factors from Eq. 1 (with deltan_int = -1) of Warth, Stef, Glaude, Battin-Leclerc, Scacchi, and Come, "Computer-Aided Derivation of Gas-Phase Oxidation Mechanisms: Application to the Modeling of the Oxidation of n-Butane", Comb. and Flame 114:81-102 (1998) doi:10.1016/S0010-2180(97)00273-3 -// these are more likely to be overestimates than underestimates - -// Aaron Vandeputte -// unrealistic high values -// everything modified, kept activation energies of Herbinet et al. (2006) for cyc4, cyc5, cyc6, pre-exponentials modified => yield rate that are between 5 to 25% of intramolecular recombination (+- same ratio as for bimolecular case) - - -Arrhenius_EP - -//No Rn Y_rad XH_Rrad Temp A N Alpha E DA DN DAlpha DE Rank Comments -// before A = 5.66E+10 -1 R3 Y_rad XH_Rrad 300-1500 2.00E+10 1.0 0 12.0 0 0 0 0 5 Herbinet et al.(2006) reference Ea and Warth et al.(1998) prefactor with deltan_int=-1 -2 R4 Y_rad XH_Rrad 300-1500 2.00E+09 1.0 0 16.3 0 0 0 0 5 Herbinet et al.(2006) reference Ea and Warth et al.(1998) prefactor with deltan_int=-1 -3 R5 Y_rad XH_Rrad 300-1500 2.00E+08 1.0 0 7.75 0 0 0 0 5 Herbinet et al.(2006) reference Ea and Warth et al.(1998) prefactor with deltan_int=-1 -4 R6 Y_rad XH_Rrad 300-1500 1.00E+08 1.0 0 3.85 0 0 0 0 5 Herbinet et al.(2006) reference Ea and Warth et al.(1998) prefactor with deltan_int=-1 -5 R7 Y_rad XH_Rrad 300-1500 1.00E+08 1.0 0 3.85 0 0 0 0 5 Herbinet et al.(2006) reference Ea and Warth et al.(1998) prefactor with deltan_int=-1 diff --git a/output/RMG_database/kinetics_groups/Intra_Disproportionation/reactionAdjList.txt b/output/RMG_database/kinetics_groups/Intra_Disproportionation/reactionAdjList.txt deleted file mode 100644 index bb217da56f..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_Disproportionation/reactionAdjList.txt +++ /dev/null @@ -1,25 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 29, 2003 // -// // -////////////////////////////////////////////////////// - - -// Intra_Disproportionation -// Intramolecular analog of Disproportionation; implemented by gmagoon 8/6/09 - -Rn -> Y - -forward -reverse(f10): BiradFromMultipleBond - -Actions 1 -(1) FORM_BOND {*1,S,*4} -(2) BREAK_BOND {*2,S,*4} -(3) CHANGE_BOND {*2,1,*3} -(4) LOSE_RADICAL {*1,1} -(5) LOSE_RADICAL {*3,1} - - diff --git a/output/RMG_database/kinetics_groups/Intra_Disproportionation/tree.txt b/output/RMG_database/kinetics_groups/Intra_Disproportionation/tree.txt deleted file mode 100644 index 505f515949..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_Disproportionation/tree.txt +++ /dev/null @@ -1,28 +0,0 @@ -//Intra_Disproportionation -//what should we put for "2-member TS" rate (for adjacent biradicals?) - -L1: Rn - //ring-size includes hydrogen - L2: R3 - L3: R3radExo - L3: R3radEndo - L2: R4 - L3: R4radExo - L3: R4radEndo - L2: R5 - L3: R5radExo - L3: R5radEndo - L2: R6 - L3: R6radExo - L3: R6radEndo - L2: R7 - L3: R7radExo - L3: R7radEndo - -// the abstracting radical -L1: Y_rad -//L1: Rrad; gmagoon 8/7/09: changed name to more closely match disproportionation library - -//the site with a free hydrogen adjacent to a radical -L1: XH_Rrad -//L1: RHRrad; gmagoon 8/7/09: changed name to more closely match disproportionation library diff --git a/output/RMG_database/kinetics_groups/Intra_R_Add_Endocyclic/dictionary.txt b/output/RMG_database/kinetics_groups/Intra_R_Add_Endocyclic/dictionary.txt deleted file mode 100644 index 6502d15508..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_R_Add_Endocyclic/dictionary.txt +++ /dev/null @@ -1,1245 +0,0 @@ -//f29_intra_radical_addition_to_endocyclic_radical -//From Sumathy, Jan, 29, 2003 - -Rn -Union {R3, R4, R5, R6, R7, R8, R9} - -//R3 groups - -R3 -1 *1 {R!H} 1 {2,S} -2 *2 {Cd,Ct,CO} 0 {1,S}, {3,{D,T}} -3 *3 {Cd,Ct,Od,Sd} 0 {2,{D,T}} - -R3_D -1 *1 {R!H} 1 {2,S} -2 *2 Cd 0 {1,S}, {3,D} -3 *3 Cd 0 {2,D} - -R3_T -1 *1 {R!H} 1 {2,S} -2 *2 Ct 0 {1,S}, {3,T} -3 *3 Ct 0 {2,T} - -R3_CO -1 *1 {R!H} 1 {2,S} -2 *2 CO 0 {1,S}, {3,D} -3 *3 Od 0 {2,D} - -R3_C=S -1 *1 {R!H} 1 {2,S} -2 *2 Cd 0 {1,S}, {3,D} -3 *3 Sd 0 {2,D} - -//R4 groups - -R4 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} X {1,{S,D,T,B}}, {3,S} -3 *2 {Cd,Ct,CO} 0 {2,S}, {4,{D,T}} -4 *3 {Cd,Ct,Od,Sd} 0 {3,{D,T}} - -R4_S -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 {Cd,Ct,CO} 0 {2,S}, {4,{D,T}} -4 *3 {Cd,Ct,Od,Sd} 0 {3,{D,T}} - -R4_S_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 Cd 0 {2,S}, {4,D} -4 *3 Cd 0 {3,D} - -R4_S_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 Ct 0 {2,S}, {4,T} -4 *3 Ct 0 {3,T} - -R4_S_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 CO 0 {2,S}, {4,D} -4 *3 Od 0 {3,D} - -R4_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *2 {Cd,Ct,CO} 0 {2,S}, {4,{D,T}} -4 *3 {Cd,Ct,Od,Sd} 0 {3,{D,T}} - -R4_D_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *2 Cd 0 {2,S}, {4,D} -4 *3 Cd 0 {3,D} - -R4_D_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *2 Ct 0 {2,S}, {4,T} -4 *3 Ct 0 {3,T} - -R4_D_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *2 CO 0 {2,S}, {4,D} -4 *3 Od 0 {3,D} - -R4_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *2 {Cd,Ct,CO} 0 {2,S}, {4,{D,T}} -4 *3 {Cd,Ct,Od,Sd} 0 {3,{D,T}} - -R4_T_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *2 Cd 0 {2,S}, {4,D} -4 *3 Cd 0 {3,D} - -R4_T_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *2 Ct 0 {2,S}, {4,T} -4 *3 Ct 0 {3,T} - -R4_T_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *2 CO 0 {2,S}, {4,D} -4 *3 Od 0 {3,D} - -R4_B -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *2 {Cd,Ct,CO} 0 {2,S}, {4,{D,T}} -4 *3 {Cd,Ct,Od,Sd} 0 {3,{D,T}} - -R4_B_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *2 Cd 0 {2,S}, {4,D} -4 *3 Cd 0 {3,D} - -R4_B_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *2 Ct 0 {2,S}, {4,T} -4 *3 Ct 0 {3,T} - -R4_B_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *2 CO 0 {2,S}, {4,D} -4 *3 Od 0 {3,D} - -//R5 groups - -R5 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} X {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *5 {R!H} X {2,{S,D,T,B}}, {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S}, {5,{D,T}} -5 *3 {Cd,Ct,Od,Sd} 0 {4,{D,T}} - -R5_SS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S}, {5,{D,T}} -5 *3 {Cd,Ct,Od,Sd} 0 {4,{D,T}} - -R5_SDD -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 *5 Cd 0 {2,D}, {4,S} -4 *2 {Cd} 0 {3,S}, {5,D} -5 *3 {Cdd} 0 {4,D} {6,D} -6 Cd 0 {5,D} - -R5_SS_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 Cd 0 {3,S}, {5,D} -5 *3 Cd 0 {4,D} - -R5_SS_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 Ct 0 {3,S}, {5,T} -5 *3 Ct 0 {4,T} - -R5_SS_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 CO 0 {3,S}, {5,D} -5 *3 Od 0 {4,D} - -R5_SD -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 *5 Cd 0 {2,D}, {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S}, {5,{D,T}} -5 *3 {Cd,Ct,Od,Sd} 0 {4,{D,T}} - -R5_SD_D -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 *5 Cd 0 {2,D}, {4,S} -4 *2 Cd 0 {3,S}, {5,D} -5 *3 Cd 0 {4,D} - -R5_SD_T -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 *5 Cd 0 {2,D}, {4,S} -4 *2 Ct 0 {3,S}, {5,T} -5 *3 Ct 0 {4,T} - -R5_SD_CO -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 *5 Cd 0 {2,D}, {4,S} -4 *2 CO 0 {3,S}, {5,D} -5 *3 Od 0 {4,D} - -R5_DS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S}, {5,{D,T}} -5 *3 {Cd,Ct,Od,Sd} 0 {4,{D,T}} - -//R5_DS_allenic -//1 *1 Cd 1 {2,D} -//2 *4 Cd 0 {1,D}, {3,S} -//3 *5 {R!H} 0 {2,S}, {4,D} -//4 *2 {Cd,Ct,CO} 0 {3,D}, {5,D} -//5 *3 {Cd,Ct,Od} 0 {4,D} - -R5_DS_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 Cd 0 {3,S}, {5,D} -5 *3 Cd 0 {4,D} - -//R5_DS_allenic_D -//1 *1 Cd 1 {2,D} -//2 *4 Cd 0 {1,D}, {3,S} -//3 *5 {R!H} 0 {2,S}, {4,D} -//4 *2 Cd 0 {3,D}, {5,D} -//5 *3 Cd 0 {4,D} - -R5_DS_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 Ct 0 {3,S}, {5,T} -5 *3 Ct 0 {4,T} - -R5_DS_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 CO 0 {3,S}, {5,D} -5 *3 Od 0 {4,D} - -//R5_DS_allenic_CO -//1 *1 Cd 1 {2,D} -//2 *4 Cd 0 {1,D}, {3,S} -//3 *5 {R!H} 0 {2,S}, {4,D} -//4 *2 CO 0 {3,D}, {5,D} -//5 *3 Od 0 {4,D} - -R5_ST -1 *1 {R!H} 1 {2,S} -2 *4 Ct 0 {1,S}, {3,T} -3 *5 Ct 0 {2,T}, {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S}, {5,{D,T}} -5 *3 {Cd,Ct,Od,Sd} 0 {4,{D,T}} - -R5_ST_D -1 *1 {R!H} 1 {2,S} -2 *4 Ct 0 {1,S}, {3,T} -3 *5 Ct 0 {2,T}, {4,S} -4 *2 Cd 0 {3,S}, {5,D} -5 *3 Cd 0 {4,D} - -R5_ST_T -1 *1 {R!H} 1 {2,S} -2 *4 Ct 0 {1,S}, {3,T} -3 *5 Ct 0 {2,T}, {4,S} -4 *2 Ct 0 {3,S}, {5,T} -5 *3 Ct 0 {4,T} - -R5_ST_CO -1 *1 {R!H} 1 {2,S} -2 *4 Ct 0 {1,S}, {3,T} -3 *5 Ct 0 {2,T}, {4,S} -4 *2 CO 0 {3,S}, {5,D} -5 *3 Od 0 {4,D} - -R5_TS -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S}, {5,{D,T}} -5 *3 {Cd,Ct,Od,Sd} 0 {4,{D,T}} - -R5_TS_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 Cd 0 {3,S}, {5,D} -5 *3 Cd 0 {4,D} - -R5_TS_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 Ct 0 {3,S} {5,T} -5 *3 Ct 0 {4,T} - -R5_TS_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 CO 0 {3,S}, {5,D} -5 *3 Od 0 {4,D} - -R5_SB -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *5 Cb 0 {2,B}, {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S}, {5,{D,T}} -5 *3 {Cd,Ct,Od,Sd} 0 {4,{D,T}} - -R5_SB_D -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *5 Cb 0 {2,B}, {4,S} -4 *2 Cd 0 {3,S}, {5,D} -5 *3 Cd 0 {4,D} - -R5_SB_T -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *5 Cb 0 {2,B}, {4,S} -4 *2 Ct 0 {3,S}, {5,T} -5 *3 Ct 0 {4,T} - -R5_SB_CO -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *5 Cb 0 {2,B}, {4,S} -4 *2 CO 0 {3,S}, {5,D} -5 *3 Od 0 {4,D} - -R5_BS -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S}, {5,{D,T}} -5 *3 {Cd,Ct,Od,Sd} 0 {4,{D,T}} - -R5_BS_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 Cd 0 {3,S}, {5,D} -5 *3 Cd 0 {4,D} - -R5_BS_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 Ct 0 {3,S}, {5,T} -5 *3 Ct 0 {4,T} - -R5_BS_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 CO 0 {3,S}, {5,D} -5 *3 Od 0 {4,D} - -R5_BB -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *5 Cb 0 {2,B}, {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S}, {5,{D,T}} -5 *3 {Cd,Ct,Od,Sd} 0 {4,{D,T}} - -R5_BB_D -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *5 Cb 0 {2,B}, {4,S} -4 *2 Cd 0 {3,S}, {5,D} -5 *3 Cd 0 {4,D} - -R5_BB_T -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *5 Cb 0 {2,B}, {4,S} -4 *2 Ct 0 {3,S}, {5,T} -5 *3 Ct 0 {4,T} - -R5_BB_CO -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *5 Cb 0 {2,B}, {4,S} -4 *2 CO 0 {3,S}, {5,D} -5 *3 Od 0 {4,D} - -//R6 groups - -R6 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} X {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} X {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *5 {R!H} X {3,{S,D,T,B}}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_RSR -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_SSR -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_SSS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_SSS_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_SSS_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_SSS_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -R6_SSM -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_SSM_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_SSM_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_SSM_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -R6_DSR -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_DSS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_DSS_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_DSS_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_DSS_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -R6_DSM -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_DSM_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_DSM_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_DSM_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -R6_TSR -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_TSS -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_TSS_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_TSS_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_TSS_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -R6_TSM -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_TSM_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_TSM_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_TSM_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -R6_BSR -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_BSS -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_BSS_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_BSS_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_BSS_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -R6_BSM -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_BSM_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_BSM_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_BSM_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -R6_SMS -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S}, {3,{D,T,B}} -3 *6 {Cd,Ct,Cb} 0 {2,{D,T,B}}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_SMS_D -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S}, {3,{D,T,B}} -3 *6 {Cd,Ct,Cb} 0 {2,{D,T,B}}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_SMS_T -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S}, {3,{D,T,B}} -3 *6 {Cd,Ct,Cb} 0 {2,{D,T,B}}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_SMS_CO -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S}, {3,{D,T,B}} -3 *6 {Cd,Ct,Cb} 0 {2,{D,T,B}}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -R6_SBB -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *6 Cbf 0 {2,B}, {4,B} -4 *5 Cb 0 {3,B}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_SBB_D -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *6 Cbf 0 {2,B}, {4,B} -4 *5 Cb 0 {3,B}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_SBB_T -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *6 Cbf 0 {2,B}, {4,B} -4 *5 Cb 0 {3,B}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_SBB_CO -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *6 Cbf 0 {2,B}, {4,B} -4 *5 Cb 0 {3,B}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -R6_BBS -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *6 Cb 0 {2,B}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_BBS_D -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *6 Cb 0 {2,B}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_BBS_T -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *6 Cb 0 {2,B}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_BBS_CO -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *6 Cb 0 {2,B}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -//R7 groups - -R7 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} X {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} X {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *7 {R!H} X {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *5 {R!H} X {4,{S,D,T,B}}, {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S}, {7,{D,T}} -7 *3 {Cd,Ct,Od,Sd} 0 {6,{D,T}} - -//R8 groups - -R8 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} X {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} X {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *7 {R!H} X {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *8 {R!H} X {4,{S,D,T,B}}, {6,{S,D,T,B}} -6 *5 {R!H} X {5,{S,D,T,B}}, {7,S} -7 *2 {Cd,Ct,CO} 0 {6,S}, {8,{D,T}} -8 *3 {Cd,Ct,Od,Sd} 0 {7,{D,T}} - -//R9 groups - -R9 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} X {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} X {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *7 {R!H} X {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *8 {R!H} X {4,{S,D,T,B}}, {6,{S,D,T,B}} -6 *9 {R!H} X {5,{S,D,T,B}}, {7,{S,D,T,B}} -7 *5 {R!H} X {6,{S,D,T,B}}, {8,S} -8 *2 {Cd,Ct,CO} 0 {7,S}, {9,{D,T}} -9 *3 {Cd,Ct,Od,Sd} 0 {8,{D,T}} - -R9_SSSSSD -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *8 {R!H} 0 {4,S}, {6,S} -6 *9 {R!H} 0 {5,S}, {7,D} -7 *5 {R!H} 0 {6,D}, {8,S} -8 *2 {Cd,Ct,CO} 0 {7,S}, {9,{D,T}} -9 *3 {Cd,Ct,Od,Sd} 0 {8,{D,T}} - -R9_SDSSSD -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,D} -3 *6 {R!H} 0 {2,D}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *8 {R!H} 0 {4,S}, {6,S} -6 *9 {R!H} 0 {5,S}, {7,D} -7 *5 {R!H} 0 {6,D}, {8,S} -8 *2 {Cd,Ct,CO} 0 {7,S}, {9,{D,T}} -9 *3 {Cd,Ct,Od,Sd} 0 {8,{D,T}} - -multiplebond_intra -1 *2 {Cd,Ct,CO} 0 {2,{D,T}} -2 *3 {Cd,Ct,Od,Sd} 0 {1,{D,T}} - -doublebond_intra -1 *2 Cd 0 {2,D} -2 *3 Cd 0 {1,D} - -doublebond_intra_pri -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D} -3 H 0 {1,S} - -doublebond_intra_pri_2H -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} - -doublebond_intra_pri_HNd -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 {Cs,O,S} 0 {2,S} - -doublebond_intra_pri_HDe -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_pri_HCt -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 Ct 0 {2,S} - -doublebond_intra_pri_HCd -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 Cd 0 {2,S} - -doublebond_intra_pri_NdNd -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 H 0 {1,S} -4 {Cs,O,S} 0 {2,S} -5 {Cs,O,S} 0 {2,S} - -doublebond_intra_pri_NdDe -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 H 0 {1,S} -4 {Cs,O,S} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_pri_NdCd -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 H 0 {1,S} -4 {Cs,O,S} 0 {2,S} -5 Cd 0 {2,S} - -doublebond_intra_pri_NdCt -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 H 0 {1,S} -4 {Cs,O,S} 0 {2,S} -5 Ct 0 {2,S} - -doublebond_intra_pri_DeDe -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_secNd -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D} -3 {Cs,O,S} 0 {1,S} - -doublebond_intra_secNd_2H -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cs,O,S} 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} - -doublebond_intra_secNd_HNd -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cs,O,S} 0 {1,S} -4 H 0 {2,S} -5 {Cs,O,S} 0 {2,S} - -doublebond_intra_secNd_HDe -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cs,O,S} 0 {1,S} -4 H 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_secNd_HCd -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cs,O,S} 0 {1,S} -4 H 0 {2,S} -5 Cd 0 {2,S} - -doublebond_intra_secNd_HCt -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cs,O,S} 0 {1,S} -4 H 0 {2,S} -5 Ct 0 {2,S} - -doublebond_intra_secNd_NdNd -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {2,S} -5 {Cs,O,S} 0 {2,S} - -doublebond_intra_secNd_NdDe -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_secNd_NdCd -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {2,S} -5 Cd 0 {2,S} - -doublebond_intra_secNd_NdCt -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {2,S} -5 Ct 0 {2,S} - - -doublebond_intra_secNd_DeDe -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cs,O,S} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_secDe -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -doublebond_intra_secDe_2H -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} - -doublebond_intra_secDe_HNd -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {2,S} -5 {Cs,O,S} 0 {2,S} - -doublebond_intra_secDe_HDe -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_secDe_HCd -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {2,S} -5 Cd 0 {2,S} - -doublebond_intra_secDe_HCt -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {2,S} -5 Ct 0 {2,S} - -doublebond_intra_secDe_NdNd -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O,S} 0 {2,S} -5 {Cs,O,S} 0 {2,S} - -doublebond_intra_secDe_NdDe -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O,S} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_secDe_NdCd -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O,S} 0 {2,S} -5 Cd 0 {2,S} - -doublebond_intra_secDe_NdCt -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O,S} 0 {2,S} -5 Ct 0 {2,S} - -doublebond_intra_secDe_DeDe -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -triplebond_intra -1 *2 Ct 0 {2,T} -2 *3 Ct 0 {1,T} - -triplebond_intra_H -1 *2 Ct 0 {2,T} -2 *3 Ct 0 {1,T}, {3,S} -3 H 0 {2,S} - -triplebond_intra_Nd -1 *2 Ct 0 {2,T} -2 *3 Ct 0 {1,T}, {3,S} -3 {Cs,O,S} 0 {2,S} - -triplebond_intra_De -1 *2 Ct 0 {2,T} -2 *3 Ct 0 {1,T}, {3,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} - -carbonyl_intra -1 *2 CO 0 {2,D} -2 *3 O 0 {1,D} - -carbonyl_intra_H -1 *2 CO 0 {2,D} {3,S} -2 *3 O 0 {1,D} -3 H 0 {1,S} - -carbonyl_intra_Nd -1 *2 CO 0 {2,D} {3,S} -2 *3 O 0 {1,D} -3 {Cs,O,S} 0 {1,S} - -carbonyl_intra_De -1 *2 CO 0 {2,D} {3,S} -2 *3 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -thiyl_intra -1 *2 Cd 0 {2,D} -2 *3 Sd 0 {1,D} - -thiyl_intra_H -1 *2 Cd 0 {2,D} {3,S} -2 *3 Sd 0 {1,D} -3 H 0 {1,S} - -thiyl_intra_Nd -1 *2 Cd 0 {2,D} {3,S} -2 *3 Sd 0 {1,D} -3 {Cs,O,S} 0 {1,S} - -thiyl_intra_De -1 *2 Cd 0 {2,D} {3,S} -2 *3 Sd 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -radadd_intra -1 *1 {R!H} 1 - -radadd_intra_cs -1 *1 Cs 1 - -radadd_intra_cs2H -1 *1 Cs 1 {2,S}, {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -radadd_intra_csHNd -1 *1 Cs 1 {2,S}, {3,S} -2 H 0 {1,S} -3 {Cs,O,S} 0 {1,S} - -radadd_intra_csHDe -1 *1 Cs 1 {2,S}, {3,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -radadd_intra_csHCt -1 *1 Cs 1 {2,S}, {3,S} -2 H 0 {1,S} -3 Ct 0 {1,S} - -radadd_intra_csHCd -1 *1 Cs 1 {2,S}, {3,S} -2 H 0 {1,S} -3 Cd 0 {1,S} - -radadd_intra_csNdNd -1 *1 Cs 1 {2,S}, {3,S} -2 {Cs,O,S} 0 {1,S} -3 {Cs,O,S} 0 {1,S} - -radadd_intra_csNdDe -1 *1 Cs 1 {2,S}, {3,S} -2 {Cs,O,S} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -radadd_intra_csNdCt -1 *1 Cs 1 {2,S}, {3,S} -2 {Cs,O,S} 0 {1,S} -3 Ct 0 {1,S} - -radadd_intra_csNdCd -1 *1 Cs 1 {2,S}, {3,S} -2 {Cs,O,S} 0 {1,S} -3 Cd 0 {1,S} - -radadd_intra_csDeDe -1 *1 Cs 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -radadd_intra_cdsingle -1 *1 Cd 1 {2,S} -2 R 0 {1,S} - -radadd_intra_cdsingleH -1 *1 Cd 1 {2,S} -2 H 0 {1,S} - -radadd_intra_cdsingleNd -1 *1 Cd 1 {2,S} -2 {Cs,O,S} 0 {1,S} - -radadd_intra_cdsingleDe -1 *1 Cd 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -radadd_intra_cddouble -1 *1 Cd 1 {2,D} -2 Cd 0 {1,D} - -radadd_intra_CO -1 *1 CO 1 {2,D} -2 O 0 {1,D} - -radadd_intra_O -1 *1 O 1 - -radadd_intra_S -1 *1 S 1 - -radadd_intra_Cb -1 *1 Cb 1 - -radadd_intra_Ct -1 *1 Ct 1 {2,T} -2 Ct 0 {1,T} - - - diff --git a/output/RMG_database/kinetics_groups/Intra_R_Add_Endocyclic/forbiddenGroups.txt b/output/RMG_database/kinetics_groups/Intra_R_Add_Endocyclic/forbiddenGroups.txt deleted file mode 100644 index 1ddd158813..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_R_Add_Endocyclic/forbiddenGroups.txt +++ /dev/null @@ -1,10 +0,0 @@ -bond31rad -1 *3 R!H 1 {2,{S,D}} -2 *1 R!H 1 {1,{S,D}} - -bond31 -1 *3 R!H 0 {2,{S,D}} -2 *1 R!H 1 {1,{S,D}} - - - diff --git a/output/RMG_database/kinetics_groups/Intra_R_Add_Endocyclic/rateLibrary.txt b/output/RMG_database/kinetics_groups/Intra_R_Add_Endocyclic/rateLibrary.txt deleted file mode 100644 index bf70505fee..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_R_Add_Endocyclic/rateLibrary.txt +++ /dev/null @@ -1,710 +0,0 @@ -// rate library for f29: intra radical addition to form endocyclic radical -// original from rate library.txt, CDW 10/20/2002 - -// JS, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// f29 intra_radical_addition_form_endocyclic_radical -// JS, add 144., a dummy number for debugging, need to be deleted!!!!!!!!!!!!!!!! - -// Rn multiplebond_intra radadd_intra Temp. A n a E0 DA Dn Da DE0 Rank -809. Rn multiplebond_intra radadd_intra 300-1500 1E+08 0 0 5 0 0 0 0 0 -// These estimates are probably HO and should not be used -//810. R5_SS_D doublebond_intra_pri_2H radadd_intra_cs2H 300-1500 1.22E+08 1.05 0 15.82 0 0 0 0 2 -//811. R6_SSS_D doublebond_intra_pri_2H radadd_intra_cs2H 300-1500 1.00E+08 0.855 0 5.9 0 0 0 0 2 -//added by sandeep after performing simulations on 13HXD system, modified by AG Vandeputte October 29th 2014 -812. R5_SD_D doublebond_intra_pri_2H radadd_intra_cs2H 300-1600 1.02676E+11 0.556649726 0 37.54090546 0 0 0 0 2 -//very crude rough guess -813. R3_D doublebond_intra_pri_HDe radadd_intra_cs2H 300-1600 1.05E+08 1.192 0 54 0 0 0 0 5 -814. R3_T triplebond_intra_H radadd_intra_cs2H 300-1600 1.05E+08 1.192 0 54 0 0 0 0 5 -//815. R6_SSS_D doublebond_intra_pri_NdNd radadd_intra_cs 300-1500 1.00E+10 0 0 50.9 0 0 0 0 2 -// A.G. Vandeputte flagged out as it does not match the reaction template any longer -//816. R5_DS_allenic_D doublebond_intra_secDe_2H radadd_intra_cdsingleH 298-3000 2.82E+11 0.12 0 14.82 0 0 0 0 2 RRHO, CBS-QB3 treatment of H2C=C=CH-CH=CH. cyclization by gmagoon - -// A.G. Vandeputte -// Better estimates for a few endocyclic additions -// BMK/cbsb7, HO (1D HR for reference reaction), Group additivity, initial guess for TS and reactants, symm reaction - -900 R6_SSS_D doublebond_intra_pri_2H radadd_intra_cs2H 300-1500 3.06E+08 0.19 0 9.47 0 0 0 0 0 Aan Vandeputte small GA method -901 R6_SSS_D doublebond_intra_pri_2H radadd_intra_csHNd 300-1500 2.21E+09 0.19 0 9.46 0 0 0 0 0 Aan Vandeputte small GA method -902 R6_SSS_D doublebond_intra_pri_2H radadd_intra_csNdNd 300-1500 5.65E+08 0.19 0 9.22 0 0 0 0 0 Aan Vandeputte small GA method -903 R6_SSS_D doublebond_intra_pri_2H radadd_intra_csHCd 300-1500 2.59E+09 0.19 0 16.22 0 0 0 0 0 Aan Vandeputte small GA method -904 R6_SSS_D doublebond_intra_pri_2H radadd_intra_csNdCd 300-1500 7.33E+08 0.19 0 16.94 0 0 0 0 0 Aan Vandeputte small GA method -905 R6_SSS_D doublebond_intra_pri_2H radadd_intra_csHCt 300-1500 1.29E+09 0.19 0 13.12 0 0 0 0 0 Aan Vandeputte small GA method -906 R6_SSS_D doublebond_intra_pri_2H radadd_intra_csNdCt 300-1500 1.16E+09 0.19 0 14.07 0 0 0 0 0 Aan Vandeputte small GA method -907 R6_SSS_D doublebond_intra_pri_2H radadd_intra_cdsingleH 300-1500 4.15E+10 0.19 0 4.70 0 0 0 0 0 Aan Vandeputte small GA method -908 R6_SSS_D doublebond_intra_pri_HNd radadd_intra_cs2H 300-1500 1.91E+09 0.19 0 9.80 0 0 0 0 0 Aan Vandeputte small GA method -909 R6_SSS_D doublebond_intra_pri_HNd radadd_intra_csHNd 300-1500 1.38E+10 0.19 0 9.78 0 0 0 0 0 Aan Vandeputte small GA method -910 R6_SSS_D doublebond_intra_pri_HNd radadd_intra_csNdNd 300-1500 3.54E+09 0.19 0 9.55 0 0 0 0 0 Aan Vandeputte small GA method -911 R6_SSS_D doublebond_intra_pri_HNd radadd_intra_csHCd 300-1500 1.62E+10 0.19 0 16.54 0 0 0 0 0 Aan Vandeputte small GA method -912 R6_SSS_D doublebond_intra_pri_HNd radadd_intra_csNdCd 300-1500 4.58E+09 0.19 0 17.27 0 0 0 0 0 Aan Vandeputte small GA method -913 R6_SSS_D doublebond_intra_pri_HNd radadd_intra_csHCt 300-1500 8.06E+09 0.19 0 13.45 0 0 0 0 0 Aan Vandeputte small GA method -914 R6_SSS_D doublebond_intra_pri_HNd radadd_intra_csNdCt 300-1500 7.25E+09 0.19 0 14.39 0 0 0 0 0 Aan Vandeputte small GA method -915 R6_SSS_D doublebond_intra_pri_HNd radadd_intra_cdsingleH 300-1500 2.60E+11 0.19 0 5.02 0 0 0 0 0 Aan Vandeputte small GA method -916 R6_SSS_D doublebond_intra_pri_NdNd radadd_intra_cs2H 300-1500 4.18E+08 0.19 0 11.57 0 0 0 0 0 Aan Vandeputte small GA method -917 R6_SSS_D doublebond_intra_pri_NdNd radadd_intra_csHNd 300-1500 3.03E+09 0.19 0 11.55 0 0 0 0 0 Aan Vandeputte small GA method -918 R6_SSS_D doublebond_intra_pri_NdNd radadd_intra_csNdNd 300-1500 7.73E+08 0.19 0 11.31 0 0 0 0 0 Aan Vandeputte small GA method -919 R6_SSS_D doublebond_intra_pri_NdNd radadd_intra_csHCd 300-1500 3.54E+09 0.19 0 18.31 0 0 0 0 0 Aan Vandeputte small GA method -920 R6_SSS_D doublebond_intra_pri_NdNd radadd_intra_csNdCd 300-1500 1.00E+09 0.19 0 19.03 0 0 0 0 0 Aan Vandeputte small GA method -921 R6_SSS_D doublebond_intra_pri_NdNd radadd_intra_csHCt 300-1500 1.76E+09 0.19 0 15.21 0 0 0 0 0 Aan Vandeputte small GA method -922 R6_SSS_D doublebond_intra_pri_NdNd radadd_intra_csNdCt 300-1500 1.58E+09 0.19 0 16.16 0 0 0 0 0 Aan Vandeputte small GA method -923 R6_SSS_D doublebond_intra_pri_NdNd radadd_intra_cdsingleH 300-1500 5.68E+10 0.19 0 6.79 0 0 0 0 0 Aan Vandeputte small GA method -924 R6_SSS_D doublebond_intra_pri_HCd radadd_intra_cs2H 300-1500 5.44E+11 0.19 0 7.05 0 0 0 0 0 Aan Vandeputte small GA method -925 R6_SSS_D doublebond_intra_pri_HCd radadd_intra_csHNd 300-1500 3.94E+12 0.19 0 7.03 0 0 0 0 0 Aan Vandeputte small GA method -926 R6_SSS_D doublebond_intra_pri_HCd radadd_intra_csNdNd 300-1500 1.01E+12 0.19 0 6.80 0 0 0 0 0 Aan Vandeputte small GA method -927 R6_SSS_D doublebond_intra_pri_HCd radadd_intra_csHCd 300-1500 4.60E+12 0.19 0 13.79 0 0 0 0 0 Aan Vandeputte small GA method -928 R6_SSS_D doublebond_intra_pri_HCd radadd_intra_csNdCd 300-1500 1.30E+12 0.19 0 14.52 0 0 0 0 0 Aan Vandeputte small GA method -929 R6_SSS_D doublebond_intra_pri_HCd radadd_intra_csHCt 300-1500 2.29E+12 0.19 0 10.70 0 0 0 0 0 Aan Vandeputte small GA method -930 R6_SSS_D doublebond_intra_pri_HCd radadd_intra_csNdCt 300-1500 2.06E+12 0.19 0 11.65 0 0 0 0 0 Aan Vandeputte small GA method -931 R6_SSS_D doublebond_intra_pri_HCd radadd_intra_cdsingleH 300-1500 7.39E+13 0.19 0 2.27 0 0 0 0 0 Aan Vandeputte small GA method -932 R6_SSS_D doublebond_intra_pri_NdCd radadd_intra_cs2H 300-1500 4.06E+08 0.19 0 13.09 0 0 0 0 0 Aan Vandeputte small GA method -933 R6_SSS_D doublebond_intra_pri_NdCd radadd_intra_csHNd 300-1500 2.94E+09 0.19 0 13.07 0 0 0 0 0 Aan Vandeputte small GA method -934 R6_SSS_D doublebond_intra_pri_NdCd radadd_intra_csNdNd 300-1500 7.50E+08 0.19 0 12.83 0 0 0 0 0 Aan Vandeputte small GA method -935 R6_SSS_D doublebond_intra_pri_NdCd radadd_intra_csHCd 300-1500 3.43E+09 0.19 0 19.83 0 0 0 0 0 Aan Vandeputte small GA method -936 R6_SSS_D doublebond_intra_pri_NdCd radadd_intra_csNdCd 300-1500 9.72E+08 0.19 0 20.56 0 0 0 0 0 Aan Vandeputte small GA method -937 R6_SSS_D doublebond_intra_pri_NdCd radadd_intra_csHCt 300-1500 1.71E+09 0.19 0 16.74 0 0 0 0 0 Aan Vandeputte small GA method -938 R6_SSS_D doublebond_intra_pri_NdCd radadd_intra_csNdCt 300-1500 1.54E+09 0.19 0 17.68 0 0 0 0 0 Aan Vandeputte small GA method -939 R6_SSS_D doublebond_intra_pri_NdCd radadd_intra_cdsingleH 300-1500 5.51E+10 0.19 0 8.31 0 0 0 0 0 Aan Vandeputte small GA method -940 R6_SSS_D doublebond_intra_pri_HCt radadd_intra_cs2H 300-1500 5.44E+11 0.19 0 7.05 0 0 0 0 0 Aan Vandeputte small GA method -941 R6_SSS_D doublebond_intra_pri_HCt radadd_intra_csHNd 300-1500 3.94E+12 0.19 0 7.03 0 0 0 0 0 Aan Vandeputte small GA method -942 R6_SSS_D doublebond_intra_pri_HCt radadd_intra_csNdNd 300-1500 1.01E+12 0.19 0 6.80 0 0 0 0 0 Aan Vandeputte small GA method -943 R6_SSS_D doublebond_intra_pri_HCt radadd_intra_csHCd 300-1500 4.60E+12 0.19 0 13.79 0 0 0 0 0 Aan Vandeputte small GA method -944 R6_SSS_D doublebond_intra_pri_HCt radadd_intra_csNdCd 300-1500 1.30E+12 0.19 0 14.52 0 0 0 0 0 Aan Vandeputte small GA method -945 R6_SSS_D doublebond_intra_pri_HCt radadd_intra_csHCt 300-1500 2.29E+12 0.19 0 10.70 0 0 0 0 0 Aan Vandeputte small GA method -946 R6_SSS_D doublebond_intra_pri_HCt radadd_intra_csNdCt 300-1500 2.06E+12 0.19 0 11.64 0 0 0 0 0 Aan Vandeputte small GA method -947 R6_SSS_D doublebond_intra_pri_HCt radadd_intra_cdsingleH 300-1500 7.39E+13 0.19 0 2.27 0 0 0 0 0 Aan Vandeputte small GA method -948 R6_SSS_D doublebond_intra_pri_NdCt radadd_intra_cs2H 300-1500 4.02E+10 0.19 0 1.06 0 0 0 0 0 Aan Vandeputte small GA method -949 R6_SSS_D doublebond_intra_pri_NdCt radadd_intra_csHNd 300-1500 2.91E+11 0.19 0 1.04 0 0 0 0 0 Aan Vandeputte small GA method -950 R6_SSS_D doublebond_intra_pri_NdCt radadd_intra_csNdNd 300-1500 7.43E+10 0.19 0 0.81 0 0 0 0 0 Aan Vandeputte small GA method -951 R6_SSS_D doublebond_intra_pri_NdCt radadd_intra_csHCd 300-1500 3.40E+11 0.19 0 7.80 0 0 0 0 0 Aan Vandeputte small GA method -952 R6_SSS_D doublebond_intra_pri_NdCt radadd_intra_csNdCd 300-1500 9.62E+10 0.19 0 8.53 0 0 0 0 0 Aan Vandeputte small GA method -953 R6_SSS_D doublebond_intra_pri_NdCt radadd_intra_csHCt 300-1500 1.69E+11 0.19 0 4.71 0 0 0 0 0 Aan Vandeputte small GA method -954 R6_SSS_D doublebond_intra_pri_NdCt radadd_intra_csNdCt 300-1500 1.52E+11 0.19 0 5.65 0 0 0 0 0 Aan Vandeputte small GA method -955 R6_SSS_D doublebond_intra_pri_NdCt radadd_intra_cdsingleH 300-1500 5.46E+12 0.19 0 -3.72 0 0 0 0 0 Aan Vandeputte small GA method -956 R4_S_D doublebond_intra_pri_2H radadd_intra_cs2H 300-1500 1.83E+10 0.19 0 32.31 0 0 0 0 0 Aan Vandeputte small GA method -957 R4_S_D doublebond_intra_pri_2H radadd_intra_csHNd 300-1500 1.32E+11 0.19 0 32.29 0 0 0 0 0 Aan Vandeputte small GA method -958 R4_S_D doublebond_intra_pri_2H radadd_intra_csNdNd 300-1500 3.37E+10 0.19 0 32.05 0 0 0 0 0 Aan Vandeputte small GA method -959 R4_S_D doublebond_intra_pri_2H radadd_intra_csHCd 300-1500 1.55E+11 0.19 0 39.05 0 0 0 0 0 Aan Vandeputte small GA method -960 R4_S_D doublebond_intra_pri_2H radadd_intra_csNdCd 300-1500 4.37E+10 0.19 0 39.78 0 0 0 0 0 Aan Vandeputte small GA method -961 R4_S_D doublebond_intra_pri_2H radadd_intra_csHCt 300-1500 7.69E+10 0.19 0 35.96 0 0 0 0 0 Aan Vandeputte small GA method -962 R4_S_D doublebond_intra_pri_2H radadd_intra_csNdCt 300-1500 6.92E+10 0.19 0 36.90 0 0 0 0 0 Aan Vandeputte small GA method -963 R4_S_D doublebond_intra_pri_2H radadd_intra_cdsingleH 300-1500 2.48E+12 0.19 0 27.53 0 0 0 0 0 Aan Vandeputte small GA method -964 R4_S_D doublebond_intra_pri_HNd radadd_intra_cs2H 300-1500 1.14E+11 0.19 0 32.64 0 0 0 0 0 Aan Vandeputte small GA method -965 R4_S_D doublebond_intra_pri_HNd radadd_intra_csHNd 300-1500 8.27E+11 0.19 0 32.62 0 0 0 0 0 Aan Vandeputte small GA method -966 R4_S_D doublebond_intra_pri_HNd radadd_intra_csNdNd 300-1500 2.11E+11 0.19 0 32.38 0 0 0 0 0 Aan Vandeputte small GA method -967 R4_S_D doublebond_intra_pri_HNd radadd_intra_csHCd 300-1500 9.66E+11 0.19 0 39.38 0 0 0 0 0 Aan Vandeputte small GA method -968 R4_S_D doublebond_intra_pri_HNd radadd_intra_csNdCd 300-1500 2.74E+11 0.19 0 40.11 0 0 0 0 0 Aan Vandeputte small GA method -969 R4_S_D doublebond_intra_pri_HNd radadd_intra_csHCt 300-1500 4.81E+11 0.19 0 36.29 0 0 0 0 0 Aan Vandeputte small GA method -970 R4_S_D doublebond_intra_pri_HNd radadd_intra_csNdCt 300-1500 4.33E+11 0.19 0 37.23 0 0 0 0 0 Aan Vandeputte small GA method -971 R4_S_D doublebond_intra_pri_HNd radadd_intra_cdsingleH 300-1500 1.55E+13 0.19 0 27.86 0 0 0 0 0 Aan Vandeputte small GA method -972 R4_S_D doublebond_intra_pri_NdNd radadd_intra_cs2H 300-1500 2.49E+10 0.19 0 34.40 0 0 0 0 0 Aan Vandeputte small GA method -973 R4_S_D doublebond_intra_pri_NdNd radadd_intra_csHNd 300-1500 1.81E+11 0.19 0 34.38 0 0 0 0 0 Aan Vandeputte small GA method -974 R4_S_D doublebond_intra_pri_NdNd radadd_intra_csNdNd 300-1500 4.61E+10 0.19 0 34.15 0 0 0 0 0 Aan Vandeputte small GA method -975 R4_S_D doublebond_intra_pri_NdNd radadd_intra_csHCd 300-1500 2.11E+11 0.19 0 41.14 0 0 0 0 0 Aan Vandeputte small GA method -976 R4_S_D doublebond_intra_pri_NdNd radadd_intra_csNdCd 300-1500 5.98E+10 0.19 0 41.87 0 0 0 0 0 Aan Vandeputte small GA method -977 R4_S_D doublebond_intra_pri_NdNd radadd_intra_csHCt 300-1500 1.05E+11 0.19 0 38.05 0 0 0 0 0 Aan Vandeputte small GA method -978 R4_S_D doublebond_intra_pri_NdNd radadd_intra_csNdCt 300-1500 9.46E+10 0.19 0 38.99 0 0 0 0 0 Aan Vandeputte small GA method -979 R4_S_D doublebond_intra_pri_NdNd radadd_intra_cdsingleH 300-1500 3.39E+12 0.19 0 29.62 0 0 0 0 0 Aan Vandeputte small GA method -980 R4_S_D doublebond_intra_pri_HCd radadd_intra_cs2H 300-1500 3.24E+13 0.19 0 29.89 0 0 0 0 0 Aan Vandeputte small GA method -981 R4_S_D doublebond_intra_pri_HCd radadd_intra_csHNd 300-1500 2.35E+14 0.19 0 29.87 0 0 0 0 0 Aan Vandeputte small GA method -982 R4_S_D doublebond_intra_pri_HCd radadd_intra_csNdNd 300-1500 6.00E+13 0.19 0 29.63 0 0 0 0 0 Aan Vandeputte small GA method -983 R4_S_D doublebond_intra_pri_HCd radadd_intra_csHCd 300-1500 2.75E+14 0.19 0 36.63 0 0 0 0 0 Aan Vandeputte small GA method -984 R4_S_D doublebond_intra_pri_HCd radadd_intra_csNdCd 300-1500 7.78E+13 0.19 0 37.36 0 0 0 0 0 Aan Vandeputte small GA method -985 R4_S_D doublebond_intra_pri_HCd radadd_intra_csHCt 300-1500 1.37E+14 0.19 0 33.54 0 0 0 0 0 Aan Vandeputte small GA method -986 R4_S_D doublebond_intra_pri_HCd radadd_intra_csNdCt 300-1500 1.23E+14 0.19 0 34.48 0 0 0 0 0 Aan Vandeputte small GA method -987 R4_S_D doublebond_intra_pri_HCd radadd_intra_cdsingleH 300-1500 4.41E+15 0.19 0 25.11 0 0 0 0 0 Aan Vandeputte small GA method -988 R4_S_D doublebond_intra_pri_NdCd radadd_intra_cs2H 300-1500 2.42E+10 0.19 0 35.93 0 0 0 0 0 Aan Vandeputte small GA method -989 R4_S_D doublebond_intra_pri_NdCd radadd_intra_csHNd 300-1500 1.75E+11 0.19 0 35.91 0 0 0 0 0 Aan Vandeputte small GA method -990 R4_S_D doublebond_intra_pri_NdCd radadd_intra_csNdNd 300-1500 4.48E+10 0.19 0 35.67 0 0 0 0 0 Aan Vandeputte small GA method -991 R4_S_D doublebond_intra_pri_NdCd radadd_intra_csHCd 300-1500 2.05E+11 0.19 0 42.67 0 0 0 0 0 Aan Vandeputte small GA method -992 R4_S_D doublebond_intra_pri_NdCd radadd_intra_csNdCd 300-1500 5.80E+10 0.19 0 43.40 0 0 0 0 0 Aan Vandeputte small GA method -993 R4_S_D doublebond_intra_pri_NdCd radadd_intra_csHCt 300-1500 1.02E+11 0.19 0 39.58 0 0 0 0 0 Aan Vandeputte small GA method -994 R4_S_D doublebond_intra_pri_NdCd radadd_intra_csNdCt 300-1500 9.18E+10 0.19 0 40.52 0 0 0 0 0 Aan Vandeputte small GA method -995 R4_S_D doublebond_intra_pri_NdCd radadd_intra_cdsingleH 300-1500 3.29E+12 0.19 0 31.15 0 0 0 0 0 Aan Vandeputte small GA method -996 R4_S_D doublebond_intra_pri_HCt radadd_intra_cs2H 300-1500 3.24E+13 0.19 0 29.89 0 0 0 0 0 Aan Vandeputte small GA method -997 R4_S_D doublebond_intra_pri_HCt radadd_intra_csHNd 300-1500 2.35E+14 0.19 0 29.87 0 0 0 0 0 Aan Vandeputte small GA method -998 R4_S_D doublebond_intra_pri_HCt radadd_intra_csNdNd 300-1500 6.00E+13 0.19 0 29.63 0 0 0 0 0 Aan Vandeputte small GA method -999 R4_S_D doublebond_intra_pri_HCt radadd_intra_csHCd 300-1500 2.75E+14 0.19 0 36.63 0 0 0 0 0 Aan Vandeputte small GA method -1000 R4_S_D doublebond_intra_pri_HCt radadd_intra_csNdCd 300-1500 7.78E+13 0.19 0 37.36 0 0 0 0 0 Aan Vandeputte small GA method -1001 R4_S_D doublebond_intra_pri_HCt radadd_intra_csHCt 300-1500 1.37E+14 0.19 0 33.54 0 0 0 0 0 Aan Vandeputte small GA method -1002 R4_S_D doublebond_intra_pri_HCt radadd_intra_csNdCt 300-1500 1.23E+14 0.19 0 34.48 0 0 0 0 0 Aan Vandeputte small GA method -1003 R4_S_D doublebond_intra_pri_HCt radadd_intra_cdsingleH 300-1500 4.41E+15 0.19 0 25.11 0 0 0 0 0 Aan Vandeputte small GA method -1004 R4_S_D doublebond_intra_pri_NdCt radadd_intra_cs2H 300-1500 2.40E+12 0.19 0 23.90 0 0 0 0 0 Aan Vandeputte small GA method -1005 R4_S_D doublebond_intra_pri_NdCt radadd_intra_csHNd 300-1500 1.74E+13 0.19 0 23.88 0 0 0 0 0 Aan Vandeputte small GA method -1006 R4_S_D doublebond_intra_pri_NdCt radadd_intra_csNdNd 300-1500 4.43E+12 0.19 0 23.64 0 0 0 0 0 Aan Vandeputte small GA method -1007 R4_S_D doublebond_intra_pri_NdCt radadd_intra_csHCd 300-1500 2.03E+13 0.19 0 30.64 0 0 0 0 0 Aan Vandeputte small GA method -1008 R4_S_D doublebond_intra_pri_NdCt radadd_intra_csNdCd 300-1500 5.75E+12 0.19 0 31.37 0 0 0 0 0 Aan Vandeputte small GA method -1009 R4_S_D doublebond_intra_pri_NdCt radadd_intra_csHCt 300-1500 1.01E+13 0.19 0 27.55 0 0 0 0 0 Aan Vandeputte small GA method -1010 R4_S_D doublebond_intra_pri_NdCt radadd_intra_csNdCt 300-1500 9.10E+12 0.19 0 28.49 0 0 0 0 0 Aan Vandeputte small GA method -1011 R4_S_D doublebond_intra_pri_NdCt radadd_intra_cdsingleH 300-1500 3.26E+14 0.19 0 19.12 0 0 0 0 0 Aan Vandeputte small GA method -1012 R5_SS_D doublebond_intra_pri_2H radadd_intra_cs2H 300-1500 4.86E+09 0.19 0 16.23 0 0 0 0 0 Aan Vandeputte small GA method -1013 R5_SS_D doublebond_intra_pri_2H radadd_intra_csHNd 300-1500 3.52E+10 0.19 0 16.21 0 0 0 0 0 Aan Vandeputte small GA method -1014 R5_SS_D doublebond_intra_pri_2H radadd_intra_csNdNd 300-1500 8.98E+09 0.19 0 15.97 0 0 0 0 0 Aan Vandeputte small GA method -1015 R5_SS_D doublebond_intra_pri_2H radadd_intra_csHCd 300-1500 4.11E+10 0.19 0 22.97 0 0 0 0 0 Aan Vandeputte small GA method -1016 R5_SS_D doublebond_intra_pri_2H radadd_intra_csNdCd 300-1500 1.16E+10 0.19 0 23.70 0 0 0 0 0 Aan Vandeputte small GA method -1017 R5_SS_D doublebond_intra_pri_2H radadd_intra_csHCt 300-1500 2.05E+10 0.19 0 19.88 0 0 0 0 0 Aan Vandeputte small GA method -1018 R5_SS_D doublebond_intra_pri_2H radadd_intra_csNdCt 300-1500 1.84E+10 0.19 0 20.82 0 0 0 0 0 Aan Vandeputte small GA method -1019 R5_SS_D doublebond_intra_pri_2H radadd_intra_cdsingleH 300-1500 6.60E+11 0.19 0 11.45 0 0 0 0 0 Aan Vandeputte small GA method -1020 R5_SS_D doublebond_intra_pri_HNd radadd_intra_cs2H 300-1500 3.04E+10 0.19 0 16.56 0 0 0 0 0 Aan Vandeputte small GA method -1021 R5_SS_D doublebond_intra_pri_HNd radadd_intra_csHNd 300-1500 2.20E+11 0.19 0 16.54 0 0 0 0 0 Aan Vandeputte small GA method -1022 R5_SS_D doublebond_intra_pri_HNd radadd_intra_csNdNd 300-1500 5.62E+10 0.19 0 16.30 0 0 0 0 0 Aan Vandeputte small GA method -1023 R5_SS_D doublebond_intra_pri_HNd radadd_intra_csHCd 300-1500 2.57E+11 0.19 0 23.30 0 0 0 0 0 Aan Vandeputte small GA method -1024 R5_SS_D doublebond_intra_pri_HNd radadd_intra_csNdCd 300-1500 7.28E+10 0.19 0 24.03 0 0 0 0 0 Aan Vandeputte small GA method -1025 R5_SS_D doublebond_intra_pri_HNd radadd_intra_csHCt 300-1500 1.28E+11 0.19 0 20.21 0 0 0 0 0 Aan Vandeputte small GA method -1026 R5_SS_D doublebond_intra_pri_HNd radadd_intra_csNdCt 300-1500 1.15E+11 0.19 0 21.15 0 0 0 0 0 Aan Vandeputte small GA method -1027 R5_SS_D doublebond_intra_pri_HNd radadd_intra_cdsingleH 300-1500 4.13E+12 0.19 0 11.78 0 0 0 0 0 Aan Vandeputte small GA method -1028 R5_SS_D doublebond_intra_pri_NdNd radadd_intra_cs2H 300-1500 6.64E+09 0.19 0 18.32 0 0 0 0 0 Aan Vandeputte small GA method -1029 R5_SS_D doublebond_intra_pri_NdNd radadd_intra_csHNd 300-1500 4.81E+10 0.19 0 18.30 0 0 0 0 0 Aan Vandeputte small GA method -1030 R5_SS_D doublebond_intra_pri_NdNd radadd_intra_csNdNd 300-1500 1.23E+10 0.19 0 18.06 0 0 0 0 0 Aan Vandeputte small GA method -1031 R5_SS_D doublebond_intra_pri_NdNd radadd_intra_csHCd 300-1500 5.62E+10 0.19 0 25.06 0 0 0 0 0 Aan Vandeputte small GA method -1032 R5_SS_D doublebond_intra_pri_NdNd radadd_intra_csNdCd 300-1500 1.59E+10 0.19 0 25.79 0 0 0 0 0 Aan Vandeputte small GA method -1033 R5_SS_D doublebond_intra_pri_NdNd radadd_intra_csHCt 300-1500 2.80E+10 0.19 0 21.97 0 0 0 0 0 Aan Vandeputte small GA method -1034 R5_SS_D doublebond_intra_pri_NdNd radadd_intra_csNdCt 300-1500 2.52E+10 0.19 0 22.91 0 0 0 0 0 Aan Vandeputte small GA method -1035 R5_SS_D doublebond_intra_pri_NdNd radadd_intra_cdsingleH 300-1500 9.02E+11 0.19 0 13.54 0 0 0 0 0 Aan Vandeputte small GA method -1036 R5_SS_D doublebond_intra_pri_HCd radadd_intra_cs2H 300-1500 8.64E+12 0.19 0 13.81 0 0 0 0 0 Aan Vandeputte small GA method -1037 R5_SS_D doublebond_intra_pri_HCd radadd_intra_csHNd 300-1500 6.26E+13 0.19 0 13.79 0 0 0 0 0 Aan Vandeputte small GA method -1038 R5_SS_D doublebond_intra_pri_HCd radadd_intra_csNdNd 300-1500 1.60E+13 0.19 0 13.55 0 0 0 0 0 Aan Vandeputte small GA method -1039 R5_SS_D doublebond_intra_pri_HCd radadd_intra_csHCd 300-1500 7.31E+13 0.19 0 20.55 0 0 0 0 0 Aan Vandeputte small GA method -1040 R5_SS_D doublebond_intra_pri_HCd radadd_intra_csNdCd 300-1500 2.07E+13 0.19 0 21.28 0 0 0 0 0 Aan Vandeputte small GA method -1041 R5_SS_D doublebond_intra_pri_HCd radadd_intra_csHCt 300-1500 3.64E+13 0.19 0 17.46 0 0 0 0 0 Aan Vandeputte small GA method -1042 R5_SS_D doublebond_intra_pri_HCd radadd_intra_csNdCt 300-1500 3.28E+13 0.19 0 18.40 0 0 0 0 0 Aan Vandeputte small GA method -1043 R5_SS_D doublebond_intra_pri_HCd radadd_intra_cdsingleH 300-1500 1.17E+15 0.19 0 9.03 0 0 0 0 0 Aan Vandeputte small GA method -1044 R5_SS_D doublebond_intra_pri_NdCd radadd_intra_cs2H 300-1500 6.45E+09 0.19 0 19.85 0 0 0 0 0 Aan Vandeputte small GA method -1045 R5_SS_D doublebond_intra_pri_NdCd radadd_intra_csHNd 300-1500 4.67E+10 0.19 0 19.83 0 0 0 0 0 Aan Vandeputte small GA method -1046 R5_SS_D doublebond_intra_pri_NdCd radadd_intra_csNdNd 300-1500 1.19E+10 0.19 0 19.59 0 0 0 0 0 Aan Vandeputte small GA method -1047 R5_SS_D doublebond_intra_pri_NdCd radadd_intra_csHCd 300-1500 5.46E+10 0.19 0 26.59 0 0 0 0 0 Aan Vandeputte small GA method -1048 R5_SS_D doublebond_intra_pri_NdCd radadd_intra_csNdCd 300-1500 1.54E+10 0.19 0 27.32 0 0 0 0 0 Aan Vandeputte small GA method -1049 R5_SS_D doublebond_intra_pri_NdCd radadd_intra_csHCt 300-1500 2.72E+10 0.19 0 23.50 0 0 0 0 0 Aan Vandeputte small GA method -1050 R5_SS_D doublebond_intra_pri_NdCd radadd_intra_csNdCt 300-1500 2.45E+10 0.19 0 24.44 0 0 0 0 0 Aan Vandeputte small GA method -1051 R5_SS_D doublebond_intra_pri_NdCd radadd_intra_cdsingleH 300-1500 8.76E+11 0.19 0 15.07 0 0 0 0 0 Aan Vandeputte small GA method -1052 R5_SS_D doublebond_intra_pri_HCt radadd_intra_cs2H 300-1500 8.64E+12 0.19 0 13.81 0 0 0 0 0 Aan Vandeputte small GA method -1053 R5_SS_D doublebond_intra_pri_HCt radadd_intra_csHNd 300-1500 6.26E+13 0.19 0 13.79 0 0 0 0 0 Aan Vandeputte small GA method -1054 R5_SS_D doublebond_intra_pri_HCt radadd_intra_csNdNd 300-1500 1.60E+13 0.19 0 13.55 0 0 0 0 0 Aan Vandeputte small GA method -1055 R5_SS_D doublebond_intra_pri_HCt radadd_intra_csHCd 300-1500 7.31E+13 0.19 0 20.55 0 0 0 0 0 Aan Vandeputte small GA method -1056 R5_SS_D doublebond_intra_pri_HCt radadd_intra_csNdCd 300-1500 2.07E+13 0.19 0 21.28 0 0 0 0 0 Aan Vandeputte small GA method -1057 R5_SS_D doublebond_intra_pri_HCt radadd_intra_csHCt 300-1500 3.64E+13 0.19 0 17.46 0 0 0 0 0 Aan Vandeputte small GA method -1058 R5_SS_D doublebond_intra_pri_HCt radadd_intra_csNdCt 300-1500 3.28E+13 0.19 0 18.40 0 0 0 0 0 Aan Vandeputte small GA method -1059 R5_SS_D doublebond_intra_pri_HCt radadd_intra_cdsingleH 300-1500 1.17E+15 0.19 0 9.03 0 0 0 0 0 Aan Vandeputte small GA method -1060 R5_SS_D doublebond_intra_pri_NdCt radadd_intra_cs2H 300-1500 6.38E+11 0.19 0 7.82 0 0 0 0 0 Aan Vandeputte small GA method -1061 R5_SS_D doublebond_intra_pri_NdCt radadd_intra_csHNd 300-1500 4.62E+12 0.19 0 7.80 0 0 0 0 0 Aan Vandeputte small GA method -1062 R5_SS_D doublebond_intra_pri_NdCt radadd_intra_csNdNd 300-1500 1.18E+12 0.19 0 7.56 0 0 0 0 0 Aan Vandeputte small GA method -1063 R5_SS_D doublebond_intra_pri_NdCt radadd_intra_csHCd 300-1500 5.40E+12 0.19 0 14.56 0 0 0 0 0 Aan Vandeputte small GA method -1064 R5_SS_D doublebond_intra_pri_NdCt radadd_intra_csNdCd 300-1500 1.53E+12 0.19 0 15.29 0 0 0 0 0 Aan Vandeputte small GA method -1065 R5_SS_D doublebond_intra_pri_NdCt radadd_intra_csHCt 300-1500 2.69E+12 0.19 0 11.47 0 0 0 0 0 Aan Vandeputte small GA method -1066 R5_SS_D doublebond_intra_pri_NdCt radadd_intra_csNdCt 300-1500 2.42E+12 0.19 0 12.41 0 0 0 0 0 Aan Vandeputte small GA method -1067 R5_SS_D doublebond_intra_pri_NdCt radadd_intra_cdsingleH 300-1500 8.67E+13 0.19 0 3.04 0 0 0 0 0 Aan Vandeputte small GA method -1068 R6_SMS_D doublebond_intra_pri_2H radadd_intra_cs2H 300-1500 1.31E+10 0.19 0 23.76 0 0 0 0 0 Aan Vandeputte small GA method -1069 R6_SMS_D doublebond_intra_pri_2H radadd_intra_csHNd 300-1500 9.46E+10 0.19 0 23.74 0 0 0 0 0 Aan Vandeputte small GA method -1070 R6_SMS_D doublebond_intra_pri_2H radadd_intra_csNdNd 300-1500 2.42E+10 0.19 0 23.50 0 0 0 0 0 Aan Vandeputte small GA method -1071 R6_SMS_D doublebond_intra_pri_2H radadd_intra_csHCd 300-1500 1.11E+11 0.19 0 30.50 0 0 0 0 0 Aan Vandeputte small GA method -1072 R6_SMS_D doublebond_intra_pri_2H radadd_intra_csNdCd 300-1500 3.13E+10 0.19 0 31.23 0 0 0 0 0 Aan Vandeputte small GA method -1073 R6_SMS_D doublebond_intra_pri_2H radadd_intra_csHCt 300-1500 5.51E+10 0.19 0 27.41 0 0 0 0 0 Aan Vandeputte small GA method -1074 R6_SMS_D doublebond_intra_pri_2H radadd_intra_csNdCt 300-1500 4.96E+10 0.19 0 28.35 0 0 0 0 0 Aan Vandeputte small GA method -1075 R6_SMS_D doublebond_intra_pri_2H radadd_intra_cdsingleH 300-1500 1.78E+12 0.19 0 18.98 0 0 0 0 0 Aan Vandeputte small GA method -1076 R6_SMS_D doublebond_intra_pri_HNd radadd_intra_cs2H 300-1500 8.17E+10 0.19 0 24.09 0 0 0 0 0 Aan Vandeputte small GA method -1077 R6_SMS_D doublebond_intra_pri_HNd radadd_intra_csHNd 300-1500 5.92E+11 0.19 0 24.07 0 0 0 0 0 Aan Vandeputte small GA method -1078 R6_SMS_D doublebond_intra_pri_HNd radadd_intra_csNdNd 300-1500 1.51E+11 0.19 0 23.83 0 0 0 0 0 Aan Vandeputte small GA method -1079 R6_SMS_D doublebond_intra_pri_HNd radadd_intra_csHCd 300-1500 6.92E+11 0.19 0 30.83 0 0 0 0 0 Aan Vandeputte small GA method -1080 R6_SMS_D doublebond_intra_pri_HNd radadd_intra_csNdCd 300-1500 1.96E+11 0.19 0 31.55 0 0 0 0 0 Aan Vandeputte small GA method -1081 R6_SMS_D doublebond_intra_pri_HNd radadd_intra_csHCt 300-1500 3.44E+11 0.19 0 27.73 0 0 0 0 0 Aan Vandeputte small GA method -1082 R6_SMS_D doublebond_intra_pri_HNd radadd_intra_csNdCt 300-1500 3.10E+11 0.19 0 28.68 0 0 0 0 0 Aan Vandeputte small GA method -1083 R6_SMS_D doublebond_intra_pri_HNd radadd_intra_cdsingleH 300-1500 1.11E+13 0.19 0 19.31 0 0 0 0 0 Aan Vandeputte small GA method -1084 R6_SMS_D doublebond_intra_pri_NdNd radadd_intra_cs2H 300-1500 1.79E+10 0.19 0 25.85 0 0 0 0 0 Aan Vandeputte small GA method -1085 R6_SMS_D doublebond_intra_pri_NdNd radadd_intra_csHNd 300-1500 1.29E+11 0.19 0 25.83 0 0 0 0 0 Aan Vandeputte small GA method -1086 R6_SMS_D doublebond_intra_pri_NdNd radadd_intra_csNdNd 300-1500 3.30E+10 0.19 0 25.59 0 0 0 0 0 Aan Vandeputte small GA method -1087 R6_SMS_D doublebond_intra_pri_NdNd radadd_intra_csHCd 300-1500 1.51E+11 0.19 0 32.59 0 0 0 0 0 Aan Vandeputte small GA method -1088 R6_SMS_D doublebond_intra_pri_NdNd radadd_intra_csNdCd 300-1500 4.28E+10 0.19 0 33.32 0 0 0 0 0 Aan Vandeputte small GA method -1089 R6_SMS_D doublebond_intra_pri_NdNd radadd_intra_csHCt 300-1500 7.53E+10 0.19 0 29.50 0 0 0 0 0 Aan Vandeputte small GA method -1090 R6_SMS_D doublebond_intra_pri_NdNd radadd_intra_csNdCt 300-1500 6.77E+10 0.19 0 30.44 0 0 0 0 0 Aan Vandeputte small GA method -1091 R6_SMS_D doublebond_intra_pri_NdNd radadd_intra_cdsingleH 300-1500 2.43E+12 0.19 0 21.07 0 0 0 0 0 Aan Vandeputte small GA method -1092 R6_SMS_D doublebond_intra_pri_HCd radadd_intra_cs2H 300-1500 2.32E+13 0.19 0 21.34 0 0 0 0 0 Aan Vandeputte small GA method -1093 R6_SMS_D doublebond_intra_pri_HCd radadd_intra_csHNd 300-1500 1.68E+14 0.19 0 21.32 0 0 0 0 0 Aan Vandeputte small GA method -1094 R6_SMS_D doublebond_intra_pri_HCd radadd_intra_csNdNd 300-1500 4.30E+13 0.19 0 21.08 0 0 0 0 0 Aan Vandeputte small GA method -1095 R6_SMS_D doublebond_intra_pri_HCd radadd_intra_csHCd 300-1500 1.97E+14 0.19 0 28.08 0 0 0 0 0 Aan Vandeputte small GA method -1096 R6_SMS_D doublebond_intra_pri_HCd radadd_intra_csNdCd 300-1500 5.57E+13 0.19 0 28.80 0 0 0 0 0 Aan Vandeputte small GA method -1097 R6_SMS_D doublebond_intra_pri_HCd radadd_intra_csHCt 300-1500 9.79E+13 0.19 0 24.98 0 0 0 0 0 Aan Vandeputte small GA method -1098 R6_SMS_D doublebond_intra_pri_HCd radadd_intra_csNdCt 300-1500 8.81E+13 0.19 0 25.93 0 0 0 0 0 Aan Vandeputte small GA method -1099 R6_SMS_D doublebond_intra_pri_HCd radadd_intra_cdsingleH 300-1500 3.16E+15 0.19 0 16.56 0 0 0 0 0 Aan Vandeputte small GA method -1100 R6_SMS_D doublebond_intra_pri_NdCd radadd_intra_cs2H 300-1500 1.73E+10 0.19 0 27.37 0 0 0 0 0 Aan Vandeputte small GA method -1101 R6_SMS_D doublebond_intra_pri_NdCd radadd_intra_csHNd 300-1500 1.26E+11 0.19 0 27.36 0 0 0 0 0 Aan Vandeputte small GA method -1102 R6_SMS_D doublebond_intra_pri_NdCd radadd_intra_csNdNd 300-1500 3.21E+10 0.19 0 27.12 0 0 0 0 0 Aan Vandeputte small GA method -1103 R6_SMS_D doublebond_intra_pri_NdCd radadd_intra_csHCd 300-1500 1.47E+11 0.19 0 34.12 0 0 0 0 0 Aan Vandeputte small GA method -1104 R6_SMS_D doublebond_intra_pri_NdCd radadd_intra_csNdCd 300-1500 4.15E+10 0.19 0 34.84 0 0 0 0 0 Aan Vandeputte small GA method -1105 R6_SMS_D doublebond_intra_pri_NdCd radadd_intra_csHCt 300-1500 7.31E+10 0.19 0 31.02 0 0 0 0 0 Aan Vandeputte small GA method -1106 R6_SMS_D doublebond_intra_pri_NdCd radadd_intra_csNdCt 300-1500 6.58E+10 0.19 0 31.97 0 0 0 0 0 Aan Vandeputte small GA method -1107 R6_SMS_D doublebond_intra_pri_NdCd radadd_intra_cdsingleH 300-1500 2.36E+12 0.19 0 22.60 0 0 0 0 0 Aan Vandeputte small GA method -1108 R6_SMS_D doublebond_intra_pri_HCt radadd_intra_cs2H 300-1500 2.32E+13 0.19 0 21.34 0 0 0 0 0 Aan Vandeputte small GA method -1109 R6_SMS_D doublebond_intra_pri_HCt radadd_intra_csHNd 300-1500 1.68E+14 0.19 0 21.32 0 0 0 0 0 Aan Vandeputte small GA method -1110 R6_SMS_D doublebond_intra_pri_HCt radadd_intra_csNdNd 300-1500 4.30E+13 0.19 0 21.08 0 0 0 0 0 Aan Vandeputte small GA method -1111 R6_SMS_D doublebond_intra_pri_HCt radadd_intra_csHCd 300-1500 1.97E+14 0.19 0 28.08 0 0 0 0 0 Aan Vandeputte small GA method -1112 R6_SMS_D doublebond_intra_pri_HCt radadd_intra_csNdCd 300-1500 5.57E+13 0.19 0 28.80 0 0 0 0 0 Aan Vandeputte small GA method -1113 R6_SMS_D doublebond_intra_pri_HCt radadd_intra_csHCt 300-1500 9.79E+13 0.19 0 24.98 0 0 0 0 0 Aan Vandeputte small GA method -1114 R6_SMS_D doublebond_intra_pri_HCt radadd_intra_csNdCt 300-1500 8.81E+13 0.19 0 25.93 0 0 0 0 0 Aan Vandeputte small GA method -1115 R6_SMS_D doublebond_intra_pri_HCt radadd_intra_cdsingleH 300-1500 3.16E+15 0.19 0 16.56 0 0 0 0 0 Aan Vandeputte small GA method -1116 R6_SMS_D doublebond_intra_pri_NdCt radadd_intra_cs2H 300-1500 1.72E+12 0.19 0 15.34 0 0 0 0 0 Aan Vandeputte small GA method -1117 R6_SMS_D doublebond_intra_pri_NdCt radadd_intra_csHNd 300-1500 1.24E+13 0.19 0 15.33 0 0 0 0 0 Aan Vandeputte small GA method -1118 R6_SMS_D doublebond_intra_pri_NdCt radadd_intra_csNdNd 300-1500 3.17E+12 0.19 0 15.09 0 0 0 0 0 Aan Vandeputte small GA method -1119 R6_SMS_D doublebond_intra_pri_NdCt radadd_intra_csHCd 300-1500 1.45E+13 0.19 0 22.09 0 0 0 0 0 Aan Vandeputte small GA method -1120 R6_SMS_D doublebond_intra_pri_NdCt radadd_intra_csNdCd 300-1500 4.11E+12 0.19 0 22.81 0 0 0 0 0 Aan Vandeputte small GA method -1121 R6_SMS_D doublebond_intra_pri_NdCt radadd_intra_csHCt 300-1500 7.23E+12 0.19 0 18.99 0 0 0 0 0 Aan Vandeputte small GA method -1122 R6_SMS_D doublebond_intra_pri_NdCt radadd_intra_csNdCt 300-1500 6.51E+12 0.19 0 19.94 0 0 0 0 0 Aan Vandeputte small GA method -1123 R6_SMS_D doublebond_intra_pri_NdCt radadd_intra_cdsingleH 300-1500 2.33E+14 0.19 0 10.57 0 0 0 0 0 Aan Vandeputte small GA method - -1124 R6_SSS_D doublebond_intra_secNd_2H radadd_intra_cs2H 300-1500 3.82E+08 0.19 0 9.07 0 0 0 0 0 Aan Vandeputte small GA method -1125 R6_SSS_D doublebond_intra_secNd_2H radadd_intra_csHNd 300-1500 2.77E+09 0.19 0 9.05 0 0 0 0 0 Aan Vandeputte small GA method -1126 R6_SSS_D doublebond_intra_secNd_2H radadd_intra_csNdNd 300-1500 7.07E+08 0.19 0 8.81 0 0 0 0 0 Aan Vandeputte small GA method -1127 R6_SSS_D doublebond_intra_secNd_2H radadd_intra_csHCd 300-1500 3.24E+09 0.19 0 15.81 0 0 0 0 0 Aan Vandeputte small GA method -1128 R6_SSS_D doublebond_intra_secNd_2H radadd_intra_csNdCd 300-1500 9.16E+08 0.19 0 16.54 0 0 0 0 0 Aan Vandeputte small GA method -1129 R6_SSS_D doublebond_intra_secNd_2H radadd_intra_csHCt 300-1500 1.61E+09 0.19 0 12.72 0 0 0 0 0 Aan Vandeputte small GA method -1130 R6_SSS_D doublebond_intra_secNd_2H radadd_intra_csNdCt 300-1500 1.45E+09 0.19 0 13.66 0 0 0 0 0 Aan Vandeputte small GA method -1131 R6_SSS_D doublebond_intra_secNd_2H radadd_intra_cdsingleH 300-1500 5.19E+10 0.19 0 4.29 0 0 0 0 0 Aan Vandeputte small GA method -1132 R6_SSS_D doublebond_intra_secNd_HNd radadd_intra_cs2H 300-1500 2.39E+09 0.19 0 9.40 0 0 0 0 0 Aan Vandeputte small GA method -1133 R6_SSS_D doublebond_intra_secNd_HNd radadd_intra_csHNd 300-1500 1.73E+10 0.19 0 9.38 0 0 0 0 0 Aan Vandeputte small GA method -1134 R6_SSS_D doublebond_intra_secNd_HNd radadd_intra_csNdNd 300-1500 4.42E+09 0.19 0 9.14 0 0 0 0 0 Aan Vandeputte small GA method -1135 R6_SSS_D doublebond_intra_secNd_HNd radadd_intra_csHCd 300-1500 2.02E+10 0.19 0 16.14 0 0 0 0 0 Aan Vandeputte small GA method -1136 R6_SSS_D doublebond_intra_secNd_HNd radadd_intra_csNdCd 300-1500 5.73E+09 0.19 0 16.87 0 0 0 0 0 Aan Vandeputte small GA method -1137 R6_SSS_D doublebond_intra_secNd_HNd radadd_intra_csHCt 300-1500 1.01E+10 0.19 0 13.04 0 0 0 0 0 Aan Vandeputte small GA method -1138 R6_SSS_D doublebond_intra_secNd_HNd radadd_intra_csNdCt 300-1500 9.07E+09 0.19 0 13.99 0 0 0 0 0 Aan Vandeputte small GA method -1139 R6_SSS_D doublebond_intra_secNd_HNd radadd_intra_cdsingleH 300-1500 3.25E+11 0.19 0 4.62 0 0 0 0 0 Aan Vandeputte small GA method -1140 R6_SSS_D doublebond_intra_secNd_NdNd radadd_intra_cs2H 300-1500 5.22E+08 0.19 0 11.16 0 0 0 0 0 Aan Vandeputte small GA method -1141 R6_SSS_D doublebond_intra_secNd_NdNd radadd_intra_csHNd 300-1500 3.78E+09 0.19 0 11.14 0 0 0 0 0 Aan Vandeputte small GA method -1142 R6_SSS_D doublebond_intra_secNd_NdNd radadd_intra_csNdNd 300-1500 9.66E+08 0.19 0 10.90 0 0 0 0 0 Aan Vandeputte small GA method -1143 R6_SSS_D doublebond_intra_secNd_NdNd radadd_intra_csHCd 300-1500 4.42E+09 0.19 0 17.90 0 0 0 0 0 Aan Vandeputte small GA method -1144 R6_SSS_D doublebond_intra_secNd_NdNd radadd_intra_csNdCd 300-1500 1.25E+09 0.19 0 18.63 0 0 0 0 0 Aan Vandeputte small GA method -1145 R6_SSS_D doublebond_intra_secNd_NdNd radadd_intra_csHCt 300-1500 2.20E+09 0.19 0 14.81 0 0 0 0 0 Aan Vandeputte small GA method -1146 R6_SSS_D doublebond_intra_secNd_NdNd radadd_intra_csNdCt 300-1500 1.98E+09 0.19 0 15.75 0 0 0 0 0 Aan Vandeputte small GA method -1147 R6_SSS_D doublebond_intra_secNd_NdNd radadd_intra_cdsingleH 300-1500 7.10E+10 0.19 0 6.38 0 0 0 0 0 Aan Vandeputte small GA method -1148 R6_SSS_D doublebond_intra_secNd_HCd radadd_intra_cs2H 300-1500 6.80E+11 0.19 0 6.65 0 0 0 0 0 Aan Vandeputte small GA method -1149 R6_SSS_D doublebond_intra_secNd_HCd radadd_intra_csHNd 300-1500 4.92E+12 0.19 0 6.63 0 0 0 0 0 Aan Vandeputte small GA method -1150 R6_SSS_D doublebond_intra_secNd_HCd radadd_intra_csNdNd 300-1500 1.26E+12 0.19 0 6.39 0 0 0 0 0 Aan Vandeputte small GA method -1151 R6_SSS_D doublebond_intra_secNd_HCd radadd_intra_csHCd 300-1500 5.75E+12 0.19 0 13.39 0 0 0 0 0 Aan Vandeputte small GA method -1152 R6_SSS_D doublebond_intra_secNd_HCd radadd_intra_csNdCd 300-1500 1.63E+12 0.19 0 14.12 0 0 0 0 0 Aan Vandeputte small GA method -1153 R6_SSS_D doublebond_intra_secNd_HCd radadd_intra_csHCt 300-1500 2.86E+12 0.19 0 10.29 0 0 0 0 0 Aan Vandeputte small GA method -1154 R6_SSS_D doublebond_intra_secNd_HCd radadd_intra_csNdCt 300-1500 2.58E+12 0.19 0 11.24 0 0 0 0 0 Aan Vandeputte small GA method -1155 R6_SSS_D doublebond_intra_secNd_HCd radadd_intra_cdsingleH 300-1500 9.24E+13 0.19 0 1.87 0 0 0 0 0 Aan Vandeputte small GA method -1156 R6_SSS_D doublebond_intra_secNd_NdCd radadd_intra_cs2H 300-1500 5.07E+08 0.19 0 12.69 0 0 0 0 0 Aan Vandeputte small GA method -1157 R6_SSS_D doublebond_intra_secNd_NdCd radadd_intra_csHNd 300-1500 3.67E+09 0.19 0 12.67 0 0 0 0 0 Aan Vandeputte small GA method -1158 R6_SSS_D doublebond_intra_secNd_NdCd radadd_intra_csNdNd 300-1500 9.38E+08 0.19 0 12.43 0 0 0 0 0 Aan Vandeputte small GA method -1159 R6_SSS_D doublebond_intra_secNd_NdCd radadd_intra_csHCd 300-1500 4.29E+09 0.19 0 19.43 0 0 0 0 0 Aan Vandeputte small GA method -1160 R6_SSS_D doublebond_intra_secNd_NdCd radadd_intra_csNdCd 300-1500 1.22E+09 0.19 0 20.15 0 0 0 0 0 Aan Vandeputte small GA method -1161 R6_SSS_D doublebond_intra_secNd_NdCd radadd_intra_csHCt 300-1500 2.14E+09 0.19 0 16.33 0 0 0 0 0 Aan Vandeputte small GA method -1162 R6_SSS_D doublebond_intra_secNd_NdCd radadd_intra_csNdCt 300-1500 1.92E+09 0.19 0 17.28 0 0 0 0 0 Aan Vandeputte small GA method -1163 R6_SSS_D doublebond_intra_secNd_NdCd radadd_intra_cdsingleH 300-1500 6.89E+10 0.19 0 7.91 0 0 0 0 0 Aan Vandeputte small GA method -1164 R6_SSS_D doublebond_intra_secNd_HCt radadd_intra_cs2H 300-1500 6.80E+11 0.19 0 6.65 0 0 0 0 0 Aan Vandeputte small GA method -1165 R6_SSS_D doublebond_intra_secNd_HCt radadd_intra_csHNd 300-1500 4.92E+12 0.19 0 6.63 0 0 0 0 0 Aan Vandeputte small GA method -1166 R6_SSS_D doublebond_intra_secNd_HCt radadd_intra_csNdNd 300-1500 1.26E+12 0.19 0 6.39 0 0 0 0 0 Aan Vandeputte small GA method -1167 R6_SSS_D doublebond_intra_secNd_HCt radadd_intra_csHCd 300-1500 5.75E+12 0.19 0 13.39 0 0 0 0 0 Aan Vandeputte small GA method -1168 R6_SSS_D doublebond_intra_secNd_HCt radadd_intra_csNdCd 300-1500 1.63E+12 0.19 0 14.12 0 0 0 0 0 Aan Vandeputte small GA method -1169 R6_SSS_D doublebond_intra_secNd_HCt radadd_intra_csHCt 300-1500 2.86E+12 0.19 0 10.29 0 0 0 0 0 Aan Vandeputte small GA method -1170 R6_SSS_D doublebond_intra_secNd_HCt radadd_intra_csNdCt 300-1500 2.58E+12 0.19 0 11.24 0 0 0 0 0 Aan Vandeputte small GA method -1171 R6_SSS_D doublebond_intra_secNd_HCt radadd_intra_cdsingleH 300-1500 9.23E+13 0.19 0 1.87 0 0 0 0 0 Aan Vandeputte small GA method -1172 R6_SSS_D doublebond_intra_secNd_NdCt radadd_intra_cs2H 300-1500 5.02E+10 0.19 0 0.66 0 0 0 0 0 Aan Vandeputte small GA method -1173 R6_SSS_D doublebond_intra_secNd_NdCt radadd_intra_csHNd 300-1500 3.64E+11 0.19 0 0.64 0 0 0 0 0 Aan Vandeputte small GA method -1174 R6_SSS_D doublebond_intra_secNd_NdCt radadd_intra_csNdNd 300-1500 9.29E+10 0.19 0 0.40 0 0 0 0 0 Aan Vandeputte small GA method -1175 R6_SSS_D doublebond_intra_secNd_NdCt radadd_intra_csHCd 300-1500 4.25E+11 0.19 0 7.40 0 0 0 0 0 Aan Vandeputte small GA method -1176 R6_SSS_D doublebond_intra_secNd_NdCt radadd_intra_csNdCd 300-1500 1.20E+11 0.19 0 8.13 0 0 0 0 0 Aan Vandeputte small GA method -1177 R6_SSS_D doublebond_intra_secNd_NdCt radadd_intra_csHCt 300-1500 2.12E+11 0.19 0 4.30 0 0 0 0 0 Aan Vandeputte small GA method -1178 R6_SSS_D doublebond_intra_secNd_NdCt radadd_intra_csNdCt 300-1500 1.90E+11 0.19 0 5.25 0 0 0 0 0 Aan Vandeputte small GA method -1179 R6_SSS_D doublebond_intra_secNd_NdCt radadd_intra_cdsingleH 300-1500 6.82E+12 0.19 0 -4.12 0 0 0 0 0 Aan Vandeputte small GA method -1180 R4_S_D doublebond_intra_secNd_2H radadd_intra_cs2H 300-1500 2.28E+10 0.19 0 31.91 0 0 0 0 0 Aan Vandeputte small GA method -1181 R4_S_D doublebond_intra_secNd_2H radadd_intra_csHNd 300-1500 1.65E+11 0.19 0 31.89 0 0 0 0 0 Aan Vandeputte small GA method -1182 R4_S_D doublebond_intra_secNd_2H radadd_intra_csNdNd 300-1500 4.22E+10 0.19 0 31.65 0 0 0 0 0 Aan Vandeputte small GA method -1183 R4_S_D doublebond_intra_secNd_2H radadd_intra_csHCd 300-1500 1.93E+11 0.19 0 38.65 0 0 0 0 0 Aan Vandeputte small GA method -1184 R4_S_D doublebond_intra_secNd_2H radadd_intra_csNdCd 300-1500 5.47E+10 0.19 0 39.37 0 0 0 0 0 Aan Vandeputte small GA method -1185 R4_S_D doublebond_intra_secNd_2H radadd_intra_csHCt 300-1500 9.62E+10 0.19 0 35.55 0 0 0 0 0 Aan Vandeputte small GA method -1186 R4_S_D doublebond_intra_secNd_2H radadd_intra_csNdCt 300-1500 8.66E+10 0.19 0 36.50 0 0 0 0 0 Aan Vandeputte small GA method -1187 R4_S_D doublebond_intra_secNd_2H radadd_intra_cdsingleH 300-1500 3.10E+12 0.19 0 27.13 0 0 0 0 0 Aan Vandeputte small GA method -1188 R4_S_D doublebond_intra_secNd_HNd radadd_intra_cs2H 300-1500 1.43E+11 0.19 0 32.23 0 0 0 0 0 Aan Vandeputte small GA method -1189 R4_S_D doublebond_intra_secNd_HNd radadd_intra_csHNd 300-1500 1.03E+12 0.19 0 32.21 0 0 0 0 0 Aan Vandeputte small GA method -1190 R4_S_D doublebond_intra_secNd_HNd radadd_intra_csNdNd 300-1500 2.64E+11 0.19 0 31.98 0 0 0 0 0 Aan Vandeputte small GA method -1191 R4_S_D doublebond_intra_secNd_HNd radadd_intra_csHCd 300-1500 1.21E+12 0.19 0 38.97 0 0 0 0 0 Aan Vandeputte small GA method -1192 R4_S_D doublebond_intra_secNd_HNd radadd_intra_csNdCd 300-1500 3.42E+11 0.19 0 39.70 0 0 0 0 0 Aan Vandeputte small GA method -1193 R4_S_D doublebond_intra_secNd_HNd radadd_intra_csHCt 300-1500 6.02E+11 0.19 0 35.88 0 0 0 0 0 Aan Vandeputte small GA method -1194 R4_S_D doublebond_intra_secNd_HNd radadd_intra_csNdCt 300-1500 5.41E+11 0.19 0 36.83 0 0 0 0 0 Aan Vandeputte small GA method -1195 R4_S_D doublebond_intra_secNd_HNd radadd_intra_cdsingleH 300-1500 1.94E+13 0.19 0 27.45 0 0 0 0 0 Aan Vandeputte small GA method -1196 R4_S_D doublebond_intra_secNd_NdNd radadd_intra_cs2H 300-1500 3.12E+10 0.19 0 34.00 0 0 0 0 0 Aan Vandeputte small GA method -1197 R4_S_D doublebond_intra_secNd_NdNd radadd_intra_csHNd 300-1500 2.26E+11 0.19 0 33.98 0 0 0 0 0 Aan Vandeputte small GA method -1198 R4_S_D doublebond_intra_secNd_NdNd radadd_intra_csNdNd 300-1500 5.77E+10 0.19 0 33.74 0 0 0 0 0 Aan Vandeputte small GA method -1199 R4_S_D doublebond_intra_secNd_NdNd radadd_intra_csHCd 300-1500 2.64E+11 0.19 0 40.74 0 0 0 0 0 Aan Vandeputte small GA method -1200 R4_S_D doublebond_intra_secNd_NdNd radadd_intra_csNdCd 300-1500 7.47E+10 0.19 0 41.47 0 0 0 0 0 Aan Vandeputte small GA method -1201 R4_S_D doublebond_intra_secNd_NdNd radadd_intra_csHCt 300-1500 1.31E+11 0.19 0 37.64 0 0 0 0 0 Aan Vandeputte small GA method -1202 R4_S_D doublebond_intra_secNd_NdNd radadd_intra_csNdCt 300-1500 1.18E+11 0.19 0 38.59 0 0 0 0 0 Aan Vandeputte small GA method -1203 R4_S_D doublebond_intra_secNd_NdNd radadd_intra_cdsingleH 300-1500 4.24E+12 0.19 0 29.22 0 0 0 0 0 Aan Vandeputte small GA method -1204 R4_S_D doublebond_intra_secNd_HCd radadd_intra_cs2H 300-1500 4.06E+13 0.19 0 29.48 0 0 0 0 0 Aan Vandeputte small GA method -1205 R4_S_D doublebond_intra_secNd_HCd radadd_intra_csHNd 300-1500 2.94E+14 0.19 0 29.46 0 0 0 0 0 Aan Vandeputte small GA method -1206 R4_S_D doublebond_intra_secNd_HCd radadd_intra_csNdNd 300-1500 7.50E+13 0.19 0 29.23 0 0 0 0 0 Aan Vandeputte small GA method -1207 R4_S_D doublebond_intra_secNd_HCd radadd_intra_csHCd 300-1500 3.43E+14 0.19 0 36.22 0 0 0 0 0 Aan Vandeputte small GA method -1208 R4_S_D doublebond_intra_secNd_HCd radadd_intra_csNdCd 300-1500 9.72E+13 0.19 0 36.95 0 0 0 0 0 Aan Vandeputte small GA method -1209 R4_S_D doublebond_intra_secNd_HCd radadd_intra_csHCt 300-1500 1.71E+14 0.19 0 33.13 0 0 0 0 0 Aan Vandeputte small GA method -1210 R4_S_D doublebond_intra_secNd_HCd radadd_intra_csNdCt 300-1500 1.54E+14 0.19 0 34.08 0 0 0 0 0 Aan Vandeputte small GA method -1211 R4_S_D doublebond_intra_secNd_HCd radadd_intra_cdsingleH 300-1500 5.51E+15 0.19 0 24.70 0 0 0 0 0 Aan Vandeputte small GA method -1212 R4_S_D doublebond_intra_secNd_NdCd radadd_intra_cs2H 300-1500 3.03E+10 0.19 0 35.52 0 0 0 0 0 Aan Vandeputte small GA method -1213 R4_S_D doublebond_intra_secNd_NdCd radadd_intra_csHNd 300-1500 2.19E+11 0.19 0 35.50 0 0 0 0 0 Aan Vandeputte small GA method -1214 R4_S_D doublebond_intra_secNd_NdCd radadd_intra_csNdNd 300-1500 5.60E+10 0.19 0 35.27 0 0 0 0 0 Aan Vandeputte small GA method -1215 R4_S_D doublebond_intra_secNd_NdCd radadd_intra_csHCd 300-1500 2.56E+11 0.19 0 42.26 0 0 0 0 0 Aan Vandeputte small GA method -1216 R4_S_D doublebond_intra_secNd_NdCd radadd_intra_csNdCd 300-1500 7.25E+10 0.19 0 42.99 0 0 0 0 0 Aan Vandeputte small GA method -1217 R4_S_D doublebond_intra_secNd_NdCd radadd_intra_csHCt 300-1500 1.28E+11 0.19 0 39.17 0 0 0 0 0 Aan Vandeputte small GA method -1218 R4_S_D doublebond_intra_secNd_NdCd radadd_intra_csNdCt 300-1500 1.15E+11 0.19 0 40.11 0 0 0 0 0 Aan Vandeputte small GA method -1219 R4_S_D doublebond_intra_secNd_NdCd radadd_intra_cdsingleH 300-1500 4.11E+12 0.19 0 30.74 0 0 0 0 0 Aan Vandeputte small GA method -1220 R4_S_D doublebond_intra_secNd_HCt radadd_intra_cs2H 300-1500 4.06E+13 0.19 0 29.48 0 0 0 0 0 Aan Vandeputte small GA method -1221 R4_S_D doublebond_intra_secNd_HCt radadd_intra_csHNd 300-1500 2.94E+14 0.19 0 29.46 0 0 0 0 0 Aan Vandeputte small GA method -1222 R4_S_D doublebond_intra_secNd_HCt radadd_intra_csNdNd 300-1500 7.50E+13 0.19 0 29.23 0 0 0 0 0 Aan Vandeputte small GA method -1223 R4_S_D doublebond_intra_secNd_HCt radadd_intra_csHCd 300-1500 3.43E+14 0.19 0 36.22 0 0 0 0 0 Aan Vandeputte small GA method -1224 R4_S_D doublebond_intra_secNd_HCt radadd_intra_csNdCd 300-1500 9.72E+13 0.19 0 36.95 0 0 0 0 0 Aan Vandeputte small GA method -1225 R4_S_D doublebond_intra_secNd_HCt radadd_intra_csHCt 300-1500 1.71E+14 0.19 0 33.13 0 0 0 0 0 Aan Vandeputte small GA method -1226 R4_S_D doublebond_intra_secNd_HCt radadd_intra_csNdCt 300-1500 1.54E+14 0.19 0 34.08 0 0 0 0 0 Aan Vandeputte small GA method -1227 R4_S_D doublebond_intra_secNd_HCt radadd_intra_cdsingleH 300-1500 5.51E+15 0.19 0 24.70 0 0 0 0 0 Aan Vandeputte small GA method -1228 R4_S_D doublebond_intra_secNd_NdCt radadd_intra_cs2H 300-1500 3.00E+12 0.19 0 23.49 0 0 0 0 0 Aan Vandeputte small GA method -1229 R4_S_D doublebond_intra_secNd_NdCt radadd_intra_csHNd 300-1500 2.17E+13 0.19 0 23.47 0 0 0 0 0 Aan Vandeputte small GA method -1230 R4_S_D doublebond_intra_secNd_NdCt radadd_intra_csNdNd 300-1500 5.54E+12 0.19 0 23.24 0 0 0 0 0 Aan Vandeputte small GA method -1231 R4_S_D doublebond_intra_secNd_NdCt radadd_intra_csHCd 300-1500 2.54E+13 0.19 0 30.23 0 0 0 0 0 Aan Vandeputte small GA method -1232 R4_S_D doublebond_intra_secNd_NdCt radadd_intra_csNdCd 300-1500 7.18E+12 0.19 0 30.96 0 0 0 0 0 Aan Vandeputte small GA method -1233 R4_S_D doublebond_intra_secNd_NdCt radadd_intra_csHCt 300-1500 1.26E+13 0.19 0 27.14 0 0 0 0 0 Aan Vandeputte small GA method -1234 R4_S_D doublebond_intra_secNd_NdCt radadd_intra_csNdCt 300-1500 1.14E+13 0.19 0 28.09 0 0 0 0 0 Aan Vandeputte small GA method -1235 R4_S_D doublebond_intra_secNd_NdCt radadd_intra_cdsingleH 300-1500 4.07E+14 0.19 0 18.71 0 0 0 0 0 Aan Vandeputte small GA method -1236 R5_SS_D doublebond_intra_secNd_2H radadd_intra_cs2H 300-1500 6.07E+09 0.19 0 15.82 0 0 0 0 0 Aan Vandeputte small GA method -1237 R5_SS_D doublebond_intra_secNd_2H radadd_intra_csHNd 300-1500 4.40E+10 0.19 0 15.81 0 0 0 0 0 Aan Vandeputte small GA method -1238 R5_SS_D doublebond_intra_secNd_2H radadd_intra_csNdNd 300-1500 1.12E+10 0.19 0 15.57 0 0 0 0 0 Aan Vandeputte small GA method -1239 R5_SS_D doublebond_intra_secNd_2H radadd_intra_csHCd 300-1500 5.14E+10 0.19 0 22.57 0 0 0 0 0 Aan Vandeputte small GA method -1240 R5_SS_D doublebond_intra_secNd_2H radadd_intra_csNdCd 300-1500 1.46E+10 0.19 0 23.29 0 0 0 0 0 Aan Vandeputte small GA method -1241 R5_SS_D doublebond_intra_secNd_2H radadd_intra_csHCt 300-1500 2.56E+10 0.19 0 19.47 0 0 0 0 0 Aan Vandeputte small GA method -1242 R5_SS_D doublebond_intra_secNd_2H radadd_intra_csNdCt 300-1500 2.30E+10 0.19 0 20.42 0 0 0 0 0 Aan Vandeputte small GA method -1243 R5_SS_D doublebond_intra_secNd_2H radadd_intra_cdsingleH 300-1500 8.26E+11 0.19 0 11.04 0 0 0 0 0 Aan Vandeputte small GA method -1244 R5_SS_D doublebond_intra_secNd_HNd radadd_intra_cs2H 300-1500 3.80E+10 0.19 0 16.15 0 0 0 0 0 Aan Vandeputte small GA method -1245 R5_SS_D doublebond_intra_secNd_HNd radadd_intra_csHNd 300-1500 2.75E+11 0.19 0 16.13 0 0 0 0 0 Aan Vandeputte small GA method -1246 R5_SS_D doublebond_intra_secNd_HNd radadd_intra_csNdNd 300-1500 7.03E+10 0.19 0 15.89 0 0 0 0 0 Aan Vandeputte small GA method -1247 R5_SS_D doublebond_intra_secNd_HNd radadd_intra_csHCd 300-1500 3.22E+11 0.19 0 22.89 0 0 0 0 0 Aan Vandeputte small GA method -1248 R5_SS_D doublebond_intra_secNd_HNd radadd_intra_csNdCd 300-1500 9.10E+10 0.19 0 23.62 0 0 0 0 0 Aan Vandeputte small GA method -1249 R5_SS_D doublebond_intra_secNd_HNd radadd_intra_csHCt 300-1500 1.60E+11 0.19 0 19.80 0 0 0 0 0 Aan Vandeputte small GA method -1250 R5_SS_D doublebond_intra_secNd_HNd radadd_intra_csNdCt 300-1500 1.44E+11 0.19 0 20.74 0 0 0 0 0 Aan Vandeputte small GA method -1251 R5_SS_D doublebond_intra_secNd_HNd radadd_intra_cdsingleH 300-1500 5.16E+12 0.19 0 11.37 0 0 0 0 0 Aan Vandeputte small GA method -1252 R5_SS_D doublebond_intra_secNd_NdNd radadd_intra_cs2H 300-1500 8.30E+09 0.19 0 17.91 0 0 0 0 0 Aan Vandeputte small GA method -1253 R5_SS_D doublebond_intra_secNd_NdNd radadd_intra_csHNd 300-1500 6.01E+10 0.19 0 17.90 0 0 0 0 0 Aan Vandeputte small GA method -1254 R5_SS_D doublebond_intra_secNd_NdNd radadd_intra_csNdNd 300-1500 1.54E+10 0.19 0 17.66 0 0 0 0 0 Aan Vandeputte small GA method -1255 R5_SS_D doublebond_intra_secNd_NdNd radadd_intra_csHCd 300-1500 7.03E+10 0.19 0 24.66 0 0 0 0 0 Aan Vandeputte small GA method -1256 R5_SS_D doublebond_intra_secNd_NdNd radadd_intra_csNdCd 300-1500 1.99E+10 0.19 0 25.38 0 0 0 0 0 Aan Vandeputte small GA method -1257 R5_SS_D doublebond_intra_secNd_NdNd radadd_intra_csHCt 300-1500 3.50E+10 0.19 0 21.56 0 0 0 0 0 Aan Vandeputte small GA method -1258 R5_SS_D doublebond_intra_secNd_NdNd radadd_intra_csNdCt 300-1500 3.15E+10 0.19 0 22.51 0 0 0 0 0 Aan Vandeputte small GA method -1259 R5_SS_D doublebond_intra_secNd_NdNd radadd_intra_cdsingleH 300-1500 1.13E+12 0.19 0 13.14 0 0 0 0 0 Aan Vandeputte small GA method -1260 R5_SS_D doublebond_intra_secNd_HCd radadd_intra_cs2H 300-1500 1.08E+13 0.19 0 13.40 0 0 0 0 0 Aan Vandeputte small GA method -1261 R5_SS_D doublebond_intra_secNd_HCd radadd_intra_csHNd 300-1500 7.82E+13 0.19 0 13.38 0 0 0 0 0 Aan Vandeputte small GA method -1262 R5_SS_D doublebond_intra_secNd_HCd radadd_intra_csNdNd 300-1500 2.00E+13 0.19 0 13.14 0 0 0 0 0 Aan Vandeputte small GA method -1263 R5_SS_D doublebond_intra_secNd_HCd radadd_intra_csHCd 300-1500 9.14E+13 0.19 0 20.14 0 0 0 0 0 Aan Vandeputte small GA method -1264 R5_SS_D doublebond_intra_secNd_HCd radadd_intra_csNdCd 300-1500 2.59E+13 0.19 0 20.87 0 0 0 0 0 Aan Vandeputte small GA method -1265 R5_SS_D doublebond_intra_secNd_HCd radadd_intra_csHCt 300-1500 4.55E+13 0.19 0 17.05 0 0 0 0 0 Aan Vandeputte small GA method -1266 R5_SS_D doublebond_intra_secNd_HCd radadd_intra_csNdCt 300-1500 4.10E+13 0.19 0 17.99 0 0 0 0 0 Aan Vandeputte small GA method -1267 R5_SS_D doublebond_intra_secNd_HCd radadd_intra_cdsingleH 300-1500 1.47E+15 0.19 0 8.62 0 0 0 0 0 Aan Vandeputte small GA method -1268 R5_SS_D doublebond_intra_secNd_NdCd radadd_intra_cs2H 300-1500 8.06E+09 0.19 0 19.44 0 0 0 0 0 Aan Vandeputte small GA method -1269 R5_SS_D doublebond_intra_secNd_NdCd radadd_intra_csHNd 300-1500 5.84E+10 0.19 0 19.42 0 0 0 0 0 Aan Vandeputte small GA method -1270 R5_SS_D doublebond_intra_secNd_NdCd radadd_intra_csNdNd 300-1500 1.49E+10 0.19 0 19.18 0 0 0 0 0 Aan Vandeputte small GA method -1271 R5_SS_D doublebond_intra_secNd_NdCd radadd_intra_csHCd 300-1500 6.82E+10 0.19 0 26.18 0 0 0 0 0 Aan Vandeputte small GA method -1272 R5_SS_D doublebond_intra_secNd_NdCd radadd_intra_csNdCd 300-1500 1.93E+10 0.19 0 26.91 0 0 0 0 0 Aan Vandeputte small GA method -1273 R5_SS_D doublebond_intra_secNd_NdCd radadd_intra_csHCt 300-1500 3.40E+10 0.19 0 23.09 0 0 0 0 0 Aan Vandeputte small GA method -1274 R5_SS_D doublebond_intra_secNd_NdCd radadd_intra_csNdCt 300-1500 3.06E+10 0.19 0 24.03 0 0 0 0 0 Aan Vandeputte small GA method -1275 R5_SS_D doublebond_intra_secNd_NdCd radadd_intra_cdsingleH 300-1500 1.10E+12 0.19 0 14.66 0 0 0 0 0 Aan Vandeputte small GA method -1276 R5_SS_D doublebond_intra_secNd_HCt radadd_intra_cs2H 300-1500 1.08E+13 0.19 0 13.40 0 0 0 0 0 Aan Vandeputte small GA method -1277 R5_SS_D doublebond_intra_secNd_HCt radadd_intra_csHNd 300-1500 7.82E+13 0.19 0 13.38 0 0 0 0 0 Aan Vandeputte small GA method -1278 R5_SS_D doublebond_intra_secNd_HCt radadd_intra_csNdNd 300-1500 2.00E+13 0.19 0 13.14 0 0 0 0 0 Aan Vandeputte small GA method -1279 R5_SS_D doublebond_intra_secNd_HCt radadd_intra_csHCd 300-1500 9.14E+13 0.19 0 20.14 0 0 0 0 0 Aan Vandeputte small GA method -1280 R5_SS_D doublebond_intra_secNd_HCt radadd_intra_csNdCd 300-1500 2.59E+13 0.19 0 20.87 0 0 0 0 0 Aan Vandeputte small GA method -1281 R5_SS_D doublebond_intra_secNd_HCt radadd_intra_csHCt 300-1500 4.55E+13 0.19 0 17.05 0 0 0 0 0 Aan Vandeputte small GA method -1282 R5_SS_D doublebond_intra_secNd_HCt radadd_intra_csNdCt 300-1500 4.10E+13 0.19 0 17.99 0 0 0 0 0 Aan Vandeputte small GA method -1283 R5_SS_D doublebond_intra_secNd_HCt radadd_intra_cdsingleH 300-1500 1.47E+15 0.19 0 8.62 0 0 0 0 0 Aan Vandeputte small GA method -1284 R5_SS_D doublebond_intra_secNd_NdCt radadd_intra_cs2H 300-1500 7.98E+11 0.19 0 7.41 0 0 0 0 0 Aan Vandeputte small GA method -1285 R5_SS_D doublebond_intra_secNd_NdCt radadd_intra_csHNd 300-1500 5.78E+12 0.19 0 7.39 0 0 0 0 0 Aan Vandeputte small GA method -1286 R5_SS_D doublebond_intra_secNd_NdCt radadd_intra_csNdNd 300-1500 1.48E+12 0.19 0 7.15 0 0 0 0 0 Aan Vandeputte small GA method -1287 R5_SS_D doublebond_intra_secNd_NdCt radadd_intra_csHCd 300-1500 6.76E+12 0.19 0 14.15 0 0 0 0 0 Aan Vandeputte small GA method -1288 R5_SS_D doublebond_intra_secNd_NdCt radadd_intra_csNdCd 300-1500 1.91E+12 0.19 0 14.88 0 0 0 0 0 Aan Vandeputte small GA method -1289 R5_SS_D doublebond_intra_secNd_NdCt radadd_intra_csHCt 300-1500 3.36E+12 0.19 0 11.06 0 0 0 0 0 Aan Vandeputte small GA method -1290 R5_SS_D doublebond_intra_secNd_NdCt radadd_intra_csNdCt 300-1500 3.03E+12 0.19 0 12.00 0 0 0 0 0 Aan Vandeputte small GA method -1291 R5_SS_D doublebond_intra_secNd_NdCt radadd_intra_cdsingleH 300-1500 1.08E+14 0.19 0 2.63 0 0 0 0 0 Aan Vandeputte small GA method -1292 R6_SMS_D doublebond_intra_secNd_2H radadd_intra_cs2H 300-1500 1.63E+10 0.19 0 23.35 0 0 0 0 0 Aan Vandeputte small GA method -1293 R6_SMS_D doublebond_intra_secNd_2H radadd_intra_csHNd 300-1500 1.18E+11 0.19 0 23.33 0 0 0 0 0 Aan Vandeputte small GA method -1294 R6_SMS_D doublebond_intra_secNd_2H radadd_intra_csNdNd 300-1500 3.02E+10 0.19 0 23.09 0 0 0 0 0 Aan Vandeputte small GA method -1295 R6_SMS_D doublebond_intra_secNd_2H radadd_intra_csHCd 300-1500 1.38E+11 0.19 0 30.09 0 0 0 0 0 Aan Vandeputte small GA method -1296 R6_SMS_D doublebond_intra_secNd_2H radadd_intra_csNdCd 300-1500 3.91E+10 0.19 0 30.82 0 0 0 0 0 Aan Vandeputte small GA method -1297 R6_SMS_D doublebond_intra_secNd_2H radadd_intra_csHCt 300-1500 6.89E+10 0.19 0 27.00 0 0 0 0 0 Aan Vandeputte small GA method -1298 R6_SMS_D doublebond_intra_secNd_2H radadd_intra_csNdCt 300-1500 6.20E+10 0.19 0 27.94 0 0 0 0 0 Aan Vandeputte small GA method -1299 R6_SMS_D doublebond_intra_secNd_2H radadd_intra_cdsingleH 300-1500 2.22E+12 0.19 0 18.57 0 0 0 0 0 Aan Vandeputte small GA method -1300 R6_SMS_D doublebond_intra_secNd_HNd radadd_intra_cs2H 300-1500 1.02E+11 0.19 0 23.68 0 0 0 0 0 Aan Vandeputte small GA method -1301 R6_SMS_D doublebond_intra_secNd_HNd radadd_intra_csHNd 300-1500 7.40E+11 0.19 0 23.66 0 0 0 0 0 Aan Vandeputte small GA method -1302 R6_SMS_D doublebond_intra_secNd_HNd radadd_intra_csNdNd 300-1500 1.89E+11 0.19 0 23.42 0 0 0 0 0 Aan Vandeputte small GA method -1303 R6_SMS_D doublebond_intra_secNd_HNd radadd_intra_csHCd 300-1500 8.65E+11 0.19 0 30.42 0 0 0 0 0 Aan Vandeputte small GA method -1304 R6_SMS_D doublebond_intra_secNd_HNd radadd_intra_csNdCd 300-1500 2.45E+11 0.19 0 31.15 0 0 0 0 0 Aan Vandeputte small GA method -1305 R6_SMS_D doublebond_intra_secNd_HNd radadd_intra_csHCt 300-1500 4.31E+11 0.19 0 27.33 0 0 0 0 0 Aan Vandeputte small GA method -1306 R6_SMS_D doublebond_intra_secNd_HNd radadd_intra_csNdCt 300-1500 3.88E+11 0.19 0 28.27 0 0 0 0 0 Aan Vandeputte small GA method -1307 R6_SMS_D doublebond_intra_secNd_HNd radadd_intra_cdsingleH 300-1500 1.39E+13 0.19 0 18.90 0 0 0 0 0 Aan Vandeputte small GA method -1308 R6_SMS_D doublebond_intra_secNd_NdNd radadd_intra_cs2H 300-1500 2.23E+10 0.19 0 25.44 0 0 0 0 0 Aan Vandeputte small GA method -1309 R6_SMS_D doublebond_intra_secNd_NdNd radadd_intra_csHNd 300-1500 1.62E+11 0.19 0 25.42 0 0 0 0 0 Aan Vandeputte small GA method -1310 R6_SMS_D doublebond_intra_secNd_NdNd radadd_intra_csNdNd 300-1500 4.13E+10 0.19 0 25.18 0 0 0 0 0 Aan Vandeputte small GA method -1311 R6_SMS_D doublebond_intra_secNd_NdNd radadd_intra_csHCd 300-1500 1.89E+11 0.19 0 32.18 0 0 0 0 0 Aan Vandeputte small GA method -1312 R6_SMS_D doublebond_intra_secNd_NdNd radadd_intra_csNdCd 300-1500 5.35E+10 0.19 0 32.91 0 0 0 0 0 Aan Vandeputte small GA method -1313 R6_SMS_D doublebond_intra_secNd_NdNd radadd_intra_csHCt 300-1500 9.41E+10 0.19 0 29.09 0 0 0 0 0 Aan Vandeputte small GA method -1314 R6_SMS_D doublebond_intra_secNd_NdNd radadd_intra_csNdCt 300-1500 8.47E+10 0.19 0 30.03 0 0 0 0 0 Aan Vandeputte small GA method -1315 R6_SMS_D doublebond_intra_secNd_NdNd radadd_intra_cdsingleH 300-1500 3.03E+12 0.19 0 20.66 0 0 0 0 0 Aan Vandeputte small GA method -1316 R6_SMS_D doublebond_intra_secNd_HCd radadd_intra_cs2H 300-1500 2.90E+13 0.19 0 20.93 0 0 0 0 0 Aan Vandeputte small GA method -1317 R6_SMS_D doublebond_intra_secNd_HCd radadd_intra_csHNd 300-1500 2.10E+14 0.19 0 20.91 0 0 0 0 0 Aan Vandeputte small GA method -1318 R6_SMS_D doublebond_intra_secNd_HCd radadd_intra_csNdNd 300-1500 5.37E+13 0.19 0 20.67 0 0 0 0 0 Aan Vandeputte small GA method -1319 R6_SMS_D doublebond_intra_secNd_HCd radadd_intra_csHCd 300-1500 2.46E+14 0.19 0 27.67 0 0 0 0 0 Aan Vandeputte small GA method -1320 R6_SMS_D doublebond_intra_secNd_HCd radadd_intra_csNdCd 300-1500 6.96E+13 0.19 0 28.40 0 0 0 0 0 Aan Vandeputte small GA method -1321 R6_SMS_D doublebond_intra_secNd_HCd radadd_intra_csHCt 300-1500 1.22E+14 0.19 0 24.58 0 0 0 0 0 Aan Vandeputte small GA method -1322 R6_SMS_D doublebond_intra_secNd_HCd radadd_intra_csNdCt 300-1500 1.10E+14 0.19 0 25.52 0 0 0 0 0 Aan Vandeputte small GA method -1323 R6_SMS_D doublebond_intra_secNd_HCd radadd_intra_cdsingleH 300-1500 3.95E+15 0.19 0 16.15 0 0 0 0 0 Aan Vandeputte small GA method -1324 R6_SMS_D doublebond_intra_secNd_NdCd radadd_intra_cs2H 300-1500 2.17E+10 0.19 0 26.97 0 0 0 0 0 Aan Vandeputte small GA method -1325 R6_SMS_D doublebond_intra_secNd_NdCd radadd_intra_csHNd 300-1500 1.57E+11 0.19 0 26.95 0 0 0 0 0 Aan Vandeputte small GA method -1326 R6_SMS_D doublebond_intra_secNd_NdCd radadd_intra_csNdNd 300-1500 4.01E+10 0.19 0 26.71 0 0 0 0 0 Aan Vandeputte small GA method -1327 R6_SMS_D doublebond_intra_secNd_NdCd radadd_intra_csHCd 300-1500 1.83E+11 0.19 0 33.71 0 0 0 0 0 Aan Vandeputte small GA method -1328 R6_SMS_D doublebond_intra_secNd_NdCd radadd_intra_csNdCd 300-1500 5.19E+10 0.19 0 34.44 0 0 0 0 0 Aan Vandeputte small GA method -1329 R6_SMS_D doublebond_intra_secNd_NdCd radadd_intra_csHCt 300-1500 9.13E+10 0.19 0 30.62 0 0 0 0 0 Aan Vandeputte small GA method -1330 R6_SMS_D doublebond_intra_secNd_NdCd radadd_intra_csNdCt 300-1500 8.22E+10 0.19 0 31.56 0 0 0 0 0 Aan Vandeputte small GA method -1331 R6_SMS_D doublebond_intra_secNd_NdCd radadd_intra_cdsingleH 300-1500 2.94E+12 0.19 0 22.19 0 0 0 0 0 Aan Vandeputte small GA method -1332 R6_SMS_D doublebond_intra_secNd_HCt radadd_intra_cs2H 300-1500 2.90E+13 0.19 0 20.93 0 0 0 0 0 Aan Vandeputte small GA method -1333 R6_SMS_D doublebond_intra_secNd_HCt radadd_intra_csHNd 300-1500 2.10E+14 0.19 0 20.91 0 0 0 0 0 Aan Vandeputte small GA method -1334 R6_SMS_D doublebond_intra_secNd_HCt radadd_intra_csNdNd 300-1500 5.37E+13 0.19 0 20.67 0 0 0 0 0 Aan Vandeputte small GA method -1335 R6_SMS_D doublebond_intra_secNd_HCt radadd_intra_csHCd 300-1500 2.46E+14 0.19 0 27.67 0 0 0 0 0 Aan Vandeputte small GA method -1336 R6_SMS_D doublebond_intra_secNd_HCt radadd_intra_csNdCd 300-1500 6.96E+13 0.19 0 28.40 0 0 0 0 0 Aan Vandeputte small GA method -1337 R6_SMS_D doublebond_intra_secNd_HCt radadd_intra_csHCt 300-1500 1.22E+14 0.19 0 24.58 0 0 0 0 0 Aan Vandeputte small GA method -1338 R6_SMS_D doublebond_intra_secNd_HCt radadd_intra_csNdCt 300-1500 1.10E+14 0.19 0 25.52 0 0 0 0 0 Aan Vandeputte small GA method -1339 R6_SMS_D doublebond_intra_secNd_HCt radadd_intra_cdsingleH 300-1500 3.95E+15 0.19 0 16.15 0 0 0 0 0 Aan Vandeputte small GA method -1340 R6_SMS_D doublebond_intra_secNd_NdCt radadd_intra_cs2H 300-1500 2.15E+12 0.19 0 14.94 0 0 0 0 0 Aan Vandeputte small GA method -1341 R6_SMS_D doublebond_intra_secNd_NdCt radadd_intra_csHNd 300-1500 1.55E+13 0.19 0 14.92 0 0 0 0 0 Aan Vandeputte small GA method -1342 R6_SMS_D doublebond_intra_secNd_NdCt radadd_intra_csNdNd 300-1500 3.97E+12 0.19 0 14.68 0 0 0 0 0 Aan Vandeputte small GA method -1343 R6_SMS_D doublebond_intra_secNd_NdCt radadd_intra_csHCd 300-1500 1.82E+13 0.19 0 21.68 0 0 0 0 0 Aan Vandeputte small GA method -1344 R6_SMS_D doublebond_intra_secNd_NdCt radadd_intra_csNdCd 300-1500 5.14E+12 0.19 0 22.41 0 0 0 0 0 Aan Vandeputte small GA method -1345 R6_SMS_D doublebond_intra_secNd_NdCt radadd_intra_csHCt 300-1500 9.05E+12 0.19 0 18.59 0 0 0 0 0 Aan Vandeputte small GA method -1346 R6_SMS_D doublebond_intra_secNd_NdCt radadd_intra_csNdCt 300-1500 8.14E+12 0.19 0 19.53 0 0 0 0 0 Aan Vandeputte small GA method -1347 R6_SMS_D doublebond_intra_secNd_NdCt radadd_intra_cdsingleH 300-1500 2.92E+14 0.19 0 10.16 0 0 0 0 0 Aan Vandeputte small GA method - -// A. G. Vandeputte estimates - -1348 R6_SSS_D doublebond_intra_secDe_2H radadd_intra_cs2H 300-1500 3.99E+08 0.19 0 6.30 0 0 0 0 0 Aan Vandeputte small GA method -1349 R6_SSS_D doublebond_intra_secDe_2H radadd_intra_csHNd 300-1500 2.89E+09 0.19 0 6.28 0 0 0 0 0 Aan Vandeputte small GA method -1350 R6_SSS_D doublebond_intra_secDe_2H radadd_intra_csNdNd 300-1500 7.38E+08 0.19 0 6.04 0 0 0 0 0 Aan Vandeputte small GA method -1351 R6_SSS_D doublebond_intra_secDe_2H radadd_intra_csHCd 300-1500 3.38E+09 0.19 0 13.04 0 0 0 0 0 Aan Vandeputte small GA method -1352 R6_SSS_D doublebond_intra_secDe_2H radadd_intra_csNdCd 300-1500 9.57E+08 0.19 0 13.77 0 0 0 0 0 Aan Vandeputte small GA method -1353 R6_SSS_D doublebond_intra_secDe_2H radadd_intra_csHCt 300-1500 1.68E+09 0.19 0 9.94 0 0 0 0 0 Aan Vandeputte small GA method -1354 R6_SSS_D doublebond_intra_secDe_2H radadd_intra_csNdCt 300-1500 1.51E+09 0.19 0 10.89 0 0 0 0 0 Aan Vandeputte small GA method -1355 R6_SSS_D doublebond_intra_secDe_2H radadd_intra_cdsingleH 300-1500 5.43E+10 0.19 0 1.52 0 0 0 0 0 Aan Vandeputte small GA method -1356 R6_SSS_D doublebond_intra_secDe_HNd radadd_intra_cs2H 300-1500 2.50E+09 0.19 0 6.62 0 0 0 0 0 Aan Vandeputte small GA method -1357 R6_SSS_D doublebond_intra_secDe_HNd radadd_intra_csHNd 300-1500 1.81E+10 0.19 0 6.60 0 0 0 0 0 Aan Vandeputte small GA method -1358 R6_SSS_D doublebond_intra_secDe_HNd radadd_intra_csNdNd 300-1500 4.62E+09 0.19 0 6.37 0 0 0 0 0 Aan Vandeputte small GA method -1359 R6_SSS_D doublebond_intra_secDe_HNd radadd_intra_csHCd 300-1500 2.11E+10 0.19 0 13.36 0 0 0 0 0 Aan Vandeputte small GA method -1360 R6_SSS_D doublebond_intra_secDe_HNd radadd_intra_csNdCd 300-1500 5.99E+09 0.19 0 14.09 0 0 0 0 0 Aan Vandeputte small GA method -1361 R6_SSS_D doublebond_intra_secDe_HNd radadd_intra_csHCt 300-1500 1.05E+10 0.19 0 10.27 0 0 0 0 0 Aan Vandeputte small GA method -1362 R6_SSS_D doublebond_intra_secDe_HNd radadd_intra_csNdCt 300-1500 9.47E+09 0.19 0 11.22 0 0 0 0 0 Aan Vandeputte small GA method -1363 R6_SSS_D doublebond_intra_secDe_HNd radadd_intra_cdsingleH 300-1500 3.39E+11 0.19 0 1.84 0 0 0 0 0 Aan Vandeputte small GA method -1364 R6_SSS_D doublebond_intra_secDe_NdNd radadd_intra_cs2H 300-1500 5.46E+08 0.19 0 8.39 0 0 0 0 0 Aan Vandeputte small GA method -1365 R6_SSS_D doublebond_intra_secDe_NdNd radadd_intra_csHNd 300-1500 3.95E+09 0.19 0 8.37 0 0 0 0 0 Aan Vandeputte small GA method -1366 R6_SSS_D doublebond_intra_secDe_NdNd radadd_intra_csNdNd 300-1500 1.01E+09 0.19 0 8.13 0 0 0 0 0 Aan Vandeputte small GA method -1367 R6_SSS_D doublebond_intra_secDe_NdNd radadd_intra_csHCd 300-1500 4.62E+09 0.19 0 15.13 0 0 0 0 0 Aan Vandeputte small GA method -1368 R6_SSS_D doublebond_intra_secDe_NdNd radadd_intra_csNdCd 300-1500 1.31E+09 0.19 0 15.86 0 0 0 0 0 Aan Vandeputte small GA method -1369 R6_SSS_D doublebond_intra_secDe_NdNd radadd_intra_csHCt 300-1500 2.30E+09 0.19 0 12.04 0 0 0 0 0 Aan Vandeputte small GA method -1370 R6_SSS_D doublebond_intra_secDe_NdNd radadd_intra_csNdCt 300-1500 2.07E+09 0.19 0 12.98 0 0 0 0 0 Aan Vandeputte small GA method -1371 R6_SSS_D doublebond_intra_secDe_NdNd radadd_intra_cdsingleH 300-1500 7.42E+10 0.19 0 3.61 0 0 0 0 0 Aan Vandeputte small GA method -1372 R6_SSS_D doublebond_intra_secDe_HCd radadd_intra_cs2H 300-1500 7.10E+11 0.19 0 3.87 0 0 0 0 0 Aan Vandeputte small GA method -1373 R6_SSS_D doublebond_intra_secDe_HCd radadd_intra_csHNd 300-1500 5.14E+12 0.19 0 3.86 0 0 0 0 0 Aan Vandeputte small GA method -1374 R6_SSS_D doublebond_intra_secDe_HCd radadd_intra_csNdNd 300-1500 1.31E+12 0.19 0 3.62 0 0 0 0 0 Aan Vandeputte small GA method -1375 R6_SSS_D doublebond_intra_secDe_HCd radadd_intra_csHCd 300-1500 6.01E+12 0.19 0 10.62 0 0 0 0 0 Aan Vandeputte small GA method -1376 R6_SSS_D doublebond_intra_secDe_HCd radadd_intra_csNdCd 300-1500 1.70E+12 0.19 0 11.34 0 0 0 0 0 Aan Vandeputte small GA method -1377 R6_SSS_D doublebond_intra_secDe_HCd radadd_intra_csHCt 300-1500 2.99E+12 0.19 0 7.52 0 0 0 0 0 Aan Vandeputte small GA method -1378 R6_SSS_D doublebond_intra_secDe_HCd radadd_intra_csNdCt 300-1500 2.69E+12 0.19 0 8.47 0 0 0 0 0 Aan Vandeputte small GA method -1379 R6_SSS_D doublebond_intra_secDe_HCd radadd_intra_cdsingleH 300-1500 9.65E+13 0.19 0 -0.90 0 0 0 0 0 Aan Vandeputte small GA method -1380 R6_SSS_D doublebond_intra_secDe_NdCd radadd_intra_cs2H 300-1500 5.30E+08 0.19 0 9.91 0 0 0 0 0 Aan Vandeputte small GA method -1381 R6_SSS_D doublebond_intra_secDe_NdCd radadd_intra_csHNd 300-1500 3.84E+09 0.19 0 9.89 0 0 0 0 0 Aan Vandeputte small GA method -1382 R6_SSS_D doublebond_intra_secDe_NdCd radadd_intra_csNdNd 300-1500 9.80E+08 0.19 0 9.66 0 0 0 0 0 Aan Vandeputte small GA method -1383 R6_SSS_D doublebond_intra_secDe_NdCd radadd_intra_csHCd 300-1500 4.48E+09 0.19 0 16.65 0 0 0 0 0 Aan Vandeputte small GA method -1384 R6_SSS_D doublebond_intra_secDe_NdCd radadd_intra_csNdCd 300-1500 1.27E+09 0.19 0 17.38 0 0 0 0 0 Aan Vandeputte small GA method -1385 R6_SSS_D doublebond_intra_secDe_NdCd radadd_intra_csHCt 300-1500 2.23E+09 0.19 0 13.56 0 0 0 0 0 Aan Vandeputte small GA method -1386 R6_SSS_D doublebond_intra_secDe_NdCd radadd_intra_csNdCt 300-1500 2.01E+09 0.19 0 14.51 0 0 0 0 0 Aan Vandeputte small GA method -1387 R6_SSS_D doublebond_intra_secDe_NdCd radadd_intra_cdsingleH 300-1500 7.20E+10 0.19 0 5.13 0 0 0 0 0 Aan Vandeputte small GA method -1388 R6_SSS_D doublebond_intra_secDe_HCt radadd_intra_cs2H 300-1500 7.10E+11 0.19 0 3.87 0 0 0 0 0 Aan Vandeputte small GA method -1389 R6_SSS_D doublebond_intra_secDe_HCt radadd_intra_csHNd 300-1500 5.14E+12 0.19 0 3.86 0 0 0 0 0 Aan Vandeputte small GA method -1390 R6_SSS_D doublebond_intra_secDe_HCt radadd_intra_csNdNd 300-1500 1.31E+12 0.19 0 3.62 0 0 0 0 0 Aan Vandeputte small GA method -1391 R6_SSS_D doublebond_intra_secDe_HCt radadd_intra_csHCd 300-1500 6.01E+12 0.19 0 10.62 0 0 0 0 0 Aan Vandeputte small GA method -1392 R6_SSS_D doublebond_intra_secDe_HCt radadd_intra_csNdCd 300-1500 1.70E+12 0.19 0 11.34 0 0 0 0 0 Aan Vandeputte small GA method -1393 R6_SSS_D doublebond_intra_secDe_HCt radadd_intra_csHCt 300-1500 2.99E+12 0.19 0 7.52 0 0 0 0 0 Aan Vandeputte small GA method -1394 R6_SSS_D doublebond_intra_secDe_HCt radadd_intra_csNdCt 300-1500 2.69E+12 0.19 0 8.47 0 0 0 0 0 Aan Vandeputte small GA method -1395 R6_SSS_D doublebond_intra_secDe_HCt radadd_intra_cdsingleH 300-1500 9.65E+13 0.19 0 -0.91 0 0 0 0 0 Aan Vandeputte small GA method -1396 R6_SSS_D doublebond_intra_secDe_NdCt radadd_intra_cs2H 300-1500 5.25E+10 0.19 0 -2.12 0 0 0 0 0 Aan Vandeputte small GA method -1397 R6_SSS_D doublebond_intra_secDe_NdCt radadd_intra_csHNd 300-1500 3.80E+11 0.19 0 -2.14 0 0 0 0 0 Aan Vandeputte small GA method -1398 R6_SSS_D doublebond_intra_secDe_NdCt radadd_intra_csNdNd 300-1500 9.70E+10 0.19 0 -2.37 0 0 0 0 0 Aan Vandeputte small GA method -1399 R6_SSS_D doublebond_intra_secDe_NdCt radadd_intra_csHCd 300-1500 4.44E+11 0.19 0 4.62 0 0 0 0 0 Aan Vandeputte small GA method -1400 R6_SSS_D doublebond_intra_secDe_NdCt radadd_intra_csNdCd 300-1500 1.26E+11 0.19 0 5.35 0 0 0 0 0 Aan Vandeputte small GA method -1401 R6_SSS_D doublebond_intra_secDe_NdCt radadd_intra_csHCt 300-1500 2.21E+11 0.19 0 1.53 0 0 0 0 0 Aan Vandeputte small GA method -1402 R6_SSS_D doublebond_intra_secDe_NdCt radadd_intra_csNdCt 300-1500 1.99E+11 0.19 0 2.48 0 0 0 0 0 Aan Vandeputte small GA method -1403 R6_SSS_D doublebond_intra_secDe_NdCt radadd_intra_cdsingleH 300-1500 7.13E+12 0.19 0 -6.90 0 0 0 0 0 Aan Vandeputte small GA method -1404 R4_S_D doublebond_intra_secDe_2H radadd_intra_cs2H 300-1500 2.38E+10 0.19 0 29.13 0 0 0 0 0 Aan Vandeputte small GA method -1405 R4_S_D doublebond_intra_secDe_2H radadd_intra_csHNd 300-1500 1.73E+11 0.19 0 29.11 0 0 0 0 0 Aan Vandeputte small GA method -1406 R4_S_D doublebond_intra_secDe_2H radadd_intra_csNdNd 300-1500 4.41E+10 0.19 0 28.88 0 0 0 0 0 Aan Vandeputte small GA method -1407 R4_S_D doublebond_intra_secDe_2H radadd_intra_csHCd 300-1500 2.02E+11 0.19 0 35.87 0 0 0 0 0 Aan Vandeputte small GA method -1408 R4_S_D doublebond_intra_secDe_2H radadd_intra_csNdCd 300-1500 5.71E+10 0.19 0 36.60 0 0 0 0 0 Aan Vandeputte small GA method -1409 R4_S_D doublebond_intra_secDe_2H radadd_intra_csHCt 300-1500 1.00E+11 0.19 0 32.78 0 0 0 0 0 Aan Vandeputte small GA method -1410 R4_S_D doublebond_intra_secDe_2H radadd_intra_csNdCt 300-1500 9.04E+10 0.19 0 33.73 0 0 0 0 0 Aan Vandeputte small GA method -1411 R4_S_D doublebond_intra_secDe_2H radadd_intra_cdsingleH 300-1500 3.24E+12 0.19 0 24.35 0 0 0 0 0 Aan Vandeputte small GA method -1412 R4_S_D doublebond_intra_secDe_HNd radadd_intra_cs2H 300-1500 1.49E+11 0.19 0 29.46 0 0 0 0 0 Aan Vandeputte small GA method -1413 R4_S_D doublebond_intra_secDe_HNd radadd_intra_csHNd 300-1500 1.08E+12 0.19 0 29.44 0 0 0 0 0 Aan Vandeputte small GA method -1414 R4_S_D doublebond_intra_secDe_HNd radadd_intra_csNdNd 300-1500 2.76E+11 0.19 0 29.20 0 0 0 0 0 Aan Vandeputte small GA method -1415 R4_S_D doublebond_intra_secDe_HNd radadd_intra_csHCd 300-1500 1.26E+12 0.19 0 36.20 0 0 0 0 0 Aan Vandeputte small GA method -1416 R4_S_D doublebond_intra_secDe_HNd radadd_intra_csNdCd 300-1500 3.57E+11 0.19 0 36.93 0 0 0 0 0 Aan Vandeputte small GA method -1417 R4_S_D doublebond_intra_secDe_HNd radadd_intra_csHCt 300-1500 6.28E+11 0.19 0 33.11 0 0 0 0 0 Aan Vandeputte small GA method -1418 R4_S_D doublebond_intra_secDe_HNd radadd_intra_csNdCt 300-1500 5.66E+11 0.19 0 34.05 0 0 0 0 0 Aan Vandeputte small GA method -1419 R4_S_D doublebond_intra_secDe_HNd radadd_intra_cdsingleH 300-1500 2.03E+13 0.19 0 24.68 0 0 0 0 0 Aan Vandeputte small GA method -1420 R4_S_D doublebond_intra_secDe_NdNd radadd_intra_cs2H 300-1500 3.26E+10 0.19 0 31.22 0 0 0 0 0 Aan Vandeputte small GA method -1421 R4_S_D doublebond_intra_secDe_NdNd radadd_intra_csHNd 300-1500 2.36E+11 0.19 0 31.21 0 0 0 0 0 Aan Vandeputte small GA method -1422 R4_S_D doublebond_intra_secDe_NdNd radadd_intra_csNdNd 300-1500 6.02E+10 0.19 0 30.97 0 0 0 0 0 Aan Vandeputte small GA method -1423 R4_S_D doublebond_intra_secDe_NdNd radadd_intra_csHCd 300-1500 2.76E+11 0.19 0 37.97 0 0 0 0 0 Aan Vandeputte small GA method -1424 R4_S_D doublebond_intra_secDe_NdNd radadd_intra_csNdCd 300-1500 7.81E+10 0.19 0 38.69 0 0 0 0 0 Aan Vandeputte small GA method -1425 R4_S_D doublebond_intra_secDe_NdNd radadd_intra_csHCt 300-1500 1.37E+11 0.19 0 34.87 0 0 0 0 0 Aan Vandeputte small GA method -1426 R4_S_D doublebond_intra_secDe_NdNd radadd_intra_csNdCt 300-1500 1.24E+11 0.19 0 35.82 0 0 0 0 0 Aan Vandeputte small GA method -1427 R4_S_D doublebond_intra_secDe_NdNd radadd_intra_cdsingleH 300-1500 4.43E+12 0.19 0 26.44 0 0 0 0 0 Aan Vandeputte small GA method -1428 R4_S_D doublebond_intra_secDe_HCd radadd_intra_cs2H 300-1500 4.24E+13 0.19 0 26.71 0 0 0 0 0 Aan Vandeputte small GA method -1429 R4_S_D doublebond_intra_secDe_HCd radadd_intra_csHNd 300-1500 3.07E+14 0.19 0 26.69 0 0 0 0 0 Aan Vandeputte small GA method -1430 R4_S_D doublebond_intra_secDe_HCd radadd_intra_csNdNd 300-1500 7.84E+13 0.19 0 26.45 0 0 0 0 0 Aan Vandeputte small GA method -1431 R4_S_D doublebond_intra_secDe_HCd radadd_intra_csHCd 300-1500 3.59E+14 0.19 0 33.45 0 0 0 0 0 Aan Vandeputte small GA method -1432 R4_S_D doublebond_intra_secDe_HCd radadd_intra_csNdCd 300-1500 1.02E+14 0.19 0 34.18 0 0 0 0 0 Aan Vandeputte small GA method -1433 R4_S_D doublebond_intra_secDe_HCd radadd_intra_csHCt 300-1500 1.79E+14 0.19 0 30.36 0 0 0 0 0 Aan Vandeputte small GA method -1434 R4_S_D doublebond_intra_secDe_HCd radadd_intra_csNdCt 300-1500 1.61E+14 0.19 0 31.30 0 0 0 0 0 Aan Vandeputte small GA method -1435 R4_S_D doublebond_intra_secDe_HCd radadd_intra_cdsingleH 300-1500 5.76E+15 0.19 0 21.93 0 0 0 0 0 Aan Vandeputte small GA method -1436 R4_S_D doublebond_intra_secDe_NdCd radadd_intra_cs2H 300-1500 3.16E+10 0.19 0 32.75 0 0 0 0 0 Aan Vandeputte small GA method -1437 R4_S_D doublebond_intra_secDe_NdCd radadd_intra_csHNd 300-1500 2.29E+11 0.19 0 32.73 0 0 0 0 0 Aan Vandeputte small GA method -1438 R4_S_D doublebond_intra_secDe_NdCd radadd_intra_csNdNd 300-1500 5.85E+10 0.19 0 32.49 0 0 0 0 0 Aan Vandeputte small GA method -1439 R4_S_D doublebond_intra_secDe_NdCd radadd_intra_csHCd 300-1500 2.68E+11 0.19 0 39.49 0 0 0 0 0 Aan Vandeputte small GA method -1440 R4_S_D doublebond_intra_secDe_NdCd radadd_intra_csNdCd 300-1500 7.58E+10 0.19 0 40.22 0 0 0 0 0 Aan Vandeputte small GA method -1441 R4_S_D doublebond_intra_secDe_NdCd radadd_intra_csHCt 300-1500 1.33E+11 0.19 0 36.40 0 0 0 0 0 Aan Vandeputte small GA method -1442 R4_S_D doublebond_intra_secDe_NdCd radadd_intra_csNdCt 300-1500 1.20E+11 0.19 0 37.34 0 0 0 0 0 Aan Vandeputte small GA method -1443 R4_S_D doublebond_intra_secDe_NdCd radadd_intra_cdsingleH 300-1500 4.30E+12 0.19 0 27.97 0 0 0 0 0 Aan Vandeputte small GA method -1444 R4_S_D doublebond_intra_secDe_HCt radadd_intra_cs2H 300-1500 4.24E+13 0.19 0 26.71 0 0 0 0 0 Aan Vandeputte small GA method -1445 R4_S_D doublebond_intra_secDe_HCt radadd_intra_csHNd 300-1500 3.07E+14 0.19 0 26.69 0 0 0 0 0 Aan Vandeputte small GA method -1446 R4_S_D doublebond_intra_secDe_HCt radadd_intra_csNdNd 300-1500 7.84E+13 0.19 0 26.45 0 0 0 0 0 Aan Vandeputte small GA method -1447 R4_S_D doublebond_intra_secDe_HCt radadd_intra_csHCd 300-1500 3.59E+14 0.19 0 33.45 0 0 0 0 0 Aan Vandeputte small GA method -1448 R4_S_D doublebond_intra_secDe_HCt radadd_intra_csNdCd 300-1500 1.02E+14 0.19 0 34.18 0 0 0 0 0 Aan Vandeputte small GA method -1449 R4_S_D doublebond_intra_secDe_HCt radadd_intra_csHCt 300-1500 1.79E+14 0.19 0 30.36 0 0 0 0 0 Aan Vandeputte small GA method -1450 R4_S_D doublebond_intra_secDe_HCt radadd_intra_csNdCt 300-1500 1.61E+14 0.19 0 31.30 0 0 0 0 0 Aan Vandeputte small GA method -1451 R4_S_D doublebond_intra_secDe_HCt radadd_intra_cdsingleH 300-1500 5.76E+15 0.19 0 21.93 0 0 0 0 0 Aan Vandeputte small GA method -1452 R4_S_D doublebond_intra_secDe_NdCt radadd_intra_cs2H 300-1500 3.13E+12 0.19 0 20.72 0 0 0 0 0 Aan Vandeputte small GA method -1453 R4_S_D doublebond_intra_secDe_NdCt radadd_intra_csHNd 300-1500 2.27E+13 0.19 0 20.70 0 0 0 0 0 Aan Vandeputte small GA method -1454 R4_S_D doublebond_intra_secDe_NdCt radadd_intra_csNdNd 300-1500 5.79E+12 0.19 0 20.46 0 0 0 0 0 Aan Vandeputte small GA method -1455 R4_S_D doublebond_intra_secDe_NdCt radadd_intra_csHCd 300-1500 2.65E+13 0.19 0 27.46 0 0 0 0 0 Aan Vandeputte small GA method -1456 R4_S_D doublebond_intra_secDe_NdCt radadd_intra_csNdCd 300-1500 7.51E+12 0.19 0 28.19 0 0 0 0 0 Aan Vandeputte small GA method -1457 R4_S_D doublebond_intra_secDe_NdCt radadd_intra_csHCt 300-1500 1.32E+13 0.19 0 24.37 0 0 0 0 0 Aan Vandeputte small GA method -1458 R4_S_D doublebond_intra_secDe_NdCt radadd_intra_csNdCt 300-1500 1.19E+13 0.19 0 25.31 0 0 0 0 0 Aan Vandeputte small GA method -1459 R4_S_D doublebond_intra_secDe_NdCt radadd_intra_cdsingleH 300-1500 4.26E+14 0.19 0 15.94 0 0 0 0 0 Aan Vandeputte small GA method -1460 R5_SS_D doublebond_intra_secDe_2H radadd_intra_cs2H 300-1500 6.35E+09 0.19 0 13.05 0 0 0 0 0 Aan Vandeputte small GA method -1461 R5_SS_D doublebond_intra_secDe_2H radadd_intra_csHNd 300-1500 4.60E+10 0.19 0 13.03 0 0 0 0 0 Aan Vandeputte small GA method -1462 R5_SS_D doublebond_intra_secDe_2H radadd_intra_csNdNd 300-1500 1.17E+10 0.19 0 12.79 0 0 0 0 0 Aan Vandeputte small GA method -1463 R5_SS_D doublebond_intra_secDe_2H radadd_intra_csHCd 300-1500 5.37E+10 0.19 0 19.79 0 0 0 0 0 Aan Vandeputte small GA method -1464 R5_SS_D doublebond_intra_secDe_2H radadd_intra_csNdCd 300-1500 1.52E+10 0.19 0 20.52 0 0 0 0 0 Aan Vandeputte small GA method -1465 R5_SS_D doublebond_intra_secDe_2H radadd_intra_csHCt 300-1500 2.67E+10 0.19 0 16.70 0 0 0 0 0 Aan Vandeputte small GA method -1466 R5_SS_D doublebond_intra_secDe_2H radadd_intra_csNdCt 300-1500 2.41E+10 0.19 0 17.64 0 0 0 0 0 Aan Vandeputte small GA method -1467 R5_SS_D doublebond_intra_secDe_2H radadd_intra_cdsingleH 300-1500 8.62E+11 0.19 0 8.27 0 0 0 0 0 Aan Vandeputte small GA method -1468 R5_SS_D doublebond_intra_secDe_HNd radadd_intra_cs2H 300-1500 3.97E+10 0.19 0 13.38 0 0 0 0 0 Aan Vandeputte small GA method -1469 R5_SS_D doublebond_intra_secDe_HNd radadd_intra_csHNd 300-1500 2.87E+11 0.19 0 13.36 0 0 0 0 0 Aan Vandeputte small GA method -1470 R5_SS_D doublebond_intra_secDe_HNd radadd_intra_csNdNd 300-1500 7.34E+10 0.19 0 13.12 0 0 0 0 0 Aan Vandeputte small GA method -1471 R5_SS_D doublebond_intra_secDe_HNd radadd_intra_csHCd 300-1500 3.36E+11 0.19 0 20.12 0 0 0 0 0 Aan Vandeputte small GA method -1472 R5_SS_D doublebond_intra_secDe_HNd radadd_intra_csNdCd 300-1500 9.51E+10 0.19 0 20.85 0 0 0 0 0 Aan Vandeputte small GA method -1473 R5_SS_D doublebond_intra_secDe_HNd radadd_intra_csHCt 300-1500 1.67E+11 0.19 0 17.03 0 0 0 0 0 Aan Vandeputte small GA method -1474 R5_SS_D doublebond_intra_secDe_HNd radadd_intra_csNdCt 300-1500 1.51E+11 0.19 0 17.97 0 0 0 0 0 Aan Vandeputte small GA method -1475 R5_SS_D doublebond_intra_secDe_HNd radadd_intra_cdsingleH 300-1500 5.39E+12 0.19 0 8.60 0 0 0 0 0 Aan Vandeputte small GA method -1476 R5_SS_D doublebond_intra_secDe_NdNd radadd_intra_cs2H 300-1500 8.67E+09 0.19 0 15.14 0 0 0 0 0 Aan Vandeputte small GA method -1477 R5_SS_D doublebond_intra_secDe_NdNd radadd_intra_csHNd 300-1500 6.28E+10 0.19 0 15.12 0 0 0 0 0 Aan Vandeputte small GA method -1478 R5_SS_D doublebond_intra_secDe_NdNd radadd_intra_csNdNd 300-1500 1.60E+10 0.19 0 14.88 0 0 0 0 0 Aan Vandeputte small GA method -1479 R5_SS_D doublebond_intra_secDe_NdNd radadd_intra_csHCd 300-1500 7.34E+10 0.19 0 21.88 0 0 0 0 0 Aan Vandeputte small GA method -1480 R5_SS_D doublebond_intra_secDe_NdNd radadd_intra_csNdCd 300-1500 2.08E+10 0.19 0 22.61 0 0 0 0 0 Aan Vandeputte small GA method -1481 R5_SS_D doublebond_intra_secDe_NdNd radadd_intra_csHCt 300-1500 3.66E+10 0.19 0 18.79 0 0 0 0 0 Aan Vandeputte small GA method -1482 R5_SS_D doublebond_intra_secDe_NdNd radadd_intra_csNdCt 300-1500 3.29E+10 0.19 0 19.73 0 0 0 0 0 Aan Vandeputte small GA method -1483 R5_SS_D doublebond_intra_secDe_NdNd radadd_intra_cdsingleH 300-1500 1.18E+12 0.19 0 10.36 0 0 0 0 0 Aan Vandeputte small GA method -1484 R5_SS_D doublebond_intra_secDe_HCd radadd_intra_cs2H 300-1500 1.13E+13 0.19 0 10.63 0 0 0 0 0 Aan Vandeputte small GA method -1485 R5_SS_D doublebond_intra_secDe_HCd radadd_intra_csHNd 300-1500 8.17E+13 0.19 0 10.61 0 0 0 0 0 Aan Vandeputte small GA method -1486 R5_SS_D doublebond_intra_secDe_HCd radadd_intra_csNdNd 300-1500 2.09E+13 0.19 0 10.37 0 0 0 0 0 Aan Vandeputte small GA method -1487 R5_SS_D doublebond_intra_secDe_HCd radadd_intra_csHCd 300-1500 9.55E+13 0.19 0 17.37 0 0 0 0 0 Aan Vandeputte small GA method -1488 R5_SS_D doublebond_intra_secDe_HCd radadd_intra_csNdCd 300-1500 2.70E+13 0.19 0 18.10 0 0 0 0 0 Aan Vandeputte small GA method -1489 R5_SS_D doublebond_intra_secDe_HCd radadd_intra_csHCt 300-1500 4.76E+13 0.19 0 14.28 0 0 0 0 0 Aan Vandeputte small GA method -1490 R5_SS_D doublebond_intra_secDe_HCd radadd_intra_csNdCt 300-1500 4.28E+13 0.19 0 15.22 0 0 0 0 0 Aan Vandeputte small GA method -1491 R5_SS_D doublebond_intra_secDe_HCd radadd_intra_cdsingleH 300-1500 1.53E+15 0.19 0 5.85 0 0 0 0 0 Aan Vandeputte small GA method -1492 R5_SS_D doublebond_intra_secDe_NdCd radadd_intra_cs2H 300-1500 8.42E+09 0.19 0 16.67 0 0 0 0 0 Aan Vandeputte small GA method -1493 R5_SS_D doublebond_intra_secDe_NdCd radadd_intra_csHNd 300-1500 6.10E+10 0.19 0 16.65 0 0 0 0 0 Aan Vandeputte small GA method -1494 R5_SS_D doublebond_intra_secDe_NdCd radadd_intra_csNdNd 300-1500 1.56E+10 0.19 0 16.41 0 0 0 0 0 Aan Vandeputte small GA method -1495 R5_SS_D doublebond_intra_secDe_NdCd radadd_intra_csHCd 300-1500 7.13E+10 0.19 0 23.41 0 0 0 0 0 Aan Vandeputte small GA method -1496 R5_SS_D doublebond_intra_secDe_NdCd radadd_intra_csNdCd 300-1500 2.02E+10 0.19 0 24.14 0 0 0 0 0 Aan Vandeputte small GA method -1497 R5_SS_D doublebond_intra_secDe_NdCd radadd_intra_csHCt 300-1500 3.55E+10 0.19 0 20.32 0 0 0 0 0 Aan Vandeputte small GA method -1498 R5_SS_D doublebond_intra_secDe_NdCd radadd_intra_csNdCt 300-1500 3.19E+10 0.19 0 21.26 0 0 0 0 0 Aan Vandeputte small GA method -1499 R5_SS_D doublebond_intra_secDe_NdCd radadd_intra_cdsingleH 300-1500 1.14E+12 0.19 0 11.89 0 0 0 0 0 Aan Vandeputte small GA method -1500 R5_SS_D doublebond_intra_secDe_HCt radadd_intra_cs2H 300-1500 1.13E+13 0.19 0 10.63 0 0 0 0 0 Aan Vandeputte small GA method -1501 R5_SS_D doublebond_intra_secDe_HCt radadd_intra_csHNd 300-1500 8.17E+13 0.19 0 10.61 0 0 0 0 0 Aan Vandeputte small GA method -1502 R5_SS_D doublebond_intra_secDe_HCt radadd_intra_csNdNd 300-1500 2.09E+13 0.19 0 10.37 0 0 0 0 0 Aan Vandeputte small GA method -1503 R5_SS_D doublebond_intra_secDe_HCt radadd_intra_csHCd 300-1500 9.55E+13 0.19 0 17.37 0 0 0 0 0 Aan Vandeputte small GA method -1504 R5_SS_D doublebond_intra_secDe_HCt radadd_intra_csNdCd 300-1500 2.70E+13 0.19 0 18.10 0 0 0 0 0 Aan Vandeputte small GA method -1505 R5_SS_D doublebond_intra_secDe_HCt radadd_intra_csHCt 300-1500 4.76E+13 0.19 0 14.28 0 0 0 0 0 Aan Vandeputte small GA method -1506 R5_SS_D doublebond_intra_secDe_HCt radadd_intra_csNdCt 300-1500 4.28E+13 0.19 0 15.22 0 0 0 0 0 Aan Vandeputte small GA method -1507 R5_SS_D doublebond_intra_secDe_HCt radadd_intra_cdsingleH 300-1500 1.53E+15 0.19 0 5.85 0 0 0 0 0 Aan Vandeputte small GA method -1508 R5_SS_D doublebond_intra_secDe_NdCt radadd_intra_cs2H 300-1500 8.34E+11 0.19 0 4.64 0 0 0 0 0 Aan Vandeputte small GA method -1509 R5_SS_D doublebond_intra_secDe_NdCt radadd_intra_csHNd 300-1500 6.04E+12 0.19 0 4.62 0 0 0 0 0 Aan Vandeputte small GA method -1510 R5_SS_D doublebond_intra_secDe_NdCt radadd_intra_csNdNd 300-1500 1.54E+12 0.19 0 4.38 0 0 0 0 0 Aan Vandeputte small GA method -1511 R5_SS_D doublebond_intra_secDe_NdCt radadd_intra_csHCd 300-1500 7.06E+12 0.19 0 11.38 0 0 0 0 0 Aan Vandeputte small GA method -1512 R5_SS_D doublebond_intra_secDe_NdCt radadd_intra_csNdCd 300-1500 2.00E+12 0.19 0 12.11 0 0 0 0 0 Aan Vandeputte small GA method -1513 R5_SS_D doublebond_intra_secDe_NdCt radadd_intra_csHCt 300-1500 3.51E+12 0.19 0 8.29 0 0 0 0 0 Aan Vandeputte small GA method -1514 R5_SS_D doublebond_intra_secDe_NdCt radadd_intra_csNdCt 300-1500 3.16E+12 0.19 0 9.23 0 0 0 0 0 Aan Vandeputte small GA method -1515 R5_SS_D doublebond_intra_secDe_NdCt radadd_intra_cdsingleH 300-1500 1.13E+14 0.19 0 -0.14 0 0 0 0 0 Aan Vandeputte small GA method -1516 R6_SMS_D doublebond_intra_secDe_2H radadd_intra_cs2H 300-1500 1.71E+10 0.19 0 20.58 0 0 0 0 0 Aan Vandeputte small GA method -1517 R6_SMS_D doublebond_intra_secDe_2H radadd_intra_csHNd 300-1500 1.24E+11 0.19 0 20.56 0 0 0 0 0 Aan Vandeputte small GA method -1518 R6_SMS_D doublebond_intra_secDe_2H radadd_intra_csNdNd 300-1500 3.16E+10 0.19 0 20.32 0 0 0 0 0 Aan Vandeputte small GA method -1519 R6_SMS_D doublebond_intra_secDe_2H radadd_intra_csHCd 300-1500 1.44E+11 0.19 0 27.32 0 0 0 0 0 Aan Vandeputte small GA method -1520 R6_SMS_D doublebond_intra_secDe_2H radadd_intra_csNdCd 300-1500 4.09E+10 0.19 0 28.05 0 0 0 0 0 Aan Vandeputte small GA method -1521 R6_SMS_D doublebond_intra_secDe_2H radadd_intra_csHCt 300-1500 7.19E+10 0.19 0 24.23 0 0 0 0 0 Aan Vandeputte small GA method -1522 R6_SMS_D doublebond_intra_secDe_2H radadd_intra_csNdCt 300-1500 6.47E+10 0.19 0 25.17 0 0 0 0 0 Aan Vandeputte small GA method -1523 R6_SMS_D doublebond_intra_secDe_2H radadd_intra_cdsingleH 300-1500 2.32E+12 0.19 0 15.80 0 0 0 0 0 Aan Vandeputte small GA method -1524 R6_SMS_D doublebond_intra_secDe_HNd radadd_intra_cs2H 300-1500 1.07E+11 0.19 0 20.91 0 0 0 0 0 Aan Vandeputte small GA method -1525 R6_SMS_D doublebond_intra_secDe_HNd radadd_intra_csHNd 300-1500 7.73E+11 0.19 0 20.89 0 0 0 0 0 Aan Vandeputte small GA method -1526 R6_SMS_D doublebond_intra_secDe_HNd radadd_intra_csNdNd 300-1500 1.97E+11 0.19 0 20.65 0 0 0 0 0 Aan Vandeputte small GA method -1527 R6_SMS_D doublebond_intra_secDe_HNd radadd_intra_csHCd 300-1500 9.04E+11 0.19 0 27.65 0 0 0 0 0 Aan Vandeputte small GA method -1528 R6_SMS_D doublebond_intra_secDe_HNd radadd_intra_csNdCd 300-1500 2.56E+11 0.19 0 28.38 0 0 0 0 0 Aan Vandeputte small GA method -1529 R6_SMS_D doublebond_intra_secDe_HNd radadd_intra_csHCt 300-1500 4.50E+11 0.19 0 24.55 0 0 0 0 0 Aan Vandeputte small GA method -1530 R6_SMS_D doublebond_intra_secDe_HNd radadd_intra_csNdCt 300-1500 4.05E+11 0.19 0 25.50 0 0 0 0 0 Aan Vandeputte small GA method -1531 R6_SMS_D doublebond_intra_secDe_HNd radadd_intra_cdsingleH 300-1500 1.45E+13 0.19 0 16.13 0 0 0 0 0 Aan Vandeputte small GA method -1532 R6_SMS_D doublebond_intra_secDe_NdNd radadd_intra_cs2H 300-1500 2.33E+10 0.19 0 22.67 0 0 0 0 0 Aan Vandeputte small GA method -1533 R6_SMS_D doublebond_intra_secDe_NdNd radadd_intra_csHNd 300-1500 1.69E+11 0.19 0 22.65 0 0 0 0 0 Aan Vandeputte small GA method -1534 R6_SMS_D doublebond_intra_secDe_NdNd radadd_intra_csNdNd 300-1500 4.31E+10 0.19 0 22.41 0 0 0 0 0 Aan Vandeputte small GA method -1535 R6_SMS_D doublebond_intra_secDe_NdNd radadd_intra_csHCd 300-1500 1.97E+11 0.19 0 29.41 0 0 0 0 0 Aan Vandeputte small GA method -1536 R6_SMS_D doublebond_intra_secDe_NdNd radadd_intra_csNdCd 300-1500 5.59E+10 0.19 0 30.14 0 0 0 0 0 Aan Vandeputte small GA method -1537 R6_SMS_D doublebond_intra_secDe_NdNd radadd_intra_csHCt 300-1500 9.83E+10 0.19 0 26.32 0 0 0 0 0 Aan Vandeputte small GA method -1538 R6_SMS_D doublebond_intra_secDe_NdNd radadd_intra_csNdCt 300-1500 8.85E+10 0.19 0 27.26 0 0 0 0 0 Aan Vandeputte small GA method -1539 R6_SMS_D doublebond_intra_secDe_NdNd radadd_intra_cdsingleH 300-1500 3.17E+12 0.19 0 17.89 0 0 0 0 0 Aan Vandeputte small GA method -1540 R6_SMS_D doublebond_intra_secDe_HCd radadd_intra_cs2H 300-1500 3.03E+13 0.19 0 18.16 0 0 0 0 0 Aan Vandeputte small GA method -1541 R6_SMS_D doublebond_intra_secDe_HCd radadd_intra_csHNd 300-1500 2.20E+14 0.19 0 18.14 0 0 0 0 0 Aan Vandeputte small GA method -1542 R6_SMS_D doublebond_intra_secDe_HCd radadd_intra_csNdNd 300-1500 5.61E+13 0.19 0 17.90 0 0 0 0 0 Aan Vandeputte small GA method -1543 R6_SMS_D doublebond_intra_secDe_HCd radadd_intra_csHCd 300-1500 2.57E+14 0.19 0 24.90 0 0 0 0 0 Aan Vandeputte small GA method -1544 R6_SMS_D doublebond_intra_secDe_HCd radadd_intra_csNdCd 300-1500 7.27E+13 0.19 0 25.63 0 0 0 0 0 Aan Vandeputte small GA method -1545 R6_SMS_D doublebond_intra_secDe_HCd radadd_intra_csHCt 300-1500 1.28E+14 0.19 0 21.80 0 0 0 0 0 Aan Vandeputte small GA method -1546 R6_SMS_D doublebond_intra_secDe_HCd radadd_intra_csNdCt 300-1500 1.15E+14 0.19 0 22.75 0 0 0 0 0 Aan Vandeputte small GA method -1547 R6_SMS_D doublebond_intra_secDe_HCd radadd_intra_cdsingleH 300-1500 4.12E+15 0.19 0 13.38 0 0 0 0 0 Aan Vandeputte small GA method -1548 R6_SMS_D doublebond_intra_secDe_NdCd radadd_intra_cs2H 300-1500 2.26E+10 0.19 0 24.20 0 0 0 0 0 Aan Vandeputte small GA method -1549 R6_SMS_D doublebond_intra_secDe_NdCd radadd_intra_csHNd 300-1500 1.64E+11 0.19 0 24.18 0 0 0 0 0 Aan Vandeputte small GA method -1550 R6_SMS_D doublebond_intra_secDe_NdCd radadd_intra_csNdNd 300-1500 4.19E+10 0.19 0 23.94 0 0 0 0 0 Aan Vandeputte small GA method -1551 R6_SMS_D doublebond_intra_secDe_NdCd radadd_intra_csHCd 300-1500 1.92E+11 0.19 0 30.94 0 0 0 0 0 Aan Vandeputte small GA method -1552 R6_SMS_D doublebond_intra_secDe_NdCd radadd_intra_csNdCd 300-1500 5.43E+10 0.19 0 31.66 0 0 0 0 0 Aan Vandeputte small GA method -1553 R6_SMS_D doublebond_intra_secDe_NdCd radadd_intra_csHCt 300-1500 9.54E+10 0.19 0 27.84 0 0 0 0 0 Aan Vandeputte small GA method -1554 R6_SMS_D doublebond_intra_secDe_NdCd radadd_intra_csNdCt 300-1500 8.59E+10 0.19 0 28.79 0 0 0 0 0 Aan Vandeputte small GA method -1555 R6_SMS_D doublebond_intra_secDe_NdCd radadd_intra_cdsingleH 300-1500 3.08E+12 0.19 0 19.42 0 0 0 0 0 Aan Vandeputte small GA method -1556 R6_SMS_D doublebond_intra_secDe_HCt radadd_intra_cs2H 300-1500 3.03E+13 0.19 0 18.16 0 0 0 0 0 Aan Vandeputte small GA method -1557 R6_SMS_D doublebond_intra_secDe_HCt radadd_intra_csHNd 300-1500 2.20E+14 0.19 0 18.14 0 0 0 0 0 Aan Vandeputte small GA method -1558 R6_SMS_D doublebond_intra_secDe_HCt radadd_intra_csNdNd 300-1500 5.61E+13 0.19 0 17.90 0 0 0 0 0 Aan Vandeputte small GA method -1559 R6_SMS_D doublebond_intra_secDe_HCt radadd_intra_csHCd 300-1500 2.57E+14 0.19 0 24.90 0 0 0 0 0 Aan Vandeputte small GA method -1560 R6_SMS_D doublebond_intra_secDe_HCt radadd_intra_csNdCd 300-1500 7.27E+13 0.19 0 25.63 0 0 0 0 0 Aan Vandeputte small GA method -1561 R6_SMS_D doublebond_intra_secDe_HCt radadd_intra_csHCt 300-1500 1.28E+14 0.19 0 21.80 0 0 0 0 0 Aan Vandeputte small GA method -1562 R6_SMS_D doublebond_intra_secDe_HCt radadd_intra_csNdCt 300-1500 1.15E+14 0.19 0 22.75 0 0 0 0 0 Aan Vandeputte small GA method -1563 R6_SMS_D doublebond_intra_secDe_HCt radadd_intra_cdsingleH 300-1500 4.12E+15 0.19 0 13.38 0 0 0 0 0 Aan Vandeputte small GA method -1564 R6_SMS_D doublebond_intra_secDe_NdCt radadd_intra_cs2H 300-1500 2.24E+12 0.19 0 12.17 0 0 0 0 0 Aan Vandeputte small GA method -1565 R6_SMS_D doublebond_intra_secDe_NdCt radadd_intra_csHNd 300-1500 1.62E+13 0.19 0 12.15 0 0 0 0 0 Aan Vandeputte small GA method -1566 R6_SMS_D doublebond_intra_secDe_NdCt radadd_intra_csNdNd 300-1500 4.15E+12 0.19 0 11.91 0 0 0 0 0 Aan Vandeputte small GA method -1567 R6_SMS_D doublebond_intra_secDe_NdCt radadd_intra_csHCd 300-1500 1.90E+13 0.19 0 18.91 0 0 0 0 0 Aan Vandeputte small GA method -1568 R6_SMS_D doublebond_intra_secDe_NdCt radadd_intra_csNdCd 300-1500 5.37E+12 0.19 0 19.64 0 0 0 0 0 Aan Vandeputte small GA method -1569 R6_SMS_D doublebond_intra_secDe_NdCt radadd_intra_csHCt 300-1500 9.45E+12 0.19 0 15.81 0 0 0 0 0 Aan Vandeputte small GA method -1570 R6_SMS_D doublebond_intra_secDe_NdCt radadd_intra_csNdCt 300-1500 8.51E+12 0.19 0 16.76 0 0 0 0 0 Aan Vandeputte small GA method -1571 R6_SMS_D doublebond_intra_secDe_NdCt radadd_intra_cdsingleH 300-1500 3.05E+14 0.19 0 7.39 0 0 0 0 0 Aan Vandeputte small GA method - -//Added AG Vandeputte, rate rules for R7 to R9 still missing, taken from R6_SMS -1572 R9_SDSSSD doublebond_intra_pri_2H radadd_intra_cs2H 300-1500 1.71E+10 0.19 0 20.58 0 0 0 0 0 Aan Vandeputte small GA method - - - - diff --git a/output/RMG_database/kinetics_groups/Intra_R_Add_Endocyclic/reactionAdjList.txt b/output/RMG_database/kinetics_groups/Intra_R_Add_Endocyclic/reactionAdjList.txt deleted file mode 100644 index 128d71e76b..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_R_Add_Endocyclic/reactionAdjList.txt +++ /dev/null @@ -1,22 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Nov. 18, 2002 // -// // -////////////////////////////////////////////////////// - - -// f29 intra Radical addition to form endocyclic radical - -Rn -> RnCyclic - -forward -reverse(f30): Ring_Open_Endo_Cycli_Radical - -Actions 1 -(1) CHANGE_BOND {*2,-1,*3} -(2) FORM_BOND {*1,S,*3} -(3) GAIN_RADICAL {*2,1} -(4) LOSE_RADICAL {*1,1} - diff --git a/output/RMG_database/kinetics_groups/Intra_R_Add_Endocyclic/tree.txt b/output/RMG_database/kinetics_groups/Intra_R_Add_Endocyclic/tree.txt deleted file mode 100644 index 02949d4f3e..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_R_Add_Endocyclic/tree.txt +++ /dev/null @@ -1,193 +0,0 @@ -// intramolecular addition to form an endo radical -// R(.)()nR'<->R" ---->cyclic endo radical -// from Sumathy, Jan, 29, 2003 - -// f29_intramolecular_addition_form_endocyclic_radical - -L1: Rn - L2: R3 - L3: R3_D - L3: R3_T - L3: R3_CO - L3: R3_C=S - L2: R4 - L3: R4_S - L4: R4_S_D - L4: R4_S_T - L4: R4_S_CO - L3: R4_D - L4: R4_D_D - L4: R4_D_T - L4: R4_D_CO - L3: R4_T - L4: R4_T_D - L4: R4_T_T - L4: R4_T_CO - L3: R4_B - L4: R4_B_D - L4: R4_B_T - L4: R4_B_CO - L2: R5 - L3: R5_SS - L4: R5_SS_D - L4: R5_SS_T - L4: R5_SS_CO - L3: R5_SD - L4: R5_SD_D - L4: R5_SD_T - L4: R5_SD_CO - L3: R5_DS - L4: R5_DS_D - L4: R5_DS_T - L4: R5_DS_CO -// L3: R5_DS_allenic -// L4: R5_DS_allenic_D -// L4: R5_DS_allenic_CO - L3: R5_ST - L4: R5_ST_D - L4: R5_ST_T - L4: R5_ST_CO - L3: R5_TS - L4: R5_TS_D - L4: R5_TS_T - L4: R5_TS_CO - L3: R5_SB - L4: R5_SB_D - L4: R5_SB_T - L4: R5_SB_CO - L3: R5_BS - L4: R5_BS_D - L4: R5_BS_T - L4: R5_BS_CO - L3: R5_BB - L4: R5_BB_D - L4: R5_BB_T - L4: R5_BB_CO -// L3: R5_SDD - L2: R6 - L3: R6_RSR - L4: R6_SSR - L5: R6_SSS - L6: R6_SSS_D - L6: R6_SSS_T - L6: R6_SSS_CO - L5: R6_SSM - L6: R6_SSM_D - L6: R6_SSM_T - L6: R6_SSM_CO - L4: R6_DSR - L5: R6_DSS - L6: R6_DSS_D - L6: R6_DSS_T - L6: R6_DSS_CO - L5: R6_DSM - L6: R6_DSM_D - L6: R6_DSM_T - L6: R6_DSM_CO - L4: R6_TSR - L5: R6_TSS - L6: R6_TSS_D - L6: R6_TSS_T - L6: R6_TSS_CO - L5: R6_TSM - L6: R6_TSM_D - L6: R6_TSM_T - L6: R6_TSM_CO - L4: R6_BSR - L5: R6_BSS - L6: R6_BSS_D - L6: R6_BSS_T - L6: R6_BSS_CO - L5: R6_BSM - L6: R6_BSM_D - L6: R6_BSM_T - L6: R6_BSM_CO - L3: R6_SMS - L4: R6_SMS_D - L4: R6_SMS_T - L4: R6_SMS_CO - L3: R6_SBB - L4: R6_SBB_D - L4: R6_SBB_T - L4: R6_SBB_CO - L3: R6_BBS - L4: R6_BBS_D - L4: R6_BBS_T - L4: R6_BBS_CO - L2: R7 - L2: R8 - L2: R9 - L3: R9_SSSSSD - L3: R9_SDSSSD - -L1: multiplebond_intra - L2: doublebond_intra - L3: doublebond_intra_pri - L4: doublebond_intra_pri_2H - L4: doublebond_intra_pri_HNd - L4: doublebond_intra_pri_HDe - L5: doublebond_intra_pri_HCd - L5: doublebond_intra_pri_HCt - L4: doublebond_intra_pri_NdNd - L4: doublebond_intra_pri_NdDe - L5: doublebond_intra_pri_NdCd - L5: doublebond_intra_pri_NdCt - L4: doublebond_intra_pri_DeDe - L3: doublebond_intra_secNd - L4: doublebond_intra_secNd_2H - L4: doublebond_intra_secNd_HNd - L4: doublebond_intra_secNd_HDe - L5: doublebond_intra_secNd_HCd - L5: doublebond_intra_secNd_HCt - L4: doublebond_intra_secNd_NdNd - L4: doublebond_intra_secNd_NdDe - L5: doublebond_intra_secNd_NdCd - L5: doublebond_intra_secNd_NdCt - L4: doublebond_intra_secNd_DeDe - L3: doublebond_intra_secDe - L4: doublebond_intra_secDe_2H - L4: doublebond_intra_secDe_HNd - L4: doublebond_intra_secDe_HDe - L5: doublebond_intra_secDe_HCd - L5: doublebond_intra_secDe_HCt - L4: doublebond_intra_secDe_NdNd - L4: doublebond_intra_secDe_NdDe - L5: doublebond_intra_secDe_NdCd - L5: doublebond_intra_secDe_NdCt - - L4: doublebond_intra_secDe_DeDe - L2: triplebond_intra - L3: triplebond_intra_H - L3: triplebond_intra_Nd - L3: triplebond_intra_De - L2: carbonyl_intra - L3: carbonyl_intra_H - L3: carbonyl_intra_Nd - L3: carbonyl_intra_De - L2: thiyl_intra - L3: thiyl_intra_H - L3: thiyl_intra_Nd - L3: thiyl_intra_De - -L1: radadd_intra - L2: radadd_intra_cs - L3: radadd_intra_cs2H - L3: radadd_intra_csHNd - L3: radadd_intra_csHDe - L4: radadd_intra_csHCd - L4: radadd_intra_csHCt - L3: radadd_intra_csNdNd - L3: radadd_intra_csNdDe - L4: radadd_intra_csNdCd - L4: radadd_intra_csNdCt - L3: radadd_intra_csDeDe - L2: radadd_intra_cdsingle - L3: radadd_intra_cdsingleH - L3: radadd_intra_cdsingleNd - L3: radadd_intra_cdsingleDe - L2: radadd_intra_cddouble - L2: radadd_intra_CO - L2: radadd_intra_O - L2: radadd_intra_S - L2: radadd_intra_Cb - L2: radadd_intra_Ct diff --git a/output/RMG_database/kinetics_groups/Intra_R_Add_Exocyclic/comments.rst b/output/RMG_database/kinetics_groups/Intra_R_Add_Exocyclic/comments.rst deleted file mode 100644 index 4041f19d38..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_R_Add_Exocyclic/comments.rst +++ /dev/null @@ -1,27 +0,0 @@ -General comments go at the top of the file, - -------- -General -------- -or in a section(s) titled 'General' - -.. the ID must match those in the rateLibrary AS A STRING (ie. '2' is different from '02') - ---- -813 ---- -MRH CBS-QB3 calculations for the reaction CH2=CH-CH2-OO => *CH2-cycle(CH-CH2-O-O) - -Previous RMG estimate for this reaction was an "Average of average" estimate. This reaction was of -interest to MRH/MHS because the butanol model was sensitive to allyl+O2 => CH2O+CH2CHO. The high-p -limit kinetics were necessary to estimate a k(T,P) for this PES. - -Reactant: 2 hindered rotors were considered (the OO and CH2OO torsions) -TS: 0 hindered rotors were considered (the only low-frequency torisonal mode corresponded to - a hindered rotation within the cycle; MRH did not think treating this as a 1-d separable - hindered rotor was accurate) -Product: 1 hindered rotor was considered (the *CH2 torsion) - -All external symmetry numbers were set equal to one. The k(T) was calculated from 600 - 2000 K, -in 200 K intervals, and the fitted Arrhenius expression from CanTherm was: -k(T) = 2.724e+10 * (T/1K)^0.478 * exp(-29.169 kcal/mol / RT) cm3/mol/s. diff --git a/output/RMG_database/kinetics_groups/Intra_R_Add_Exocyclic/dictionary.txt b/output/RMG_database/kinetics_groups/Intra_R_Add_Exocyclic/dictionary.txt deleted file mode 100644 index ad1db463da..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_R_Add_Exocyclic/dictionary.txt +++ /dev/null @@ -1,1894 +0,0 @@ -//f27_intra_radical_addition_to_exocyclic_radical - -Rn -Union {R4, R5, R6, R7} - -//R4 groups - -R4 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} X {1,{S,D,T,B}} {3,S} -3 *2 {Cd,Ct,CO} 0 {2,S} {4,{D,T}} -4 *3 {Cd,Ct,Od} 0 {3,{D,T}} - -R4_S -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *2 {Cd,Ct,CO} 0 {2,S} {4,{D,T}} -4 *3 {Cd,Ct,Od} 0 {3,{D,T}} - -R4_S_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} - -R4_S_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 Ct 0 {2,S} {4,T} -4 *3 Ct 0 {3,T} - -R4_S_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 CO 0 {2,S} {4,D} -4 *3 Od 0 {3,D} - -R4_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *2 {Cd,Ct,CO} 0 {2,S} {4,{D,T}} -4 *3 {Cd,Ct,Od} 0 {3,{D,T}} - -R4_D_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} - -R4_D_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *2 Ct 0 {2,S} {4,T} -4 *3 Ct 0 {3,T} - -R4_D_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *2 CO 0 {2,S} {4,D} -4 *3 Od 0 {3,D} - -R4_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *2 {Cd,Ct,CO} 0 {2,S} {4,{D,T}} -4 *3 {Cd,Ct,Od} 0 {3,{D,T}} - -R4_T_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} - -R4_T_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *2 Ct 0 {2,S} {4,T} -4 *3 Ct 0 {3,T} - -R4_T_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *2 CO 0 {2,S} {4,D} -4 *3 Od 0 {3,D} - -R4_B -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *2 {Cd,Ct,CO} 0 {2,S} {4,{D,T}} -4 *3 {Cd,Ct,Od} 0 {3,{D,T}} - -R4_B_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} - -R4_B_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *2 Ct 0 {2,S} {4,T} -4 *3 Ct 0 {3,T} - -R4_B_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *2 CO 0 {2,S} {4,D} -4 *3 Od 0 {3,D} - -//R5 groups - -R5 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} X {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *5 {R!H} X {2,{S,D,T,B}}, {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S}, {5,{D,T}} -5 *3 {Cd,Ct,Od,Sd} 0 {4,{D,T}} - -R5_SS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S} {5,{D,T}} -5 *3 {Cd,Ct,Od} 0 {4,{D,T}} - -R5_SS_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} - -R5_SS_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 Ct 0 {3,S} {5,T} -5 *3 Ct 0 {4,T} - -R5_SS_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 CO 0 {3,S} {5,D} -5 *3 Od 0 {4,D} - -R5_SD -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S} {3,D} -3 *5 Cd 0 {2,D} {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S} {5,{D,T}} -5 *3 {Cd,Ct,Od} 0 {4,{D,T}} - -R5_SD_D -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S} {3,D} -3 *5 Cd 0 {2,D} {4,S} -4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} - -R5_SD_T -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S} {3,D} -3 *5 Cd 0 {2,D} {4,S} -4 *2 Ct 0 {3,S} {5,T} -5 *3 Ct 0 {4,T} - -R5_SD_CO -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S} {3,D} -3 *5 Cd 0 {2,D} {4,S} -4 *2 CO 0 {3,S} {5,D} -5 *3 Od 0 {4,D} - -R5_DS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S} {5,{D,T}} -5 *3 {Cd,Ct,Od} 0 {4,{D,T}} - -R5_DS_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} - -R5_DS_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 Ct 0 {3,S} {5,T} -5 *3 Ct 0 {4,T} - -R5_DS_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 CO 0 {3,S} {5,D} -5 *3 Od 0 {4,D} - -R5_ST -1 *1 {R!H} 1 {2,S} -2 *4 Ct 0 {1,S} {3,T} -3 *5 Ct 0 {2,T} {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S} {5,{D,T}} -5 *3 {Cd,Ct,Od} 0 {4,{D,T}} - -R5_ST_D -1 *1 {R!H} 1 {2,S} -2 *4 Ct 0 {1,S} {3,T} -3 *5 Ct 0 {2,T} {4,S} -4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} - -R5_ST_T -1 *1 {R!H} 1 {2,S} -2 *4 Ct 0 {1,S} {3,T} -3 *5 Ct 0 {2,T} {4,S} -4 *2 Ct 0 {3,S} {5,T} -5 *3 Ct 0 {4,T} - -R5_ST_CO -1 *1 {R!H} 1 {2,S} -2 *4 Ct 0 {1,S} {3,T} -3 *5 Ct 0 {2,T} {4,S} -4 *2 CO 0 {3,S} {5,D} -5 *3 Od 0 {4,D} - -R5_TS -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S} {5,{D,T}} -5 *3 {Cd,Ct,Od} 0 {4,{D,T}} - -R5_TS_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} - -R5_TS_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 Ct 0 {3,S} {5,T} -5 *3 Ct 0 {4,T} - -R5_TS_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 CO 0 {3,S} {5,D} -5 *3 Od 0 {4,D} - -R5_SB -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 *5 Cb 0 {2,B} {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S} {5,{D,T}} -5 *3 {Cd,Ct,Od} 0 {4,{D,T}} - -R5_SB_D -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 *5 Cb 0 {2,B} {4,S} -4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} - -R5_SB_T -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 *5 Cb 0 {2,B} {4,S} -4 *2 Ct 0 {3,S} {5,T} -5 *3 Ct 0 {4,T} - -R5_SB_CO -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 *5 Cb 0 {2,B} {4,S} -4 *2 CO 0 {3,S} {5,D} -5 *3 Od 0 {4,D} - -R5_BS -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S} {5,{D,T}} -5 *3 {Cd,Ct,Od} 0 {4,{D,T}} - -R5_BS_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} - -R5_BS_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 Ct 0 {3,S} {5,T} -5 *3 Ct 0 {4,T} - -R5_BS_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 CO 0 {3,S} {5,D} -5 *3 Od 0 {4,D} - -//R6 groups - -R6 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} X {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} X {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *5 {R!H} X {3,{S,D,T,B}}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_RSR -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}} {3,S} -3 *6 {R!H} 0 {2,S} {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_SSR -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {R!H} 0 {2,S} {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_SSS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_SSS_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_SSS_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_SSS_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R6_SSM -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_SSM_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_SSM_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_SSM_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R6_DSR -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {R!H} 0 {2,S} {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_DSS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_DSS_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_DSS_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_DSS_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R6_DSM -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_DSM_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_DSM_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_DSM_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R6_TSR -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {R!H} 0 {2,S} {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_TSS -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_TSS_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_TSS_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_TSS_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R6_TSM -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_TSM_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_TSM_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_TSM_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R6_BSR -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {R!H} 0 {2,S} {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_BSS -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_BSS_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_BSS_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_BSS_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R6_BSM -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_BSM_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_BSM_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_BSM_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R6_SMS -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 *6 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_SMS_D -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 *6 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_SMS_T -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 *6 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_SMS_CO -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 *6 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R6_SBB -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 *6 Cbf 0 {2,B} {4,B} -4 *5 Cb 0 {3,B} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_SBB_D -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 *6 Cbf 0 {2,B} {4,B} -4 *5 Cb 0 {3,B} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_SBB_T -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 *6 Cbf 0 {2,B} {4,B} -4 *5 Cb 0 {3,B} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_SBB_CO -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 *6 Cbf 0 {2,B} {4,B} -4 *5 Cb 0 {3,B} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R6_BBS -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 *6 Cb 0 {2,B} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_BBS_D -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 *6 Cb 0 {2,B} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_BBS_T -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 *6 Cb 0 {2,B} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_BBS_CO -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 *6 Cb 0 {2,B} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -//R7 groups - -R7 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} X {1,{S,D,T,B}} {3,{S,D,T,B}} -3 *6 {R!H} X {2,{S,D,T,B}} {4,{S,D,T,B}} -4 *7 {R!H} X {3,{S,D,T,B}} {5,{S,D,T,B}} -5 *5 {R!H} X {4,{S,D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_RSSR -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,{S,D,T,B}} -5 *5 {R!H} 0 {4,{S,D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SSSR -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,{S,D,T,B}} -5 *5 {R!H} 0 {4,{S,D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SSSS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SSSS_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_SSSS_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_SSSS_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_SSSM -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SSSM_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_SSSM_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_SSSM_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_DSSR -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,{S,D,T,B}} -5 *5 {R!H} 0 {4,{S,D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_DSSS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_DSSS_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_DSSS_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_DSSS_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_DSSM -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_DSSM_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_DSSM_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_DSSM_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_TSSR -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,{S,D,T,B}} -5 *5 {R!H} 0 {4,{S,D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_TSSS -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_TSSS_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_TSSS_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_TSSS_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_TSSM -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_TSSM_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_TSSM_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_TSSM_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_BSSR -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,{S,D,T,B}} -5 *5 {R!H} 0 {4,{S,D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_BSSS -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_BSSS_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_BSSS_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_BSSS_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_BSSM -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_BSSM_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_BSSM_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_BSSM_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {R!H} 0 {2,S} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_RSMS -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *7 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SSMS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *7 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SSMS_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *7 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_SSMS_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *7 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_SSMS_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *7 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_DSMS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *7 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_DSMS_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *7 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_DSMS_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *7 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_DSMS_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *7 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_TSMS -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *7 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_TSMS_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *7 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_TSMS_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *7 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_TSMS_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *7 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_BSMS -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *7 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_BSMS_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *7 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_BSMS_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *7 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_BSMS_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *7 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_SMSR -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 *6 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 *7 {R!H} 0 {3,S} {5,{S,D,T,B}} -5 *5 {R!H} 0 {4,{S,D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SMSS -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 *6 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SMSS_D -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 *6 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_SMSS_T -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 *6 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_SMSS_CO -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 *6 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_SMSM -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 *6 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SMSM_D -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 *6 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_SMSM_T -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 *6 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_SMSM_CO -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 *6 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_BBSR -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 *6 Cb 0 {2,B} {4,S} -4 *7 {R!H} 0 {3,S} {5,{S,D,T,B}} -5 *5 {R!H} 0 {4,{S,D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_BBSS -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 *6 Cb 0 {2,B} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_BBSS_D -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 *6 Cb 0 {2,B} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_BBSS_T -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 *6 Cb 0 {2,B} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_BBSS_CO -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 *6 Cb 0 {2,B} {4,S} -4 *7 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_BBSM -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 *6 Cb 0 {2,B} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_BBSM_D -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 *6 Cb 0 {2,B} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_BBSM_T -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 *6 Cb 0 {2,B} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_BBSM_CO -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 *6 Cb 0 {2,B} {4,S} -4 *7 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_RSBB -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}} {3,S} -3 *6 Cb 0 {2,S} {4,B} -4 *7 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SSBB -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 Cb 0 {2,S} {4,B} -4 *7 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SSBB_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 Cb 0 {2,S} {4,B} -4 *7 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_SSBB_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 Cb 0 {2,S} {4,B} -4 *7 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_SSBB_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *6 Cb 0 {2,S} {4,B} -4 *7 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_DSBB -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 Cb 0 {2,S} {4,B} -4 *7 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_DSBB_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 Cb 0 {2,S} {4,B} -4 *7 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_DSBB_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 Cb 0 {2,S} {4,B} -4 *7 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_DSBB_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *6 Cb 0 {2,S} {4,B} -4 *7 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_TSBB -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 Cb 0 {2,S} {4,B} -4 *7 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_TSBB_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 Cb 0 {2,S} {4,B} -4 *7 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_TSBB_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 Cb 0 {2,S} {4,B} -4 *7 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_TSBB_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *6 Cb 0 {2,S} {4,B} -4 *7 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_BSBB -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 Cb 0 {2,S} {4,B} -4 *7 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_BSBB_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 Cb 0 {2,S} {4,B} -4 *7 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_BSBB_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 Cb 0 {2,S} {4,B} -4 *7 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_BSBB_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *6 Cb 0 {2,S} {4,B} -4 *7 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_SBBS -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 *6 Cbf 0 {2,B} {4,B} -4 *7 Cb 0 {3,B} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SBBS_D -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 *6 Cbf 0 {2,B} {4,B} -4 *7 Cb 0 {3,B} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_SBBS_T -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 *6 Cbf 0 {2,B} {4,B} -4 *7 Cb 0 {3,B} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_SBBS_CO -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 *6 Cbf 0 {2,B} {4,B} -4 *7 Cb 0 {3,B} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -multiplebond_intra -1 *2 {Cd,Ct,CO} 0 {2,{D,T}} -2 *3 {Cd,Ct,Od} 0 {1,{D,T}} - -doublebond_intra -1 *2 Cd 0 {2,D} -2 *3 Cd 0 {1,D} - -doublebond_intra_2H -1 *2 Cd 0 {2,D} -2 *3 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 H 0 {2,S} - -doublebond_intra_2H_pri -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} - -doublebond_intra_2H_secNd -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cs,O} 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} - -doublebond_intra_2H_secDe -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} - -doublebond_intra_HNd -1 *2 Cd 0 {2,D} -2 *3 Cd 0 {1,D} {4,S} {3,S} -3 H 0 {2,S} -4 {Cs,O} 0 {2,S} - -doublebond_intra_HNd_pri -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 {Cs,O} 0 {2,S} - -doublebond_intra_HNd_secNd -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cs,O} 0 {1,S} -4 H 0 {2,S} -5 {Cs,O} 0 {2,S} - -doublebond_intra_HNd_secDe -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {2,S} -5 {Cs,O} 0 {2,S} - -doublebond_intra_HDe -1 *2 Cd 0 {2,D} -2 *3 Cd 0 {1,D} {4,S} {3,S} -3 H 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_HDe_pri -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_HCd_pri -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 Cd 0 {2,S} - -doublebond_intra_HCt_pri -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 Ct 0 {2,S} - -doublebond_intra_HDe_secNd -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cs,O} 0 {1,S} -4 H 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_HDe_secDe -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_NdNd -1 *2 Cd 0 {2,D} -2 *3 Cd 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cs,O} 0 {2,S} - -doublebond_intra_NdNd_pri -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 {Cs,O} 0 {2,S} -5 {Cs,O} 0 {2,S} - -doublebond_intra_NdNd_secNd -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {2,S} -5 {Cs,O} 0 {2,S} - -doublebond_intra_NdNd_secDe -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {2,S} -5 {Cs,O} 0 {2,S} - -doublebond_intra_NdDe -1 *2 Cd 0 {2,D} -2 *3 Cd 0 {1,D} {4,S} {3,S} -3 {Cs,O} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_NdDe_pri -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 {Cs,O} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_NdCd_pri -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 {Cs,O} 0 {2,S} -5 Cd 0 {2,S} - -doublebond_intra_NdCt_pri -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 {Cs,O} 0 {2,S} -5 Ct 0 {2,S} - - -doublebond_intra_NdDe_secNd -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_NdDe_secDe -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_DeDe -1 *2 Cd 0 {2,D} -2 *3 Cd 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_DeDe_pri -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_DeDe_secNd -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_DeDe_secDe -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -triplebond_intra -1 *2 Ct 0 {2,T} -2 *3 Ct 0 {1,T} - -triplebond_intra_H -1 *2 Ct 0 {2,T} -2 *3 Ct 0 {1,T} {3,S} -3 H 0 {2,S} - -triplebond_intra_Nd -1 *2 Ct 0 {2,T} -2 *3 Ct 0 {1,T} {3,S} -3 {Cs,O} 0 {2,S} - -triplebond_intra_De -1 *2 Ct 0 {2,T} -2 *3 Ct 0 {1,T} {3,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} - -carbonylbond_intra -1 *2 CO 0 {2,D} -2 *3 Od 0 {1,D} - -carbonylbond_intra_H -1 *2 CO 0 {2,D} {3,S} -2 *3 Od 0 {1,D} -3 H 0 {1,S} - -carbonylbond_intra_Nd -1 *2 CO 0 {2,D} {3,S} -2 *3 Od 0 {1,D} -3 {Cs,O} 0 {1,S} - -carbonylbond_intra_De -1 *2 CO 0 {2,D} {3,S} -2 *3 Od 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -radadd_intra -1 *1 {R!H} 1 - -radadd_intra_cs -1 *1 Cs 1 - -radadd_intra_cs2H -1 *1 Cs 1 {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -radadd_intra_csHNd -1 *1 Cs 1 {2,S} {3,S} -2 H 0 {1,S} -3 {Cs,O} 0 {1,S} - -radadd_intra_csHDe -1 *1 Cs 1 {2,S} {3,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -radadd_intra_csHCt -1 *1 Cs 1 {2,S} {3,S} -2 H 0 {1,S} -3 Ct 0 {1,S} - -radadd_intra_csHCd -1 *1 Cs 1 {2,S} {3,S} -2 H 0 {1,S} -3 Cd 0 {1,S} - -radadd_intra_csNdNd -1 *1 Cs 1 {2,S} {3,S} -2 {Cs,O} 0 {1,S} -3 {Cs,O} 0 {1,S} - -radadd_intra_csNdDe -1 *1 Cs 1 {2,S} {3,S} -2 {Cs,O} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -radadd_intra_csNdCt -1 *1 Cs 1 {2,S} {3,S} -2 {Cs,O} 0 {1,S} -3 Ct 0 {1,S} - -radadd_intra_csNdCd -1 *1 Cs 1 {2,S} {3,S} -2 {Cs,O} 0 {1,S} -3 Cd 0 {1,S} - -radadd_intra_csDeDe -1 *1 Cs 1 {2,S} {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -radadd_intra_cdsingle -1 *1 Cd 1 {2,S} -2 R 0 {1,S} - -radadd_intra_cdsingleH -1 *1 Cd 1 {2,S} -2 H 0 {1,S} - -radadd_intra_cdsingleNd -1 *1 Cd 1 {2,S} -2 {Cs,O} 0 {1,S} - -radadd_intra_cdsingleDe -1 *1 Cd 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -radadd_intra_cddouble -1 *1 Cd 1 {2,D} -2 Cd 0 {1,D} - -radadd_intra_CO -1 *1 CO 1 {2,D} -2 O 0 {1,D} - -radadd_intra_O -1 *1 O 1 - -radadd_intra_Cb -1 *1 Cb 1 - -radadd_intra_Ct -1 *1 Ct 1 {2,T} -2 Ct 0 {1,T} - - - - diff --git a/output/RMG_database/kinetics_groups/Intra_R_Add_Exocyclic/forbiddenGroups.txt b/output/RMG_database/kinetics_groups/Intra_R_Add_Exocyclic/forbiddenGroups.txt deleted file mode 100644 index 58ef9aaa91..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_R_Add_Exocyclic/forbiddenGroups.txt +++ /dev/null @@ -1,7 +0,0 @@ -cdd2 -1 *2 Cdd 0 - -bond21 -1 *2 R!H 0 {2,{S,D}} -2 *1 R!H 1 {1,{S,D}} - diff --git a/output/RMG_database/kinetics_groups/Intra_R_Add_Exocyclic/rateLibrary.txt b/output/RMG_database/kinetics_groups/Intra_R_Add_Exocyclic/rateLibrary.txt deleted file mode 100644 index 05ff69e20f..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_R_Add_Exocyclic/rateLibrary.txt +++ /dev/null @@ -1,247 +0,0 @@ -// rate library for f27: intra radical addition to form exocyclic radical -// original from rate library.txt, CDW 10/20/2002 - -// JS, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// f27 intra_radical_addition_form_exocyclic_radical - -// Rn multiplebond_intra radadd_intra Temp. A n a E0 DA Dn Da DE0 Rank Comments -807. Rn multiplebond_intra radadd_intra 300-1500 1E+10 0 0 5 0 0 0 0 0 -808. R6_SSS_D doublebond_intra_2H_pri radadd_intra_cs2H 300-1500 2.51E+10 0 0 6.85 0 0 0 0 2 -809. R4_S_D doublebond_intra_2H_pri radadd_intra_csHDe 300-1500 1.00E+10 0 0 25.85 0 0 0 0 2 -810. R6_SMS_D doublebond_intra radadd_intra_cs 300-1500 1E+10 0 0 46.85 0 0 0 0 2 -811. R6_SSM_D doublebond_intra radadd_intra_cs 300-1500 1E+10 0 0 46.85 0 0 0 0 2 -812. R5_SD_D doublebond_intra_HNd_pri radadd_intra_csHNd 300-1500 1E+10 0 0 46.85 0 0 0 0 2 -813 R5_SS_D doublebond_intra_2H_pri radadd_intra_O 600-2000 2.724E+10 0.478 0 29.169 *3 0 0 2 3 MRH CBS-QB3 calculations with 1d h.r. corrections - -// A.G. Vandeputte -// Better estimates for a few exocyclic additions -// BMK/cbsb7, HO (1D HR for reference reaction), Group additivity, initial guess for TS and reactants, symm reaction - -900 R6_SSS_D doublebond_intra_2H_pri radadd_intra_cs2H 300-1500 5.00E+08 0.21 0 7.29 0 0 0 0 0 Aan Vandeputte small GA method -901 R6_SSS_D doublebond_intra_2H_pri radadd_intra_csHNd 300-1500 3.35E+09 0.21 0 7.51 0 0 0 0 0 Aan Vandeputte small GA method -902 R6_SSS_D doublebond_intra_2H_pri radadd_intra_csNdNd 300-1500 1.07E+09 0.21 0 6.49 0 0 0 0 0 Aan Vandeputte small GA method -903 R6_SSS_D doublebond_intra_2H_pri radadd_intra_csHCd 300-1500 1.26E+10 0.21 0 16.39 0 0 0 0 0 Aan Vandeputte small GA method -904 R6_SSS_D doublebond_intra_2H_pri radadd_intra_csNdCd 300-1500 8.46E+08 0.21 0 17.33 0 0 0 0 0 Aan Vandeputte small GA method -905 R6_SSS_D doublebond_intra_2H_pri radadd_intra_csHCt 300-1500 2.45E+09 0.21 0 13.00 0 0 0 0 0 Aan Vandeputte small GA method -906 R6_SSS_D doublebond_intra_2H_pri radadd_intra_csNdCt 300-1500 2.57E+09 0.21 0 14.02 0 0 0 0 0 Aan Vandeputte small GA method -907 R6_SSS_D doublebond_intra_2H_pri radadd_intra_cdsingleH 300-1500 9.68E+09 0.21 0 4.72 0 0 0 0 0 Aan Vandeputte small GA method -908 R6_SSS_D doublebond_intra_HNd_pri radadd_intra_cs2H 300-1500 5.26E+09 0.21 0 7.16 0 0 0 0 0 Aan Vandeputte small GA method -909 R6_SSS_D doublebond_intra_HNd_pri radadd_intra_csHNd 300-1500 3.52E+10 0.21 0 7.38 0 0 0 0 0 Aan Vandeputte small GA method -910 R6_SSS_D doublebond_intra_HNd_pri radadd_intra_csNdNd 300-1500 1.12E+10 0.21 0 6.36 0 0 0 0 0 Aan Vandeputte small GA method -911 R6_SSS_D doublebond_intra_HNd_pri radadd_intra_csHCd 300-1500 1.32E+11 0.21 0 16.26 0 0 0 0 0 Aan Vandeputte small GA method -912 R6_SSS_D doublebond_intra_HNd_pri radadd_intra_csNdCd 300-1500 8.89E+09 0.21 0 17.20 0 0 0 0 0 Aan Vandeputte small GA method -913 R6_SSS_D doublebond_intra_HNd_pri radadd_intra_csHCt 300-1500 2.57E+10 0.21 0 12.87 0 0 0 0 0 Aan Vandeputte small GA method -914 R6_SSS_D doublebond_intra_HNd_pri radadd_intra_csNdCt 300-1500 2.70E+10 0.21 0 13.89 0 0 0 0 0 Aan Vandeputte small GA method -915 R6_SSS_D doublebond_intra_HNd_pri radadd_intra_cdsingleH 300-1500 1.02E+11 0.21 0 4.59 0 0 0 0 0 Aan Vandeputte small GA method -916 R6_SSS_D doublebond_intra_NdNd_pri radadd_intra_cs2H 300-1500 8.81E+09 0.21 0 6.89 0 0 0 0 0 Aan Vandeputte small GA method -917 R6_SSS_D doublebond_intra_NdNd_pri radadd_intra_csHNd 300-1500 5.89E+10 0.21 0 7.11 0 0 0 0 0 Aan Vandeputte small GA method -918 R6_SSS_D doublebond_intra_NdNd_pri radadd_intra_csNdNd 300-1500 1.88E+10 0.21 0 6.08 0 0 0 0 0 Aan Vandeputte small GA method -919 R6_SSS_D doublebond_intra_NdNd_pri radadd_intra_csHCd 300-1500 2.22E+11 0.21 0 15.99 0 0 0 0 0 Aan Vandeputte small GA method -920 R6_SSS_D doublebond_intra_NdNd_pri radadd_intra_csNdCd 300-1500 1.49E+10 0.21 0 16.93 0 0 0 0 0 Aan Vandeputte small GA method -921 R6_SSS_D doublebond_intra_NdNd_pri radadd_intra_csHCt 300-1500 4.31E+10 0.21 0 12.60 0 0 0 0 0 Aan Vandeputte small GA method -922 R6_SSS_D doublebond_intra_NdNd_pri radadd_intra_csNdCt 300-1500 4.53E+10 0.21 0 13.61 0 0 0 0 0 Aan Vandeputte small GA method -923 R6_SSS_D doublebond_intra_NdNd_pri radadd_intra_cdsingleH 300-1500 1.70E+11 0.21 0 4.32 0 0 0 0 0 Aan Vandeputte small GA method -924 R6_SSS_D doublebond_intra_HCd_pri radadd_intra_cs2H 300-1500 8.62E+10 0.21 0 5.60 0 0 0 0 0 Aan Vandeputte small GA method -925 R6_SSS_D doublebond_intra_HCd_pri radadd_intra_csHNd 300-1500 5.76E+11 0.21 0 5.82 0 0 0 0 0 Aan Vandeputte small GA method -926 R6_SSS_D doublebond_intra_HCd_pri radadd_intra_csNdNd 300-1500 1.84E+11 0.21 0 4.80 0 0 0 0 0 Aan Vandeputte small GA method -927 R6_SSS_D doublebond_intra_HCd_pri radadd_intra_csHCd 300-1500 2.17E+12 0.21 0 14.70 0 0 0 0 0 Aan Vandeputte small GA method -928 R6_SSS_D doublebond_intra_HCd_pri radadd_intra_csNdCd 300-1500 1.46E+11 0.21 0 15.65 0 0 0 0 0 Aan Vandeputte small GA method -929 R6_SSS_D doublebond_intra_HCd_pri radadd_intra_csHCt 300-1500 4.21E+11 0.21 0 11.31 0 0 0 0 0 Aan Vandeputte small GA method -930 R6_SSS_D doublebond_intra_HCd_pri radadd_intra_csNdCt 300-1500 4.43E+11 0.21 0 12.33 0 0 0 0 0 Aan Vandeputte small GA method -931 R6_SSS_D doublebond_intra_HCd_pri radadd_intra_cdsingleH 300-1500 1.67E+12 0.21 0 3.04 0 0 0 0 0 Aan Vandeputte small GA method -932 R6_SSS_D doublebond_intra_NdCd_pri radadd_intra_cs2H 300-1500 3.65E+09 0.21 0 4.34 0 0 0 0 0 Aan Vandeputte small GA method -933 R6_SSS_D doublebond_intra_NdCd_pri radadd_intra_csHNd 300-1500 2.44E+10 0.21 0 4.56 0 0 0 0 0 Aan Vandeputte small GA method -934 R6_SSS_D doublebond_intra_NdCd_pri radadd_intra_csNdNd 300-1500 7.79E+09 0.21 0 3.53 0 0 0 0 0 Aan Vandeputte small GA method -935 R6_SSS_D doublebond_intra_NdCd_pri radadd_intra_csHCd 300-1500 9.19E+10 0.21 0 13.44 0 0 0 0 0 Aan Vandeputte small GA method -936 R6_SSS_D doublebond_intra_NdCd_pri radadd_intra_csNdCd 300-1500 6.17E+09 0.21 0 14.38 0 0 0 0 0 Aan Vandeputte small GA method -937 R6_SSS_D doublebond_intra_NdCd_pri radadd_intra_csHCt 300-1500 1.78E+10 0.21 0 10.05 0 0 0 0 0 Aan Vandeputte small GA method -938 R6_SSS_D doublebond_intra_NdCd_pri radadd_intra_csNdCt 300-1500 1.88E+10 0.21 0 11.06 0 0 0 0 0 Aan Vandeputte small GA method -939 R6_SSS_D doublebond_intra_NdCd_pri radadd_intra_cdsingleH 300-1500 7.06E+10 0.21 0 1.77 0 0 0 0 0 Aan Vandeputte small GA method -940 R6_SSS_D doublebond_intra_HCt_pri radadd_intra_cs2H 300-1500 6.60E+09 0.21 0 3.93 0 0 0 0 0 Aan Vandeputte small GA method -941 R6_SSS_D doublebond_intra_HCt_pri radadd_intra_csHNd 300-1500 4.41E+10 0.21 0 4.15 0 0 0 0 0 Aan Vandeputte small GA method -942 R6_SSS_D doublebond_intra_HCt_pri radadd_intra_csNdNd 300-1500 1.41E+10 0.21 0 3.12 0 0 0 0 0 Aan Vandeputte small GA method -943 R6_SSS_D doublebond_intra_HCt_pri radadd_intra_csHCd 300-1500 1.66E+11 0.21 0 13.03 0 0 0 0 0 Aan Vandeputte small GA method -944 R6_SSS_D doublebond_intra_HCt_pri radadd_intra_csNdCd 300-1500 1.12E+10 0.21 0 13.97 0 0 0 0 0 Aan Vandeputte small GA method -945 R6_SSS_D doublebond_intra_HCt_pri radadd_intra_csHCt 300-1500 3.22E+10 0.21 0 9.64 0 0 0 0 0 Aan Vandeputte small GA method -946 R6_SSS_D doublebond_intra_HCt_pri radadd_intra_csNdCt 300-1500 3.39E+10 0.21 0 10.65 0 0 0 0 0 Aan Vandeputte small GA method -947 R6_SSS_D doublebond_intra_HCt_pri radadd_intra_cdsingleH 300-1500 1.28E+11 0.21 0 1.36 0 0 0 0 0 Aan Vandeputte small GA method -948 R6_SSS_D doublebond_intra_NdCt_pri radadd_intra_cs2H 300-1500 3.84E+09 0.21 0 4.21 0 0 0 0 0 Aan Vandeputte small GA method -949 R6_SSS_D doublebond_intra_NdCt_pri radadd_intra_csHNd 300-1500 2.57E+10 0.21 0 4.43 0 0 0 0 0 Aan Vandeputte small GA method -950 R6_SSS_D doublebond_intra_NdCt_pri radadd_intra_csNdNd 300-1500 8.21E+09 0.21 0 3.40 0 0 0 0 0 Aan Vandeputte small GA method -951 R6_SSS_D doublebond_intra_NdCt_pri radadd_intra_csHCd 300-1500 9.68E+10 0.21 0 13.31 0 0 0 0 0 Aan Vandeputte small GA method -952 R6_SSS_D doublebond_intra_NdCt_pri radadd_intra_csNdCd 300-1500 6.50E+09 0.21 0 14.25 0 0 0 0 0 Aan Vandeputte small GA method -953 R6_SSS_D doublebond_intra_NdCt_pri radadd_intra_csHCt 300-1500 1.88E+10 0.21 0 9.92 0 0 0 0 0 Aan Vandeputte small GA method -954 R6_SSS_D doublebond_intra_NdCt_pri radadd_intra_csNdCt 300-1500 1.98E+10 0.21 0 10.94 0 0 0 0 0 Aan Vandeputte small GA method -955 R6_SSS_D doublebond_intra_NdCt_pri radadd_intra_cdsingleH 300-1500 7.43E+10 0.21 0 1.64 0 0 0 0 0 Aan Vandeputte small GA method -956 R4_S_D doublebond_intra_2H_pri radadd_intra_cs2H 300-1500 3.84E+10 0.21 0 8.78 0 0 0 0 0 Aan Vandeputte small GA method -957 R4_S_D doublebond_intra_2H_pri radadd_intra_csHNd 300-1500 2.57E+11 0.21 0 9.00 0 0 0 0 0 Aan Vandeputte small GA method -958 R4_S_D doublebond_intra_2H_pri radadd_intra_csNdNd 300-1500 8.21E+10 0.21 0 7.98 0 0 0 0 0 Aan Vandeputte small GA method -959 R4_S_D doublebond_intra_2H_pri radadd_intra_csHCd 300-1500 9.68E+11 0.21 0 17.88 0 0 0 0 0 Aan Vandeputte small GA method -960 R4_S_D doublebond_intra_2H_pri radadd_intra_csNdCd 300-1500 6.50E+10 0.21 0 18.82 0 0 0 0 0 Aan Vandeputte small GA method -961 R4_S_D doublebond_intra_2H_pri radadd_intra_csHCt 300-1500 1.88E+11 0.21 0 14.49 0 0 0 0 0 Aan Vandeputte small GA method -962 R4_S_D doublebond_intra_2H_pri radadd_intra_csNdCt 300-1500 1.98E+11 0.21 0 15.51 0 0 0 0 0 Aan Vandeputte small GA method -963 R4_S_D doublebond_intra_2H_pri radadd_intra_cdsingleH 300-1500 7.44E+11 0.21 0 6.21 0 0 0 0 0 Aan Vandeputte small GA method -964 R4_S_D doublebond_intra_HNd_pri radadd_intra_cs2H 300-1500 4.04E+11 0.21 0 8.65 0 0 0 0 0 Aan Vandeputte small GA method -965 R4_S_D doublebond_intra_HNd_pri radadd_intra_csHNd 300-1500 2.70E+12 0.21 0 8.87 0 0 0 0 0 Aan Vandeputte small GA method -966 R4_S_D doublebond_intra_HNd_pri radadd_intra_csNdNd 300-1500 8.62E+11 0.21 0 7.85 0 0 0 0 0 Aan Vandeputte small GA method -967 R4_S_D doublebond_intra_HNd_pri radadd_intra_csHCd 300-1500 1.02E+13 0.21 0 17.75 0 0 0 0 0 Aan Vandeputte small GA method -968 R4_S_D doublebond_intra_HNd_pri radadd_intra_csNdCd 300-1500 6.83E+11 0.21 0 18.69 0 0 0 0 0 Aan Vandeputte small GA method -969 R4_S_D doublebond_intra_HNd_pri radadd_intra_csHCt 300-1500 1.97E+12 0.21 0 14.36 0 0 0 0 0 Aan Vandeputte small GA method -970 R4_S_D doublebond_intra_HNd_pri radadd_intra_csNdCt 300-1500 2.08E+12 0.21 0 15.38 0 0 0 0 0 Aan Vandeputte small GA method -971 R4_S_D doublebond_intra_HNd_pri radadd_intra_cdsingleH 300-1500 7.81E+12 0.21 0 6.08 0 0 0 0 0 Aan Vandeputte small GA method -972 R4_S_D doublebond_intra_NdNd_pri radadd_intra_cs2H 300-1500 6.77E+11 0.21 0 8.38 0 0 0 0 0 Aan Vandeputte small GA method -973 R4_S_D doublebond_intra_NdNd_pri radadd_intra_csHNd 300-1500 4.52E+12 0.21 0 8.60 0 0 0 0 0 Aan Vandeputte small GA method -974 R4_S_D doublebond_intra_NdNd_pri radadd_intra_csNdNd 300-1500 1.45E+12 0.21 0 7.57 0 0 0 0 0 Aan Vandeputte small GA method -975 R4_S_D doublebond_intra_NdNd_pri radadd_intra_csHCd 300-1500 1.70E+13 0.21 0 17.48 0 0 0 0 0 Aan Vandeputte small GA method -976 R4_S_D doublebond_intra_NdNd_pri radadd_intra_csNdCd 300-1500 1.14E+12 0.21 0 18.42 0 0 0 0 0 Aan Vandeputte small GA method -977 R4_S_D doublebond_intra_NdNd_pri radadd_intra_csHCt 300-1500 3.31E+12 0.21 0 14.09 0 0 0 0 0 Aan Vandeputte small GA method -978 R4_S_D doublebond_intra_NdNd_pri radadd_intra_csNdCt 300-1500 3.48E+12 0.21 0 15.10 0 0 0 0 0 Aan Vandeputte small GA method -979 R4_S_D doublebond_intra_NdNd_pri radadd_intra_cdsingleH 300-1500 1.31E+13 0.21 0 5.81 0 0 0 0 0 Aan Vandeputte small GA method -980 R4_S_D doublebond_intra_HCd_pri radadd_intra_cs2H 300-1500 6.62E+12 0.21 0 7.09 0 0 0 0 0 Aan Vandeputte small GA method -981 R4_S_D doublebond_intra_HCd_pri radadd_intra_csHNd 300-1500 4.42E+13 0.21 0 7.31 0 0 0 0 0 Aan Vandeputte small GA method -982 R4_S_D doublebond_intra_HCd_pri radadd_intra_csNdNd 300-1500 1.41E+13 0.21 0 6.29 0 0 0 0 0 Aan Vandeputte small GA method -983 R4_S_D doublebond_intra_HCd_pri radadd_intra_csHCd 300-1500 1.67E+14 0.21 0 16.19 0 0 0 0 0 Aan Vandeputte small GA method -984 R4_S_D doublebond_intra_HCd_pri radadd_intra_csNdCd 300-1500 1.12E+13 0.21 0 17.14 0 0 0 0 0 Aan Vandeputte small GA method -985 R4_S_D doublebond_intra_HCd_pri radadd_intra_csHCt 300-1500 3.23E+13 0.21 0 12.80 0 0 0 0 0 Aan Vandeputte small GA method -986 R4_S_D doublebond_intra_HCd_pri radadd_intra_csNdCt 300-1500 3.40E+13 0.21 0 13.82 0 0 0 0 0 Aan Vandeputte small GA method -987 R4_S_D doublebond_intra_HCd_pri radadd_intra_cdsingleH 300-1500 1.28E+14 0.21 0 4.53 0 0 0 0 0 Aan Vandeputte small GA method -988 R4_S_D doublebond_intra_NdCd_pri radadd_intra_cs2H 300-1500 2.80E+11 0.21 0 5.83 0 0 0 0 0 Aan Vandeputte small GA method -989 R4_S_D doublebond_intra_NdCd_pri radadd_intra_csHNd 300-1500 1.87E+12 0.21 0 6.05 0 0 0 0 0 Aan Vandeputte small GA method -990 R4_S_D doublebond_intra_NdCd_pri radadd_intra_csNdNd 300-1500 5.98E+11 0.21 0 5.02 0 0 0 0 0 Aan Vandeputte small GA method -991 R4_S_D doublebond_intra_NdCd_pri radadd_intra_csHCd 300-1500 7.05E+12 0.21 0 14.93 0 0 0 0 0 Aan Vandeputte small GA method -992 R4_S_D doublebond_intra_NdCd_pri radadd_intra_csNdCd 300-1500 4.74E+11 0.21 0 15.87 0 0 0 0 0 Aan Vandeputte small GA method -993 R4_S_D doublebond_intra_NdCd_pri radadd_intra_csHCt 300-1500 1.37E+12 0.21 0 11.54 0 0 0 0 0 Aan Vandeputte small GA method -994 R4_S_D doublebond_intra_NdCd_pri radadd_intra_csNdCt 300-1500 1.44E+12 0.21 0 12.55 0 0 0 0 0 Aan Vandeputte small GA method -995 R4_S_D doublebond_intra_NdCd_pri radadd_intra_cdsingleH 300-1500 5.42E+12 0.21 0 3.26 0 0 0 0 0 Aan Vandeputte small GA method -996 R4_S_D doublebond_intra_HCt_pri radadd_intra_cs2H 300-1500 5.07E+11 0.21 0 5.42 0 0 0 0 0 Aan Vandeputte small GA method -997 R4_S_D doublebond_intra_HCt_pri radadd_intra_csHNd 300-1500 3.39E+12 0.21 0 5.64 0 0 0 0 0 Aan Vandeputte small GA method -998 R4_S_D doublebond_intra_HCt_pri radadd_intra_csNdNd 300-1500 1.08E+12 0.21 0 4.61 0 0 0 0 0 Aan Vandeputte small GA method -999 R4_S_D doublebond_intra_HCt_pri radadd_intra_csHCd 300-1500 1.28E+13 0.21 0 14.52 0 0 0 0 0 Aan Vandeputte small GA method -1000 R4_S_D doublebond_intra_HCt_pri radadd_intra_csNdCd 300-1500 8.57E+11 0.21 0 15.46 0 0 0 0 0 Aan Vandeputte small GA method -1001 R4_S_D doublebond_intra_HCt_pri radadd_intra_csHCt 300-1500 2.48E+12 0.21 0 11.13 0 0 0 0 0 Aan Vandeputte small GA method -1002 R4_S_D doublebond_intra_HCt_pri radadd_intra_csNdCt 300-1500 2.61E+12 0.21 0 12.14 0 0 0 0 0 Aan Vandeputte small GA method -1003 R4_S_D doublebond_intra_HCt_pri radadd_intra_cdsingleH 300-1500 9.80E+12 0.21 0 2.85 0 0 0 0 0 Aan Vandeputte small GA method -1004 R4_S_D doublebond_intra_NdCt_pri radadd_intra_cs2H 300-1500 2.95E+11 0.21 0 5.70 0 0 0 0 0 Aan Vandeputte small GA method -1005 R4_S_D doublebond_intra_NdCt_pri radadd_intra_csHNd 300-1500 1.97E+12 0.21 0 5.92 0 0 0 0 0 Aan Vandeputte small GA method -1006 R4_S_D doublebond_intra_NdCt_pri radadd_intra_csNdNd 300-1500 6.30E+11 0.21 0 4.89 0 0 0 0 0 Aan Vandeputte small GA method -1007 R4_S_D doublebond_intra_NdCt_pri radadd_intra_csHCd 300-1500 7.43E+12 0.21 0 14.80 0 0 0 0 0 Aan Vandeputte small GA method -1008 R4_S_D doublebond_intra_NdCt_pri radadd_intra_csNdCd 300-1500 4.99E+11 0.21 0 15.74 0 0 0 0 0 Aan Vandeputte small GA method -1009 R4_S_D doublebond_intra_NdCt_pri radadd_intra_csHCt 300-1500 1.44E+12 0.21 0 11.41 0 0 0 0 0 Aan Vandeputte small GA method -1010 R4_S_D doublebond_intra_NdCt_pri radadd_intra_csNdCt 300-1500 1.52E+12 0.21 0 12.43 0 0 0 0 0 Aan Vandeputte small GA method -1011 R4_S_D doublebond_intra_NdCt_pri radadd_intra_cdsingleH 300-1500 5.71E+12 0.21 0 3.13 0 0 0 0 0 Aan Vandeputte small GA method -1012 R5_SS_D doublebond_intra_2H_pri radadd_intra_cs2H 300-1500 1.52E+10 0.21 0 16.99 0 0 0 0 0 Aan Vandeputte small GA method -1013 R5_SS_D doublebond_intra_2H_pri radadd_intra_csHNd 300-1500 1.02E+11 0.21 0 17.21 0 0 0 0 0 Aan Vandeputte small GA method -1014 R5_SS_D doublebond_intra_2H_pri radadd_intra_csNdNd 300-1500 3.25E+10 0.21 0 16.19 0 0 0 0 0 Aan Vandeputte small GA method -1015 R5_SS_D doublebond_intra_2H_pri radadd_intra_csHCd 300-1500 3.83E+11 0.21 0 26.09 0 0 0 0 0 Aan Vandeputte small GA method -1016 R5_SS_D doublebond_intra_2H_pri radadd_intra_csNdCd 300-1500 2.57E+10 0.21 0 27.03 0 0 0 0 0 Aan Vandeputte small GA method -1017 R5_SS_D doublebond_intra_2H_pri radadd_intra_csHCt 300-1500 7.43E+10 0.21 0 22.70 0 0 0 0 0 Aan Vandeputte small GA method -1018 R5_SS_D doublebond_intra_2H_pri radadd_intra_csNdCt 300-1500 7.82E+10 0.21 0 23.72 0 0 0 0 0 Aan Vandeputte small GA method -1019 R5_SS_D doublebond_intra_2H_pri radadd_intra_cdsingleH 300-1500 2.94E+11 0.21 0 14.42 0 0 0 0 0 Aan Vandeputte small GA method -1020 R5_SS_D doublebond_intra_HNd_pri radadd_intra_cs2H 300-1500 1.60E+11 0.21 0 16.86 0 0 0 0 0 Aan Vandeputte small GA method -1021 R5_SS_D doublebond_intra_HNd_pri radadd_intra_csHNd 300-1500 1.07E+12 0.21 0 17.08 0 0 0 0 0 Aan Vandeputte small GA method -1022 R5_SS_D doublebond_intra_HNd_pri radadd_intra_csNdNd 300-1500 3.41E+11 0.21 0 16.06 0 0 0 0 0 Aan Vandeputte small GA method -1023 R5_SS_D doublebond_intra_HNd_pri radadd_intra_csHCd 300-1500 4.02E+12 0.21 0 25.96 0 0 0 0 0 Aan Vandeputte small GA method -1024 R5_SS_D doublebond_intra_HNd_pri radadd_intra_csNdCd 300-1500 2.70E+11 0.21 0 26.90 0 0 0 0 0 Aan Vandeputte small GA method -1025 R5_SS_D doublebond_intra_HNd_pri radadd_intra_csHCt 300-1500 7.81E+11 0.21 0 22.57 0 0 0 0 0 Aan Vandeputte small GA method -1026 R5_SS_D doublebond_intra_HNd_pri radadd_intra_csNdCt 300-1500 8.22E+11 0.21 0 23.59 0 0 0 0 0 Aan Vandeputte small GA method -1027 R5_SS_D doublebond_intra_HNd_pri radadd_intra_cdsingleH 300-1500 3.09E+12 0.21 0 14.29 0 0 0 0 0 Aan Vandeputte small GA method -1028 R5_SS_D doublebond_intra_NdNd_pri radadd_intra_cs2H 300-1500 2.68E+11 0.21 0 16.59 0 0 0 0 0 Aan Vandeputte small GA method -1029 R5_SS_D doublebond_intra_NdNd_pri radadd_intra_csHNd 300-1500 1.79E+12 0.21 0 16.81 0 0 0 0 0 Aan Vandeputte small GA method -1030 R5_SS_D doublebond_intra_NdNd_pri radadd_intra_csNdNd 300-1500 5.72E+11 0.21 0 15.78 0 0 0 0 0 Aan Vandeputte small GA method -1031 R5_SS_D doublebond_intra_NdNd_pri radadd_intra_csHCd 300-1500 6.75E+12 0.21 0 25.69 0 0 0 0 0 Aan Vandeputte small GA method -1032 R5_SS_D doublebond_intra_NdNd_pri radadd_intra_csNdCd 300-1500 4.53E+11 0.21 0 26.63 0 0 0 0 0 Aan Vandeputte small GA method -1033 R5_SS_D doublebond_intra_NdNd_pri radadd_intra_csHCt 300-1500 1.31E+12 0.21 0 22.30 0 0 0 0 0 Aan Vandeputte small GA method -1034 R5_SS_D doublebond_intra_NdNd_pri radadd_intra_csNdCt 300-1500 1.38E+12 0.21 0 23.31 0 0 0 0 0 Aan Vandeputte small GA method -1035 R5_SS_D doublebond_intra_NdNd_pri radadd_intra_cdsingleH 300-1500 5.18E+12 0.21 0 14.02 0 0 0 0 0 Aan Vandeputte small GA method -1036 R5_SS_D doublebond_intra_HCd_pri radadd_intra_cs2H 300-1500 2.62E+12 0.21 0 15.30 0 0 0 0 0 Aan Vandeputte small GA method -1037 R5_SS_D doublebond_intra_HCd_pri radadd_intra_csHNd 300-1500 1.75E+13 0.21 0 15.52 0 0 0 0 0 Aan Vandeputte small GA method -1038 R5_SS_D doublebond_intra_HCd_pri radadd_intra_csNdNd 300-1500 5.59E+12 0.21 0 14.50 0 0 0 0 0 Aan Vandeputte small GA method -1039 R5_SS_D doublebond_intra_HCd_pri radadd_intra_csHCd 300-1500 6.60E+13 0.21 0 24.40 0 0 0 0 0 Aan Vandeputte small GA method -1040 R5_SS_D doublebond_intra_HCd_pri radadd_intra_csNdCd 300-1500 4.43E+12 0.21 0 25.34 0 0 0 0 0 Aan Vandeputte small GA method -1041 R5_SS_D doublebond_intra_HCd_pri radadd_intra_csHCt 300-1500 1.28E+13 0.21 0 21.01 0 0 0 0 0 Aan Vandeputte small GA method -1042 R5_SS_D doublebond_intra_HCd_pri radadd_intra_csNdCt 300-1500 1.35E+13 0.21 0 22.03 0 0 0 0 0 Aan Vandeputte small GA method -1043 R5_SS_D doublebond_intra_HCd_pri radadd_intra_cdsingleH 300-1500 5.07E+13 0.21 0 12.73 0 0 0 0 0 Aan Vandeputte small GA method -1044 R5_SS_D doublebond_intra_NdCd_pri radadd_intra_cs2H 300-1500 1.11E+11 0.21 0 14.04 0 0 0 0 0 Aan Vandeputte small GA method -1045 R5_SS_D doublebond_intra_NdCd_pri radadd_intra_csHNd 300-1500 7.41E+11 0.21 0 14.26 0 0 0 0 0 Aan Vandeputte small GA method -1046 R5_SS_D doublebond_intra_NdCd_pri radadd_intra_csNdNd 300-1500 2.37E+11 0.21 0 13.23 0 0 0 0 0 Aan Vandeputte small GA method -1047 R5_SS_D doublebond_intra_NdCd_pri radadd_intra_csHCd 300-1500 2.79E+12 0.21 0 23.14 0 0 0 0 0 Aan Vandeputte small GA method -1048 R5_SS_D doublebond_intra_NdCd_pri radadd_intra_csNdCd 300-1500 1.87E+11 0.21 0 24.08 0 0 0 0 0 Aan Vandeputte small GA method -1049 R5_SS_D doublebond_intra_NdCd_pri radadd_intra_csHCt 300-1500 5.42E+11 0.21 0 19.75 0 0 0 0 0 Aan Vandeputte small GA method -1050 R5_SS_D doublebond_intra_NdCd_pri radadd_intra_csNdCt 300-1500 5.70E+11 0.21 0 20.76 0 0 0 0 0 Aan Vandeputte small GA method -1051 R5_SS_D doublebond_intra_NdCd_pri radadd_intra_cdsingleH 300-1500 2.14E+12 0.21 0 11.47 0 0 0 0 0 Aan Vandeputte small GA method -1052 R5_SS_D doublebond_intra_HCt_pri radadd_intra_cs2H 300-1500 2.01E+11 0.21 0 13.63 0 0 0 0 0 Aan Vandeputte small GA method -1053 R5_SS_D doublebond_intra_HCt_pri radadd_intra_csHNd 300-1500 1.34E+12 0.21 0 13.85 0 0 0 0 0 Aan Vandeputte small GA method -1054 R5_SS_D doublebond_intra_HCt_pri radadd_intra_csNdNd 300-1500 4.28E+11 0.21 0 12.82 0 0 0 0 0 Aan Vandeputte small GA method -1055 R5_SS_D doublebond_intra_HCt_pri radadd_intra_csHCd 300-1500 5.05E+12 0.21 0 22.73 0 0 0 0 0 Aan Vandeputte small GA method -1056 R5_SS_D doublebond_intra_HCt_pri radadd_intra_csNdCd 300-1500 3.39E+11 0.21 0 23.67 0 0 0 0 0 Aan Vandeputte small GA method -1057 R5_SS_D doublebond_intra_HCt_pri radadd_intra_csHCt 300-1500 9.80E+11 0.21 0 19.34 0 0 0 0 0 Aan Vandeputte small GA method -1058 R5_SS_D doublebond_intra_HCt_pri radadd_intra_csNdCt 300-1500 1.03E+12 0.21 0 20.35 0 0 0 0 0 Aan Vandeputte small GA method -1059 R5_SS_D doublebond_intra_HCt_pri radadd_intra_cdsingleH 300-1500 3.88E+12 0.21 0 11.06 0 0 0 0 0 Aan Vandeputte small GA method -1060 R5_SS_D doublebond_intra_NdCt_pri radadd_intra_cs2H 300-1500 1.17E+11 0.21 0 13.91 0 0 0 0 0 Aan Vandeputte small GA method -1061 R5_SS_D doublebond_intra_NdCt_pri radadd_intra_csHNd 300-1500 7.81E+11 0.21 0 14.13 0 0 0 0 0 Aan Vandeputte small GA method -1062 R5_SS_D doublebond_intra_NdCt_pri radadd_intra_csNdNd 300-1500 2.49E+11 0.21 0 13.10 0 0 0 0 0 Aan Vandeputte small GA method -1063 R5_SS_D doublebond_intra_NdCt_pri radadd_intra_csHCd 300-1500 2.94E+12 0.21 0 23.01 0 0 0 0 0 Aan Vandeputte small GA method -1064 R5_SS_D doublebond_intra_NdCt_pri radadd_intra_csNdCd 300-1500 1.98E+11 0.21 0 23.95 0 0 0 0 0 Aan Vandeputte small GA method -1065 R5_SS_D doublebond_intra_NdCt_pri radadd_intra_csHCt 300-1500 5.71E+11 0.21 0 19.62 0 0 0 0 0 Aan Vandeputte small GA method -1066 R5_SS_D doublebond_intra_NdCt_pri radadd_intra_csNdCt 300-1500 6.01E+11 0.21 0 20.64 0 0 0 0 0 Aan Vandeputte small GA method -1067 R5_SS_D doublebond_intra_NdCt_pri radadd_intra_cdsingleH 300-1500 2.26E+12 0.21 0 11.34 0 0 0 0 0 Aan Vandeputte small GA method -1068 R7_SSSS_D doublebond_intra_2H_pri radadd_intra_cs2H 300-1500 1.71E+09 0.21 0 8.75 0 0 0 0 0 Aan Vandeputte small GA method -1069 R7_SSSS_D doublebond_intra_2H_pri radadd_intra_csHNd 300-1500 1.14E+10 0.21 0 8.97 0 0 0 0 0 Aan Vandeputte small GA method -1070 R7_SSSS_D doublebond_intra_2H_pri radadd_intra_csNdNd 300-1500 3.65E+09 0.21 0 7.95 0 0 0 0 0 Aan Vandeputte small GA method -1071 R7_SSSS_D doublebond_intra_2H_pri radadd_intra_csHCd 300-1500 4.31E+10 0.21 0 17.85 0 0 0 0 0 Aan Vandeputte small GA method -1072 R7_SSSS_D doublebond_intra_2H_pri radadd_intra_csNdCd 300-1500 2.89E+09 0.21 0 18.79 0 0 0 0 0 Aan Vandeputte small GA method -1073 R7_SSSS_D doublebond_intra_2H_pri radadd_intra_csHCt 300-1500 8.36E+09 0.21 0 14.46 0 0 0 0 0 Aan Vandeputte small GA method -1074 R7_SSSS_D doublebond_intra_2H_pri radadd_intra_csNdCt 300-1500 8.80E+09 0.21 0 15.48 0 0 0 0 0 Aan Vandeputte small GA method -1075 R7_SSSS_D doublebond_intra_2H_pri radadd_intra_cdsingleH 300-1500 3.31E+10 0.21 0 6.18 0 0 0 0 0 Aan Vandeputte small GA method -1076 R7_SSSS_D doublebond_intra_HNd_pri radadd_intra_cs2H 300-1500 1.80E+10 0.21 0 8.62 0 0 0 0 0 Aan Vandeputte small GA method -1077 R7_SSSS_D doublebond_intra_HNd_pri radadd_intra_csHNd 300-1500 1.20E+11 0.21 0 8.84 0 0 0 0 0 Aan Vandeputte small GA method -1078 R7_SSSS_D doublebond_intra_HNd_pri radadd_intra_csNdNd 300-1500 3.84E+10 0.21 0 7.82 0 0 0 0 0 Aan Vandeputte small GA method -1079 R7_SSSS_D doublebond_intra_HNd_pri radadd_intra_csHCd 300-1500 4.53E+11 0.21 0 17.72 0 0 0 0 0 Aan Vandeputte small GA method -1080 R7_SSSS_D doublebond_intra_HNd_pri radadd_intra_csNdCd 300-1500 3.04E+10 0.21 0 18.66 0 0 0 0 0 Aan Vandeputte small GA method -1081 R7_SSSS_D doublebond_intra_HNd_pri radadd_intra_csHCt 300-1500 8.78E+10 0.21 0 14.33 0 0 0 0 0 Aan Vandeputte small GA method -1082 R7_SSSS_D doublebond_intra_HNd_pri radadd_intra_csNdCt 300-1500 9.24E+10 0.21 0 15.35 0 0 0 0 0 Aan Vandeputte small GA method -1083 R7_SSSS_D doublebond_intra_HNd_pri radadd_intra_cdsingleH 300-1500 3.48E+11 0.21 0 6.05 0 0 0 0 0 Aan Vandeputte small GA method -1084 R7_SSSS_D doublebond_intra_NdNd_pri radadd_intra_cs2H 300-1500 3.01E+10 0.21 0 8.35 0 0 0 0 0 Aan Vandeputte small GA method -1085 R7_SSSS_D doublebond_intra_NdNd_pri radadd_intra_csHNd 300-1500 2.01E+11 0.21 0 8.57 0 0 0 0 0 Aan Vandeputte small GA method -1086 R7_SSSS_D doublebond_intra_NdNd_pri radadd_intra_csNdNd 300-1500 6.43E+10 0.21 0 7.54 0 0 0 0 0 Aan Vandeputte small GA method -1087 R7_SSSS_D doublebond_intra_NdNd_pri radadd_intra_csHCd 300-1500 7.59E+11 0.21 0 17.45 0 0 0 0 0 Aan Vandeputte small GA method -1088 R7_SSSS_D doublebond_intra_NdNd_pri radadd_intra_csNdCd 300-1500 5.09E+10 0.21 0 18.39 0 0 0 0 0 Aan Vandeputte small GA method -1089 R7_SSSS_D doublebond_intra_NdNd_pri radadd_intra_csHCt 300-1500 1.47E+11 0.21 0 14.06 0 0 0 0 0 Aan Vandeputte small GA method -1090 R7_SSSS_D doublebond_intra_NdNd_pri radadd_intra_csNdCt 300-1500 1.55E+11 0.21 0 15.07 0 0 0 0 0 Aan Vandeputte small GA method -1091 R7_SSSS_D doublebond_intra_NdNd_pri radadd_intra_cdsingleH 300-1500 5.83E+11 0.21 0 5.78 0 0 0 0 0 Aan Vandeputte small GA method -1092 R7_SSSS_D doublebond_intra_HCd_pri radadd_intra_cs2H 300-1500 2.95E+11 0.21 0 7.06 0 0 0 0 0 Aan Vandeputte small GA method -1093 R7_SSSS_D doublebond_intra_HCd_pri radadd_intra_csHNd 300-1500 1.97E+12 0.21 0 7.28 0 0 0 0 0 Aan Vandeputte small GA method -1094 R7_SSSS_D doublebond_intra_HCd_pri radadd_intra_csNdNd 300-1500 6.29E+11 0.21 0 6.26 0 0 0 0 0 Aan Vandeputte small GA method -1095 R7_SSSS_D doublebond_intra_HCd_pri radadd_intra_csHCd 300-1500 7.42E+12 0.21 0 16.16 0 0 0 0 0 Aan Vandeputte small GA method -1096 R7_SSSS_D doublebond_intra_HCd_pri radadd_intra_csNdCd 300-1500 4.98E+11 0.21 0 17.10 0 0 0 0 0 Aan Vandeputte small GA method -1097 R7_SSSS_D doublebond_intra_HCd_pri radadd_intra_csHCt 300-1500 1.44E+12 0.21 0 12.77 0 0 0 0 0 Aan Vandeputte small GA method -1098 R7_SSSS_D doublebond_intra_HCd_pri radadd_intra_csNdCt 300-1500 1.51E+12 0.21 0 13.79 0 0 0 0 0 Aan Vandeputte small GA method -1099 R7_SSSS_D doublebond_intra_HCd_pri radadd_intra_cdsingleH 300-1500 5.70E+12 0.21 0 4.50 0 0 0 0 0 Aan Vandeputte small GA method -1100 R7_SSSS_D doublebond_intra_NdCd_pri radadd_intra_cs2H 300-1500 1.25E+10 0.21 0 5.80 0 0 0 0 0 Aan Vandeputte small GA method -1101 R7_SSSS_D doublebond_intra_NdCd_pri radadd_intra_csHNd 300-1500 8.34E+10 0.21 0 6.02 0 0 0 0 0 Aan Vandeputte small GA method -1102 R7_SSSS_D doublebond_intra_NdCd_pri radadd_intra_csNdNd 300-1500 2.66E+10 0.21 0 4.99 0 0 0 0 0 Aan Vandeputte small GA method -1103 R7_SSSS_D doublebond_intra_NdCd_pri radadd_intra_csHCd 300-1500 3.14E+11 0.21 0 14.90 0 0 0 0 0 Aan Vandeputte small GA method -1104 R7_SSSS_D doublebond_intra_NdCd_pri radadd_intra_csNdCd 300-1500 2.11E+10 0.21 0 15.84 0 0 0 0 0 Aan Vandeputte small GA method -1105 R7_SSSS_D doublebond_intra_NdCd_pri radadd_intra_csHCt 300-1500 6.09E+10 0.21 0 11.51 0 0 0 0 0 Aan Vandeputte small GA method -1106 R7_SSSS_D doublebond_intra_NdCd_pri radadd_intra_csNdCt 300-1500 6.41E+10 0.21 0 12.52 0 0 0 0 0 Aan Vandeputte small GA method -1107 R7_SSSS_D doublebond_intra_NdCd_pri radadd_intra_cdsingleH 300-1500 2.41E+11 0.21 0 3.23 0 0 0 0 0 Aan Vandeputte small GA method -1108 R7_SSSS_D doublebond_intra_HCt_pri radadd_intra_cs2H 300-1500 2.25E+10 0.21 0 5.39 0 0 0 0 0 Aan Vandeputte small GA method -1109 R7_SSSS_D doublebond_intra_HCt_pri radadd_intra_csHNd 300-1500 1.51E+11 0.21 0 5.61 0 0 0 0 0 Aan Vandeputte small GA method -1110 R7_SSSS_D doublebond_intra_HCt_pri radadd_intra_csNdNd 300-1500 4.82E+10 0.21 0 4.58 0 0 0 0 0 Aan Vandeputte small GA method -1111 R7_SSSS_D doublebond_intra_HCt_pri radadd_intra_csHCd 300-1500 5.68E+11 0.21 0 14.49 0 0 0 0 0 Aan Vandeputte small GA method -1112 R7_SSSS_D doublebond_intra_HCt_pri radadd_intra_csNdCd 300-1500 3.81E+10 0.21 0 15.43 0 0 0 0 0 Aan Vandeputte small GA method -1113 R7_SSSS_D doublebond_intra_HCt_pri radadd_intra_csHCt 300-1500 1.10E+11 0.21 0 11.10 0 0 0 0 0 Aan Vandeputte small GA method -1114 R7_SSSS_D doublebond_intra_HCt_pri radadd_intra_csNdCt 300-1500 1.16E+11 0.21 0 12.11 0 0 0 0 0 Aan Vandeputte small GA method -1115 R7_SSSS_D doublebond_intra_HCt_pri radadd_intra_cdsingleH 300-1500 4.36E+11 0.21 0 2.82 0 0 0 0 0 Aan Vandeputte small GA method -1116 R7_SSSS_D doublebond_intra_NdCt_pri radadd_intra_cs2H 300-1500 1.31E+10 0.21 0 5.67 0 0 0 0 0 Aan Vandeputte small GA method -1117 R7_SSSS_D doublebond_intra_NdCt_pri radadd_intra_csHNd 300-1500 8.78E+10 0.21 0 5.89 0 0 0 0 0 Aan Vandeputte small GA method -1118 R7_SSSS_D doublebond_intra_NdCt_pri radadd_intra_csNdNd 300-1500 2.81E+10 0.21 0 4.86 0 0 0 0 0 Aan Vandeputte small GA method -1119 R7_SSSS_D doublebond_intra_NdCt_pri radadd_intra_csHCd 300-1500 3.31E+11 0.21 0 14.77 0 0 0 0 0 Aan Vandeputte small GA method -1120 R7_SSSS_D doublebond_intra_NdCt_pri radadd_intra_csNdCd 300-1500 2.22E+10 0.21 0 15.71 0 0 0 0 0 Aan Vandeputte small GA method -1121 R7_SSSS_D doublebond_intra_NdCt_pri radadd_intra_csHCt 300-1500 6.42E+10 0.21 0 11.38 0 0 0 0 0 Aan Vandeputte small GA method -1122 R7_SSSS_D doublebond_intra_NdCt_pri radadd_intra_csNdCt 300-1500 6.75E+10 0.21 0 12.40 0 0 0 0 0 Aan Vandeputte small GA method -1123 R7_SSSS_D doublebond_intra_NdCt_pri radadd_intra_cdsingleH 300-1500 2.54E+11 0.21 0 3.10 0 0 0 0 0 Aan Vandeputte small GA method - - diff --git a/output/RMG_database/kinetics_groups/Intra_R_Add_Exocyclic/reactionAdjList.txt b/output/RMG_database/kinetics_groups/Intra_R_Add_Exocyclic/reactionAdjList.txt deleted file mode 100644 index 405d313981..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_R_Add_Exocyclic/reactionAdjList.txt +++ /dev/null @@ -1,22 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 31, 2003 // -// // -////////////////////////////////////////////////////// - - -// f27 Intra radical addition to a double/triple bond to form an exo-cyclic radical - -Rn -> RnCycle - -forward -reverse(f28): Ring_Open_Exo_Cycli_Radical - -Actions 1 -(1) CHANGE_BOND {*2,-1,*3} -(2) FORM_BOND {*1,S,*2} -(2) LOSE_RADICAL {*1,1} -(3) GAIN_RADICAL {*3,1} - diff --git a/output/RMG_database/kinetics_groups/Intra_R_Add_Exocyclic/tree.txt b/output/RMG_database/kinetics_groups/Intra_R_Add_Exocyclic/tree.txt deleted file mode 100644 index 1661027678..0000000000 --- a/output/RMG_database/kinetics_groups/Intra_R_Add_Exocyclic/tree.txt +++ /dev/null @@ -1,256 +0,0 @@ -// intramolecular addition to form an exo radical -//R(.)()nR'<->R" ---->R()nR'<->(-1)R"(.) - -// f27_intramolecular addition to form exocyclic radical -L1: Rn - L2: R4 - L3: R4_S - L4: R4_S_D - L4: R4_S_T - L4: R4_S_CO - L3: R4_D - L4: R4_D_D - L4: R4_D_T - L4: R4_D_CO - L3: R4_T - L4: R4_T_D - L4: R4_T_T - L4: R4_T_CO - L3: R4_B - L4: R4_B_D - L4: R4_B_T - L4: R4_B_CO - L2: R5 - L3: R5_SS - L4: R5_SS_D - L4: R5_SS_T - L4: R5_SS_CO - L3: R5_SD - L4: R5_SD_D - L4: R5_SD_T - L4: R5_SD_CO - L3: R5_DS - L4: R5_DS_D - L4: R5_DS_T - L4: R5_DS_CO - L3: R5_ST - L4: R5_ST_D - L4: R5_ST_T - L4: R5_ST_CO - L3: R5_TS - L4: R5_TS_D - L4: R5_TS_T - L4: R5_TS_CO - L3: R5_SB - L4: R5_SB_D - L4: R5_SB_T - L4: R5_SB_CO - L3: R5_BS - L4: R5_BS_D - L4: R5_BS_T - L4: R5_BS_CO - L2: R6 - L3: R6_RSR - L4: R6_SSR - L5: R6_SSS - L6: R6_SSS_D - L6: R6_SSS_T - L6: R6_SSS_CO - L5: R6_SSM - L6: R6_SSM_D - L6: R6_SSM_T - L6: R6_SSM_CO - L4: R6_DSR - L5: R6_DSS - L6: R6_DSS_D - L6: R6_DSS_T - L6: R6_DSS_CO - L5: R6_DSM - L6: R6_DSM_D - L6: R6_DSM_T - L6: R6_DSM_CO - L4: R6_TSR - L5: R6_TSS - L6: R6_TSS_D - L6: R6_TSS_T - L6: R6_TSS_CO - L5: R6_TSM - L6: R6_TSM_D - L6: R6_TSM_T - L6: R6_TSM_CO - L4: R6_BSR - L5: R6_BSS - L6: R6_BSS_D - L6: R6_BSS_T - L6: R6_BSS_CO - L5: R6_BSM - L6: R6_BSM_D - L6: R6_BSM_T - L6: R6_BSM_CO - L3: R6_SMS - L4: R6_SMS_D - L4: R6_SMS_T - L4: R6_SMS_CO - L3: R6_SBB - L4: R6_SBB_D - L4: R6_SBB_T - L4: R6_SBB_CO - L3: R6_BBS - L4: R6_BBS_D - L4: R6_BBS_T - L4: R6_BBS_CO - L2: R7 - L3: R7_RSSR - L4: R7_SSSR - L5: R7_SSSS - L6: R7_SSSS_D - L6: R7_SSSS_T - L6: R7_SSSS_CO - L5: R7_SSSM - L6: R7_SSSM_D - L6: R7_SSSM_T - L6: R7_SSSM_CO - L4: R7_DSSR - L5: R7_DSSS - L6: R7_DSSS_D - L6: R7_DSSS_T - L6: R7_DSSS_CO - L5: R7_DSSM - L6: R7_DSSM_D - L6: R7_DSSM_T - L6: R7_DSSM_CO - L4: R7_TSSR - L5: R7_TSSS - L6: R7_TSSS_D - L6: R7_TSSS_T - L6: R7_TSSS_CO - L5: R7_TSSM - L6: R7_TSSM_D - L6: R7_TSSM_T - L6: R7_TSSM_CO - L4: R7_BSSR - L5: R7_BSSS - L6: R7_BSSS_D - L6: R7_BSSS_T - L6: R7_BSSS_CO - L5: R7_BSSM - L6: R7_BSSM_D - L6: R7_BSSM_T - L6: R7_BSSM_CO - L3: R7_RSMS - L4: R7_SSMS - L5: R7_SSMS_D - L5: R7_SSMS_T - L5: R7_SSMS_CO - L4: R7_DSMS - L5: R7_DSMS_D - L5: R7_DSMS_T - L5: R7_DSMS_CO - L4: R7_TSMS - L5: R7_TSMS_D - L5: R7_TSMS_T - L5: R7_TSMS_CO - L4: R7_BSMS - L5: R7_BSMS_D - L5: R7_BSMS_T - L5: R7_BSMS_CO - L3: R7_SMSR - L4: R7_SMSS - L5: R7_SMSS_D - L5: R7_SMSS_T - L5: R7_SMSS_CO - L4: R7_SMSM - L5: R7_SMSM_D - L5: R7_SMSM_T - L5: R7_SMSM_CO - L3: R7_BBSR - L4: R7_BBSS - L5: R7_BBSS_D - L5: R7_BBSS_T - L5: R7_BBSS_CO - L4: R7_BBSM - L5: R7_BBSM_D - L5: R7_BBSM_T - L5: R7_BBSM_CO - L3: R7_RSBB - L4: R7_SSBB - L5: R7_SSBB_D - L5: R7_SSBB_T - L5: R7_SSBB_CO - L4: R7_DSBB - L5: R7_DSBB_D - L5: R7_DSBB_T - L5: R7_DSBB_CO - L4: R7_TSBB - L5: R7_TSBB_D - L5: R7_TSBB_T - L5: R7_TSBB_CO - L4: R7_BSBB - L5: R7_BSBB_D - L5: R7_BSBB_T - L5: R7_BSBB_CO - L3: R7_SBBS - L4: R7_SBBS_D - L4: R7_SBBS_T - L4: R7_SBBS_CO - -L1: multiplebond_intra - L2: doublebond_intra - L3: doublebond_intra_2H - L4: doublebond_intra_2H_pri - L4: doublebond_intra_2H_secNd - L4: doublebond_intra_2H_secDe - L3: doublebond_intra_HNd - L4: doublebond_intra_HNd_pri - L4: doublebond_intra_HNd_secNd - L4: doublebond_intra_HNd_secDe - L3: doublebond_intra_HDe - L4: doublebond_intra_HDe_pri - L5: doublebond_intra_HCd_pri - L5: doublebond_intra_HCt_pri - L4: doublebond_intra_HDe_secNd - L4: doublebond_intra_HDe_secDe - L3: doublebond_intra_NdNd - L4: doublebond_intra_NdNd_pri - L4: doublebond_intra_NdNd_secNd - L4: doublebond_intra_NdNd_secDe - L3: doublebond_intra_NdDe - L4: doublebond_intra_NdDe_pri - L5: doublebond_intra_NdCd_pri - L5: doublebond_intra_NdCt_pri - L4: doublebond_intra_NdDe_secNd - L4: doublebond_intra_NdDe_secDe - L3: doublebond_intra_DeDe - L4: doublebond_intra_DeDe_pri - L4: doublebond_intra_DeDe_secNd - L4: doublebond_intra_DeDe_secDe - L2: triplebond_intra - L3: triplebond_intra_H - L3: triplebond_intra_Nd - L3: triplebond_intra_De - L2: carbonylbond_intra - L3: carbonylbond_intra_H - L3: carbonylbond_intra_Nd - L3: carbonylbond_intra_De - -L1: radadd_intra - L2: radadd_intra_cs - L3: radadd_intra_cs2H - L3: radadd_intra_csHNd - L3: radadd_intra_csHDe - L4: radadd_intra_csHCd - L4: radadd_intra_csHCt - L3: radadd_intra_csNdNd - L3: radadd_intra_csNdDe - L4: radadd_intra_csNdCd - L4: radadd_intra_csNdCt - L3: radadd_intra_csDeDe - L2: radadd_intra_cdsingle - L3: radadd_intra_cdsingleH - L3: radadd_intra_cdsingleNd - L3: radadd_intra_cdsingleDe - L2: radadd_intra_cddouble - L2: radadd_intra_CO - L2: radadd_intra_O - L2: radadd_intra_Cb - L2: radadd_intra_Ct diff --git a/output/RMG_database/kinetics_groups/Korcek_step1/dictionary.txt b/output/RMG_database/kinetics_groups/Korcek_step1/dictionary.txt deleted file mode 100644 index bf46f93eaa..0000000000 --- a/output/RMG_database/kinetics_groups/Korcek_step1/dictionary.txt +++ /dev/null @@ -1,15 +0,0 @@ -// Created by Amrit Jalan, December 27, 2011 - -RCH(OOH)CH2C(O)R' -1 C 0 {2,S} {9,S} {4,S} {7,S} -2 C 0 {1,S} {3,S} {11,S} {12,S} -3 *4 C 0 {2,S} {6,D} {8,S} -4 O 0 {1,S} {5,S} -5 *1 O 0 {4,S} {10,S} -6 *3 O 0 {3,D} -7 R 0 {1,S} -8 R 0 {3,S} -9 H 0 {1,S} -10 *2 H 0 {5,S} -11 H 0 {2,S} -12 H 0 {2,S} \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/Korcek_step1/forbiddenGroups.txt b/output/RMG_database/kinetics_groups/Korcek_step1/forbiddenGroups.txt deleted file mode 100644 index 2d02b45c6d..0000000000 --- a/output/RMG_database/kinetics_groups/Korcek_step1/forbiddenGroups.txt +++ /dev/null @@ -1,5 +0,0 @@ -O4 -1 O 1 {2,S} -2 *1 O 0 {1,S} {3,S} -3 *2 O 0 {2,S} {4,S} -4 O 1 {3,S} diff --git a/output/RMG_database/kinetics_groups/Korcek_step1/rateLibrary.txt b/output/RMG_database/kinetics_groups/Korcek_step1/rateLibrary.txt deleted file mode 100644 index 8121ae1dbd..0000000000 --- a/output/RMG_database/kinetics_groups/Korcek_step1/rateLibrary.txt +++ /dev/null @@ -1,8 +0,0 @@ -//Rate rule for cyclization of HOOQ=O species by Amrit Jalan, December 27, 2011 - -// Define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -//No. Y_rad_1 Temp. A n a E0 DA Dn Da DE0 Rank Comments -//1. RCH(OOH)CH2C(O)R' 300-1500 4.96e-12 6.06 0 18.71 0 0 0 0 0 CanTherm calculations using F12-QZ energies for reactants and TS. b3lyp/cbsb7 rotor potentials for HOOQ=O were used. -1. RCH(OOH)CH2C(O)R' 300-1500 2.10e-12 6.17 0 19.20 0 0 0 0 0 CanTherm calculations using F12-QZ energies for reactants and TS. b3lyp/cbsb7 rotor potentials for HOOQ=O were used. diff --git a/output/RMG_database/kinetics_groups/Korcek_step1/reactionAdjList.txt b/output/RMG_database/kinetics_groups/Korcek_step1/reactionAdjList.txt deleted file mode 100644 index f3e539fac5..0000000000 --- a/output/RMG_database/kinetics_groups/Korcek_step1/reactionAdjList.txt +++ /dev/null @@ -1,26 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Amrit Jalan, December 27, 2011 // -// // -////////////////////////////////////////////////////// -// O -- O -// | | -// Korcek Reaction Step 1, cyclization of HOOQ=O: RCH(OOH)CH2C(O)R' = RCH C(OH)R' -// \ / -// CH2 - -RCH(OOH)CH2C(O)R' -> cyclic_peroxide - -forward -reverse: cyclic_peroxide_ringopening - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) CHANGE_BOND {*3,-1,*4} -(3) FORM_BOND {*2,S,*3} -(4) FORM_BOND {*1,S,*4} - - - diff --git a/output/RMG_database/kinetics_groups/Korcek_step1/tree.txt b/output/RMG_database/kinetics_groups/Korcek_step1/tree.txt deleted file mode 100644 index c849091d16..0000000000 --- a/output/RMG_database/kinetics_groups/Korcek_step1/tree.txt +++ /dev/null @@ -1,5 +0,0 @@ -//Amrit Jalan, October 18, 2010 -// Korcek rxn 7 for the formation of acids and methyl ketones from alpha-gamma hydroperoxy ketones - -L1: RCH(OOH)CH2C(O)R' - diff --git a/output/RMG_database/kinetics_groups/Korcek_step2/dictionary.txt b/output/RMG_database/kinetics_groups/Korcek_step2/dictionary.txt deleted file mode 100644 index 4504340dd9..0000000000 --- a/output/RMG_database/kinetics_groups/Korcek_step2/dictionary.txt +++ /dev/null @@ -1,15 +0,0 @@ -// Created by Amrit Jalan, December 27, 2011 - -C1(R)(H)(O[OC3(OH)(R')]C2) -1 *1 C 0 {2,S} {9,S} {4,S} {7,S} -2 *2 C 0 {1,S} {3,S} {11,S} {12,S} -3 *3 C 0 {2,S} {5,S} {6,S} {8,S} -4 *5 O 0 {1,S} {5,S} -5 *4 O 0 {4,S} {3,S} -6 O 0 {3,S} {10,S} -7 R 0 {1,S} -8 R 0 {3,S} -9 *6 H 0 {1,S} -10 H 0 {6,S} -11 H 0 {2,S} -12 H 0 {2,S} \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/Korcek_step2/forbiddenGroups.txt b/output/RMG_database/kinetics_groups/Korcek_step2/forbiddenGroups.txt deleted file mode 100644 index 2d02b45c6d..0000000000 --- a/output/RMG_database/kinetics_groups/Korcek_step2/forbiddenGroups.txt +++ /dev/null @@ -1,5 +0,0 @@ -O4 -1 O 1 {2,S} -2 *1 O 0 {1,S} {3,S} -3 *2 O 0 {2,S} {4,S} -4 O 1 {3,S} diff --git a/output/RMG_database/kinetics_groups/Korcek_step2/rateLibrary.txt b/output/RMG_database/kinetics_groups/Korcek_step2/rateLibrary.txt deleted file mode 100644 index 3cdf1090cd..0000000000 --- a/output/RMG_database/kinetics_groups/Korcek_step2/rateLibrary.txt +++ /dev/null @@ -1,7 +0,0 @@ -//Rate rule for cyclization of HOOQ=O species by Amrit Jalan, December 27, 2011 - -// Define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -//No. Y_rad_1 Temp. A n a E0 DA Dn Da DE0 Rank Comments -1. C1(R)(H)(O[OC3(OH)(R')]C2) 300-1500 3.00e+09 1.38 0 34.40 0 0 0 0 0 CanTherm calculations using F12-QZ energies for reactants and TS. OH rotor potentials for cyclic peroxide obtained at th3 b3lyp/cbsb7 level of theory diff --git a/output/RMG_database/kinetics_groups/Korcek_step2/reactionAdjList.txt b/output/RMG_database/kinetics_groups/Korcek_step2/reactionAdjList.txt deleted file mode 100644 index 23ef2b8721..0000000000 --- a/output/RMG_database/kinetics_groups/Korcek_step2/reactionAdjList.txt +++ /dev/null @@ -1,28 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Amrit Jalan, December 27, 2011 // -// // -////////////////////////////////////////////////////// -// O -- O -// | | -// Korcek Reaction Step 1, cyclization of HOOQ=O: RCH(OOH)CH2C(O)R' = RCH C(OH)R' -// \ / -// CH2 - -C1(R)(H)(O[OC3(OH)(R')]C2) -> C1(R)(O)(C2) + C3(OH)(O)(R') - -forward -reverse: none - -Actions 1 -(1) BREAK_BOND {*1,S,*6} -(2) BREAK_BOND {*4,S,*5} -(3) BREAK_BOND {*2,S,*3} -(4) CHANGE_BOND {*3,1,*4} -(5) CHANGE_BOND {*1,1,*5} -(3) FORM_BOND {*2,S,*6} - - - diff --git a/output/RMG_database/kinetics_groups/Korcek_step2/tree.txt b/output/RMG_database/kinetics_groups/Korcek_step2/tree.txt deleted file mode 100644 index 0ff136e7d9..0000000000 --- a/output/RMG_database/kinetics_groups/Korcek_step2/tree.txt +++ /dev/null @@ -1,5 +0,0 @@ -//Amrit Jalan, October 18, 2010 -// Korcek rxn 7 for the formation of acids and methyl ketones from alpha-gamma hydroperoxy ketones - -L1: C1(R)(H)(O[OC3(OH)(R')]C2) - diff --git a/output/RMG_database/kinetics_groups/Oa_R_Recombination/dictionary.txt b/output/RMG_database/kinetics_groups/Oa_R_Recombination/dictionary.txt deleted file mode 100755 index 70b2471a17..0000000000 --- a/output/RMG_database/kinetics_groups/Oa_R_Recombination/dictionary.txt +++ /dev/null @@ -1,265 +0,0 @@ -// Oa_Radical Recombination -// JS, July, 22, 2003 - -Y_rad -1 *1 R 1 - -H_rad -1 *1 H 1 - -Cs_rad -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -C_methyl -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C_pri_rad -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H2/Cs -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H2/Cd -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cd 0 {1,S} - -C_rad/H2/Ct -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Ct 0 {1,S} - -C_rad/H2/Cb -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cb 0 {1,S} - -C_rad/H2/CO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 CO 0 {1,S} - -C_rad/H2/O -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} - -C_sec_rad -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H/NonDeC -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/NonDeO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/H/CsO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 O 0 {1,S} - -C_rad/H/O2 -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 O 0 {1,S} -4 O 0 {1,S} - -C_rad/H/OneDe -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/H/OneDeC -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/OneDeO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} - -C_rad/H/TwoDe -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -C_ter_rad -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {R!H} 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/NonDeC -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cs,O} 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/Cs3 -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/NDMustO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 O 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/OneDe -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/Cs2 -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/ODMustO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/TwoDe -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/Cs -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -C_rad/TDMustO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} - -C_rad/ThreeDe -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_rad -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -Cd_pri_rad -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -Cd_sec_rad -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {R!H} 0 {1,S} - -Cd_rad/NonDe -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {Cs,O} 0 {1,S} - -Cd_rad/OneDe -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Ct_rad -1 *1 C 1 {2,T} -2 C 0 {1,T} - -Cb_rad -1 *1 Cb 1 {2,B}, {3,B} -2 {Cb,Cbf} 0 {1,B} -3 {Cb,Cbf} 0 {1,B} - -CO_rad -1 *1 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 R 0 {1,S} - -CO_pri_rad -1 *1 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 H 0 {1,S} - -CO_sec_rad -1 *1 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {R!H} 0 {1,S} - -CO_rad/NonDe -1 *1 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cs,O} 0 {1,S} - -CO_rad/OneDe -1 *1 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -O_rad -1 *1 O 1 {2,S} -2 R 0 {1,S} - -O_pri_rad -1 *1 O 1 {2,S} -2 H 0 {1,S} - -O_sec_rad -1 *1 O 1 {2,S} -2 {R!H} 0 {1,S} - -O_rad/NonDe -1 *1 O 1 {2,S} -2 {Cs,O} 0 {1,S} - -O_rad/OneDe -1 *1 O 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -Oa -1 *2 O 2T - diff --git a/output/RMG_database/kinetics_groups/Oa_R_Recombination/forbiddenGroups.txt b/output/RMG_database/kinetics_groups/Oa_R_Recombination/forbiddenGroups.txt deleted file mode 100644 index 67dc3cc06a..0000000000 --- a/output/RMG_database/kinetics_groups/Oa_R_Recombination/forbiddenGroups.txt +++ /dev/null @@ -1,3 +0,0 @@ -O2_birad -1 *1 O 1 {2,S} -2 O 1 {1,S} diff --git a/output/RMG_database/kinetics_groups/Oa_R_Recombination/rateLibrary.txt b/output/RMG_database/kinetics_groups/Oa_R_Recombination/rateLibrary.txt deleted file mode 100755 index 63cc8c323f..0000000000 --- a/output/RMG_database/kinetics_groups/Oa_R_Recombination/rateLibrary.txt +++ /dev/null @@ -1,8 +0,0 @@ -// Oa recomb with R. -// JS, July,22, 2003 - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -//No. Y_rad Oa Temp. A N a E0 DA Dn Da DE0 Rank -1000 Y_rad Oa 300-1500 1E13 0 0 0 0 0 0 0 2 diff --git a/output/RMG_database/kinetics_groups/Oa_R_Recombination/reactionAdjList.txt b/output/RMG_database/kinetics_groups/Oa_R_Recombination/reactionAdjList.txt deleted file mode 100755 index 13442a5bb1..0000000000 --- a/output/RMG_database/kinetics_groups/Oa_R_Recombination/reactionAdjList.txt +++ /dev/null @@ -1,21 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jul 22, 2003 // -// // -////////////////////////////////////////////////////// - - -// Oa Radical Recombination - -Y_rad + Oa -> YO. - -forward -reverse(f08): RO_Bond_Dissociation - -Actions 1 -(1) FORM_BOND {*1,S,*2} -(2) LOSE_RADICAL {*1,1} -(3) LOSE_RADICAL {*2,1} - diff --git a/output/RMG_database/kinetics_groups/Oa_R_Recombination/tree.txt b/output/RMG_database/kinetics_groups/Oa_R_Recombination/tree.txt deleted file mode 100755 index 0935c1cca3..0000000000 --- a/output/RMG_database/kinetics_groups/Oa_R_Recombination/tree.txt +++ /dev/null @@ -1,54 +0,0 @@ -// Oa_Radical Recombination -// JS, July, 22, 2003 - -L1: Y_rad - L2: H_rad - L2: Cs_rad - L3: C_methyl - L3: C_pri_rad - L4: C_rad/H2/Cs - L4: C_rad/H2/Cd - L4: C_rad/H2/Ct - L4: C_rad/H2/Cb - L4: C_rad/H2/CO - L4: C_rad/H2/O - L3: C_sec_rad - L4: C_rad/H/NonDeC - L4: C_rad/H/NonDeO - L5: C_rad/H/CsO - L5: C_rad/H/O2 - L4: C_rad/H/OneDe - L5: C_rad/H/OneDeC - L5: C_rad/H/OneDeO - L4: C_rad/H/TwoDe - L3: C_ter_rad - L4: C_rad/NonDeC - L5: C_rad/Cs3 - L5: C_rad/NDMustO - L4: C_rad/OneDe - L5: C_rad/Cs2 - L5: C_rad/ODMustO - L4: C_rad/TwoDe - L5: C_rad/Cs - L5: C_rad/TDMustO - L4: C_rad/ThreeDe - L2: Cd_rad - L3: Cd_pri_rad - L3: Cd_sec_rad - L4: Cd_rad/NonDe - L4: Cd_rad/OneDe - L2: Ct_rad - L2: Cb_rad - L2: CO_rad - L3: CO_pri_rad - L3: CO_sec_rad - L4: CO_rad/NonDe - L4: CO_rad/OneDe - L2: O_rad - L3: O_pri_rad - L3: O_sec_rad - L4: O_rad/NonDe - L4: O_rad/OneDe - - -L1: Oa \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/R_Addition_COm/comments.rst b/output/RMG_database/kinetics_groups/R_Addition_COm/comments.rst deleted file mode 100644 index 8d72bc9615..0000000000 --- a/output/RMG_database/kinetics_groups/R_Addition_COm/comments.rst +++ /dev/null @@ -1,285 +0,0 @@ - ---- -417 ---- -[102] Arai, H.; Nagai, S.; Hatada, M.; Radiat. Phys. Chem. 1981, 17, 211. -CO + H --> HCO. Data estimated - -pg.215, Table 2: Estimated values of k2 and the reference value of k3 used for the estimation of k2 - -Raw data is (Temperature [=] degC, k2 [=] cm3/molecule/s): - -(72, 3.9x10^-15), (120, 5.6x10^-15), (176, 9.8x10^-15) -Plotting ln(k) vs. 1000/T[=K] and performing a "Linear" regression in Microsoft Excel results - -in "y = -1.3657x - 29.258" with an R^2 value of 0.9762. The A and Ea values calculated -by MRH are thus: A=1.18x10^11 cm3/mol/s, Ea=2.71 kcal/mol, in agreement w/database. -The authors performed an electron beam irradiation of a CH4 gas stream, containing small - -amounts of CO, in a flow system at 1atm. Authors observe a large decrease in H2 with -the addition of small amounts of CO. They assume that this observation must be due to -H+CO-->HCO. They propose the following mechanism: -(1) CH4 = H + CH3 k1 -(2) H + CO = HCO k2 -(3) H + CH4 = H2 + CH3 k3 -The rate of H2 formation: - -d[H2]/dt = RM(H2) + k3[H][CH4] -where RM(H2) is the production of H2 through reactions NOT involving H atoms. - -Using PSSA on [H]: - -d[H]/dt = k1*I*[CH4] - k2[H][CO] - k3[H][CH4] = 0 -where I is the dosage rate. - -Solving for [H] and substituting into the rate of [H2] formation: - -d[H2]/dt = RM(H2) + k1*k3*I*[CH4]^2 / (k2[CO] + k3[CH4]) -Subtracting RM(H2) from both sides, taking the inverse of the expression, and rearrangement yields: - -{d[H2]/dt - RM(H2)}^-1 = {1 + (k2/k3)*([CO]/[CH4])} / {k1*I*[CH4]} -The authors then introduce this "G-value" (proportional to how they detect H2 and CH4???): - -{G(H2) - GM(H2)}^-1 = {1 + (k2/k3)*([CO]/[CH4])} / G(H) -The authors present a plot of {G(H2) - GM(H2)}^-1 vs. [CO]/[CH4] to show it is linear. - -*** NOTE: The authors assume a value of GM(H2) of 4.63, according to Okazaki et al. *** - -From the plot, they extract a (k2/k3) ratio for each temperature tested. Using the k3 values - -reported by Sepehrad et al., they estimate a value of k2. -*** NOTE: Value of k3 used: (72C, 1.52x10^-18 cm3/molecule/s), (120C, 1.51x10^-17 cm3/molecule/s), - -(176C, 1.23x10^-16 cm3/molecule/s). *** -MRH 1-Sept-2009 - - ---- -418 ---- -[103] Gordon, E.B.; Ivanov, B.I; Perminov, A.P; Balalaev, V.E. Chem. Phys. 1978, 35, 79. -CO + H --> HCO. - -Absolute value measured directly with flash photolysis technique. Rate constant is an upper limit. - -pg.86, Table 1: H atom reactions with CO and SO2. Experimentally determined are line shifts - -dv and line broadening deltav/2; calculated are rate constants k and complex lifetimes tau_C. -Raw data is (Temperature [=] K, k [=] cm3/molecule/s): - -(305, >2.5x10^-14), (375, >4.0x10^-14) -Plotting ln(k) vs. 1000/T[=K] and performing a "Linear" regression in Microsoft Excel results - -in "y = -0.768x - 28.802" with an R^2 value of 1. The A and Ea values calculated -by MRH are thus: A=1.87x10^11 cm3/mol/s, Ea=1.53 kcal/mol, in agreement w/database. -*** NOTE: MRH interprets table and "H + CO --> HCO" discussion to mean that the rate - -coefficients reported are LOWER LIMITS. The discussion appears to suggest that -the authors suspect oxygen contamination; they further note that the reaction between -H-atom and O2 is 10^4 times faster than the H+CO-->HCO rxn. *** - ---- -419 ---- -[94] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Frank, P.; Hayman, G,; Just, T.; Kerr, J.A.; Murrells, T.; Pilling, M.J.; -Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1994, 23, 847. - -CO + CH3 --> CH3C0. Extensive literature review. - -pg 871 Evaluated Kinetic Data for Combustion Modelling Supplement 1, Table 3. Combination reactions. - -RMG data matches reference data for k(infinity). - -Verified by Karma James - -pg.973-974: Discussion on evaluated data - -CH3+CO(+m) --> CH3CO(+m): RMG stores k_inf rate coefficient. The recommended rate - -coefficient comes from the preferred (from this reference) rxn rate and the equilibrium -constant (from Bencsura et al.) -MRH 31-Aug-2009 - - ---- -420 ---- -[89] Tsang, W.; Hampson, R.F. J.Phys. Chem. Ref. Data 1986, 15, 1087. -CO + C2H5 --> C2H5CO. - -pg 1096, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 17,14. - -Verified by Karma James - -NOTE: Reported rate coefficients are for k_inf (MRH 11Aug2009) - -pg. 1178-1179: Discussion on evaluated data - -Recommended data (in the form of k_inf) comes from expression given by Watkins and Thompson - -Fall-off corrections and collision efficiencies are also available -(although we do not store them in RMG_database) -MRH 28-Aug-2009 - - ---- -421 ---- -[89] Tsang, W.; Hampson, R.F. J.Phys. Chem. Ref. Data 1986, 15, 1087. -CO + C2H3 --> CH2=CHCO. - -pg 1099, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 19,14. - -Verified by Karma James - -NOTE: Reported rate coefficients are for k_inf (MRH 11Aug2009) - -pg. 1198-1199: Discussion of evaluated data - -Recommended data (in the form of k_inf) is assumed to be equal to the rate expression - -for CO+C2H5-->H3C-CH2-C=O. Authors note the rxn is in the fall-off region -under all conditions. -Fall-off corrections and collision efficiencies are also available -(although we do not store them in RMG_database). -MRH 28-Aug-2009 - - ---- -422 ---- -[104] Nam, G.-J.; Xia, W.; Park, J.; Lin, M. Phys. Chem. A 2000, 104, 1233. -Phenyl + CO --> Benzoyl. Original deltaA = 2.8E+11 - -Absolute value measrued directly. Rate constant is high pressure limit. - -Pressure 0.02-0.16 atm. Excitation: flash photolysis, analysis: Vis-UV absorption. - -Authors use a Beer-Lambert law type expression: - -1/tc = 1/tc_0 + (c*l*epsilon / n*L) * [A](t) -where tc and tc_0 are the decay times of the injected probing photons in the presence - -and absence of absorbing species, c is the speed of light, l is the length of the -absorbing medium, epsilon is the extinction coefficient, n is the refractive index -of the medium, L is the length of the cavity, and [A](t) is the concentration of -the absorbing species at time t. -Assuming a simple association rxn, A decays exponentially: [A](t) = [A](0)*exp(-k'*t). - -Combining this with the previous expression yields: -ln(1/tc - 1/tc_0) = B - k'*t eq. (*) -However, the authors assume the reverse rxn will be significant (C6H5 + CO <--> C6H5CO). - -Thus, they propose the following rate equation: -dx/dt = kf([A](0) - x)[CO] - kr*x -where x is defined as [A](0) - [A](t), [A](t) is the concentration of -the C6H5CO radical at time t, kf is the rate coefficient for C6H5+CO-->C6H5CO, -and kr is the rate coefficient for C6H5CO-->C6H5+CO. -Integrating the above differential equation, assuming constant [CO], yields: - -x = (a/b) * (1-exp(-b*t)) -where a = kf*[CO]*[A](0) and b = kf*[CO] + kr -Recalling that x = [A](0) - [A](t): - -[A](t) = [A](0) - x = [A](0) * {kr + kf*[CO]*exp(-b*t)} / b -Substituting this into the Beer-Lambert law expression: - -1/tc - 1/tc_0 = [A](0) * {kr + kf*[CO]*exp(-b*t)} / b eq. (**) -C6H5 radical was generated from C6H5NO. The rate coefficient for the C6H5+CO reaction - -was measured in the temperature range 295-500K at 12-120 torr, with Ar as the -carrier gas. The authors note that plots of ln(1/tc - 1/tc_0) vs. t exhibited -linear behavior (for a given Temperature and [CO] concentration). The slope of -the plot, computed using a "standard weighted least-squares analysis", yielded k', -the pseudo first-order rate coefficient {eq. (*)}. The authors also note that above 400K, -the plots became nonlinear with time, which the authors attribute to C6H5 -re-generation from the reverse rxn C6H5CO --> C6H5 + CO. This data was analyzed -using eq. (**), to yield b. The pseudo first-order rate coefficients (either k' or b) -were plotted against [CO] to yield the second-order rate coefficient for C6H5+CO. -The authors note that the evaluated kf calculated above and below 400K differ greatly. -The authors performed a "weighted least-squares analysis" on all data to arrive at -the reported bimolecular rate coefficient: -k1 = 10^11.93+/-0.14 * exp[(-1507+/-109)/T] cm3/mole/s -valid from 295-500K at 40 torr Ar pressure. -The authors also investigated the pressure dependence of the rxn at 347K, from 12-120 torr. - -At 347K, the authors do not observe any significant difference. However, at higher -temperatures, pressure effects become significant. The authors performed RRKM -calculations to account for falloff effects, and report the adjusted second-order -rate coefficient as: -k1_inf = 10^12.17+/-0.18 * exp[(-1676+/-149)/T] cm3/mole/s -*** NOTE: RMG database was storing reported k1 value. MRH has changed this so that RMG - -now stores the k1_inf value. *** -MRH 1-Sept-2009 - - ---- -423 ---- -[105] Wang, B.; Hou, H.; Gu, Y. Phys. Chem. A 1999, 103, 8021. -RRK(M) extrapolation. CH3O + CO --> CH3OCO, 250K and 2500K - -Data stored in RMG appears to be linear fit of the following data, presented on pg.8028 - -in the right-hand column under the section heading "3.Implications for Atmospheric -and Combustion Chemistry.": (250K, 5torr, 1.39x10^-19 cm3/molecule/s) and -(2500K, 760torr, 3.10x10^-17 cm3/molecule/s). -Plotting ln(k) vs. 1000/T[=K] and performing a "Linear" regression in Microsoft Excel results - -in "y = -1.502x - 37.412" with an R^2 value of 1. The A and Ea values calculated -by MRH are thus: A=3.40x10^7 cm3/mol/s, Ea=2.98 kcal/mol, in agreement w/database. -MRH 1-Sept-2009 - ---- -424 ---- -CH3 + CO = CH3CO -MRH CBS-QB3 calculations with 1D hindered rotor corrections [MRHCBSQB31DHR]_. - -Methyl (doublet): external symmetry number (EXTSYM) = 6 -CO (singlet): EXTSYM = 1 -TS (doublet): EXTSYM = 1, one hindered rotor (methyl group, symmetry = 3) -CH3CO (doublet): EXTSYM = 1, one hindered rotor (methyl group, symmetry = 3) - ---- -425 ---- -CH3CH2 + CO = CH3CH2CO -MRH CBS-QB3 calculations with 1D hindered rotor corrections [MRHCBSQB31DHR]_. - -Ethyl (doublet): external symmetry number (EXTSYM) = 1, one hindered rotor (methyl group, symmetry = 6) -CO (singlet): EXTSYM = 1 -TS (doublet): EXTSYM = 1, two hindered rotors (methyl group, symmetry = 3; ethyl group, symmetry = 1) -CH3CH2CO (doublet): EXTSYM = 1, two hindered rotors (methyl group, symmetry = 3; ethyl group, symmetry = 1) - ---- -426 ---- -CH3CH2CH2 + CO = CH3CH2CH2CO -MRH CBS-QB3 calculations with 1D hindered rotor corrections [MRHCBSQB31DHR]_. - -n-Propyl (doublet): external symmetry number (EXTSYM) = 1, two hindered rotors (methyl group, symmetry = 3; ethyl group, symmetry = 4) -CO (singlet): EXTSYM = 1 -TS (doublet): EXTSYM = 1, three hindered rotors (methyl group, symmetry = 3; ethyl group, symmetry = 2; propyl group, symmetry = 1) -CH3CH2CH2CO (doublet): EXTSYM = 1, three hindered rotors (methyl group, symmetry = 3; ethyl group, symmetry = 1; propyl group, symmetry = 1) - ---- -427 ---- -CH3CHCH3 + CO = CH3CH(CO)CH3 -MRH CBS-QB3 calculations with 1D hindered rotor corrections [MRHCBSQB31DHR]_. - -iso-Propyl (doublet): external symmetry number (EXTSYM) = 1, two hindered rotors (methyl group, symmetry = 6; methyl group, symmetry = 6) -CO (singlet): EXTSYM = 1 -TS (doublet): EXTSYM = 1, three hindered rotors (methyl group, symmetry = 3; methyl group, symmetry = 3; propyl group, symmetry = 1) -CH3CH(CO)CH3 (doublet): EXTSYM = 1, three hindered rotors (methyl group, symmetry = 3; methyl group, symmetry = 3; propyl group, symmetry = 1) - ----------- -References ----------- -.. [MRHCBSQB31DHR] M.R. Harper (mrharper_at_mit_dot_edu or michael_dot_harper_dot_jr_at_gmail_dot_com) -The geometries of all reactants, products, and the transition state were optimized using the CBS-QB3 method. -The zero-point energy is that computed by the CBS-QB3 calculations. The frequencies were computed with B3LYP/CBSB7. -In computing k(T), an asymmetric tunneling correction was employed, the calculated frequencies were scaled by 0.99, and the -temperatures used were from 600 K to 2000 K (in 200 K increments). diff --git a/output/RMG_database/kinetics_groups/R_Addition_COm/dictionary.txt b/output/RMG_database/kinetics_groups/R_Addition_COm/dictionary.txt deleted file mode 100755 index 89442e59d7..0000000000 --- a/output/RMG_database/kinetics_groups/R_Addition_COm/dictionary.txt +++ /dev/null @@ -1,297 +0,0 @@ -// f04 Radical Addition to COm -// SR, Jan. 30, 2003 -// JS, get rid of *2 O, since O does not participate in the reaction, 1/31/2003 - -COm -1 *1 C 2 {2,D} -2 O 0 {1,D} - -Y_rad -1 *2 R 1 - -H_rad -1 *2 H 1 - -Cs_rad -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -C_methyl -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C_pri_rad -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H2/Cs -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} - -CH2CH3 -1 *2 C 1 {2,S} {3,S} {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 C 0 {1,S} {5,S} {6,S} {7,S} -5 H 0 {4,S} -6 H 0 {4,S} -7 H 0 {4,S} - -CH2CH2CH3 -1 *2 C 1 {2,S} {3,S} {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 C 0 {1,S} {5,S} {6,S} {7,S} -5 H 0 {4,S} -6 H 0 {4,S} -7 C 0 {4,S} {8,S} {9,S} {10,S} -8 H 0 {7,S} -9 H 0 {7,S} -10 H 0 {7,S} - -C_rad/H2/Cd -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cd 0 {1,S} - -C_rad/H2/Ct -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Ct 0 {1,S} - -C_rad/H2/Cb -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cb 0 {1,S} - -C_rad/H2/CO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 CO 0 {1,S} - -C_rad/H2/O -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} - -C_sec_rad -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H/NonDeC -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CH[CH3]2 -1 *2 C 1 {2,S} {3,S} {4,S} -2 H 0 {1,S} -3 C 0 {1,S} {5,S} {6,S} {7,S} -4 C 0 {1,S} {8,S} {9,S} {10,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} -8 H 0 {4,S} -9 H 0 {4,S} -10 H 0 {4,S} - -C_rad/H/NonDeO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/H/CsO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 O 0 {1,S} - -C_rad/H/O2 -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 O 0 {1,S} -4 O 0 {1,S} - -C_rad/H/OneDe -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/H/OneDeC -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/OneDeO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} - -C_rad/H/TwoDe -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -C_ter_rad -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {R!H} 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/NonDeC -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cs,O} 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/Cs3 -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/NDMustO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 O 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/OneDe -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/OD_Cs2 -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/ODMustO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/TwoDe -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/TD_Cs -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -C_rad/TDMustO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} - -C_rad/ThreeDe -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_rad -1 *2 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -Cd_pri_rad -1 *2 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -Cd_sec_rad -1 *2 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {R!H} 0 {1,S} - -Cd_rad/NonDe -1 *2 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {Cs,O} 0 {1,S} - -Cd_rad/OneDe -1 *2 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Ct_rad -1 *2 C 1 {2,T} -2 C 0 {1,T} - -Cb_rad -1 *2 Cb 1 {2,B}, {3,B} -2 {Cb,Cbf} 0 {1,B} -3 {Cb,Cbf} 0 {1,B} - -CO_rad -1 *2 C 1 {2,D} -2 O 0 {1,D} - -CO_pri_rad -1 *2 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 H 0 {1,S} - -CO_sec_rad -1 *2 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {R!H} 0 {1,S} - -CO_rad/NonDe -1 * C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cs,O} 0 {1,S} - -CO_rad/OneDe -1 *2 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -O_rad -1 *2 O 1 - -O_pri_rad -1 *2 O 1 {2,S} -2 H 0 {1,S} - -O_sec_rad -1 *2 O 1 {2,S} -2 {R!H} 0 {1,S} - -O_rad/NonDe -1 *2 O 1 {2,S} -2 {Cs,O} 0 {1,S} - -O_rad/OneDe -1 *2 O 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} diff --git a/output/RMG_database/kinetics_groups/R_Addition_COm/forbiddenGroups.txt b/output/RMG_database/kinetics_groups/R_Addition_COm/forbiddenGroups.txt deleted file mode 100644 index 5b2bd32d8f..0000000000 --- a/output/RMG_database/kinetics_groups/R_Addition_COm/forbiddenGroups.txt +++ /dev/null @@ -1,3 +0,0 @@ -O2_birad -1 *2 O 1 {2,S} -2 O 1 {1,S} diff --git a/output/RMG_database/kinetics_groups/R_Addition_COm/rateLibrary.txt b/output/RMG_database/kinetics_groups/R_Addition_COm/rateLibrary.txt deleted file mode 100755 index 5d0da78c7e..0000000000 --- a/output/RMG_database/kinetics_groups/R_Addition_COm/rateLibrary.txt +++ /dev/null @@ -1,24 +0,0 @@ -// rate library for f04: radical addition to COm - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// Catherina Wijaya thesis, pg 155 - -// f04_radical_addition_to_COm -// rate constants from rate_library_4.txt, Cath, 03/07/28 - -//No. COm Y_rad Temp. A n a E0 DA Dn Da DE0 Rank Comments -416. COm Y_rad 300-1500 1E+11 0 0 5 0 0 0 0 0 -417. COm H_rad 345-449 1.18E+11 0 0 2.72 0 0 0 0 4 Arai et al [102]. -418. COm H_rad 305-375 1.87E+11 0 0 1.53 0 0 0 0 3 Gordon et al [103]. -419. COm C_methyl 300-500 5.06E+11 0 0 6.88 *3.16 0 0 0 4 Baulch et al. [94] -420. COm C_rad/H2/Cs 300-2500 1.51E+11 0 0 4.81 *2.0 0 0 0 4 Tsang et al [89] literature review. -421. COm Cd_pri_rad 300-2500 1.51E+11 0 0 4.81 *5.0 0 0 0 4 Tsang et al [89] literature review. -//422. COm Cb_rad 295-500 8.51E+11 0 0 2.99 *1.5 0 0 0.22 3 Nam et al [104]. -422. COm Cb_rad 295-500 1.48E+12 0 0 3.33 *1.5 0 0 0.30 3 Nam et al [104]. -423. COm O_rad/NonDe 250-2500 3.41E+07 0 0 3.0 0 0 0 0 5 Wang et al. [105]. -424. COm C_methyl 600-2000 3.06E+06 1.89 0 4.82 *3 0 0 2.0 3 MRH CBS-QB3 calculations with 1dHR corrections -425. COm CH2CH3 600-2000 7.70E+07 1.37 0 5.69 *3 0 0 2.0 3 MRH CBS-QB3 calculations with 1dHR corrections -426. COm CH2CH2CH3 600-2000 6.51E+10 0.45 0 6.68 *3 0 0 2.0 3 MRH CBS-QB3 calculations with 1dHR corrections -427. COm CH[CH3]2 600-2000 8.61E+07 1.36 0 4.80 *3 0 0 2.0 3 MRH CBS-QB3 calculations with 1dHR corrections diff --git a/output/RMG_database/kinetics_groups/R_Addition_COm/reactionAdjList.txt b/output/RMG_database/kinetics_groups/R_Addition_COm/reactionAdjList.txt deleted file mode 100755 index 8d74242bb0..0000000000 --- a/output/RMG_database/kinetics_groups/R_Addition_COm/reactionAdjList.txt +++ /dev/null @@ -1,21 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 31, 2003 // -// // -////////////////////////////////////////////////////// - - -// f04 Radical addition to COm (similar to radical recombination) - -COm + Y_rad -> YC.=O - -forward -reverse(f05): COM_Elimination_From_Carbonyl - -Actions 1 -(1) FORM_BOND {*1,S,*2} -(2) LOSE_RADICAL {*1,1} -(3) LOSE_RADICAL {*2,1} - diff --git a/output/RMG_database/kinetics_groups/R_Addition_COm/tree.txt b/output/RMG_database/kinetics_groups/R_Addition_COm/tree.txt deleted file mode 100755 index 14c65b17ab..0000000000 --- a/output/RMG_database/kinetics_groups/R_Addition_COm/tree.txt +++ /dev/null @@ -1,58 +0,0 @@ -// dictionary for f04: Radical Addition to Carbon Monoxide molecule -// SR, Jan. 30, 2003 -// JS, correct typo: change "L5: C_rad/H/TwoDe" into "L4: C_rad/H/TwoDe", 2/3/2003 - -// f04_Radical_addition_to_COm - -L1: COm - -L1: Y_rad - L2: H_rad - L2: Cs_rad - L3: C_methyl - L3: C_pri_rad - L4: C_rad/H2/Cs - L5: CH2CH3 - L5: CH2CH2CH3 - L4: C_rad/H2/Cd - L4: C_rad/H2/Ct - L4: C_rad/H2/Cb - L4: C_rad/H2/CO - L4: C_rad/H2/O - L3: C_sec_rad - L4: C_rad/H/NonDeC - L5: CH[CH3]2 - L4: C_rad/H/NonDeO - L5: C_rad/H/CsO - L5: C_rad/H/O2 - L4: C_rad/H/OneDe - L5: C_rad/H/OneDeC - L5: C_rad/H/OneDeO - L4: C_rad/H/TwoDe - L3: C_ter_rad - L4: C_rad/NonDeC - L5: C_rad/Cs3 - L5: C_rad/NDMustO - L4: C_rad/OneDe - L5: C_rad/OD_Cs2 - L5: C_rad/ODMustO - L4: C_rad/TwoDe - L5: C_rad/TD_Cs - L5: C_rad/TDMustO - L4: C_rad/ThreeDe - L2: Cd_rad - L3: Cd_pri_rad - L3: Cd_sec_rad - L4: Cd_rad/NonDe - L4: Cd_rad/OneDe - L2: Ct_rad - L2: Cb_rad - L2: CO_rad - L3: CO_pri_rad - L3: CO_sec_rad - L2: O_rad - L3: O_pri_rad - L3: O_sec_rad - L4: O_rad/NonDe - L4: O_rad/OneDe - diff --git a/output/RMG_database/kinetics_groups/R_Addition_CSm/dictionary.txt b/output/RMG_database/kinetics_groups/R_Addition_CSm/dictionary.txt deleted file mode 100644 index 3089be8a49..0000000000 --- a/output/RMG_database/kinetics_groups/R_Addition_CSm/dictionary.txt +++ /dev/null @@ -1,297 +0,0 @@ -// f04 Radical Addition to COm -// SR, Jan. 30, 2003 -// JS, get rid of *2 O, since O does not participate in the reaction, 1/31/2003 - -CSm -1 *1 C 2 {2,D} -2 S 0 {1,D} - -Y_rad -1 *2 R 1 - -H_rad -1 *2 H 1 - -Cs_rad -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -C_methyl -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C_pri_rad -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H2/Cs -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} - -CH2CH3 -1 *2 C 1 {2,S} {3,S} {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 C 0 {1,S} {5,S} {6,S} {7,S} -5 H 0 {4,S} -6 H 0 {4,S} -7 H 0 {4,S} - -CH2CH2CH3 -1 *2 C 1 {2,S} {3,S} {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 C 0 {1,S} {5,S} {6,S} {7,S} -5 H 0 {4,S} -6 H 0 {4,S} -7 C 0 {4,S} {8,S} {9,S} {10,S} -8 H 0 {7,S} -9 H 0 {7,S} -10 H 0 {7,S} - -C_rad/H2/Cd -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cd 0 {1,S} - -C_rad/H2/Ct -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Ct 0 {1,S} - -C_rad/H2/Cb -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cb 0 {1,S} - -C_rad/H2/CO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 CO 0 {1,S} - -C_rad/H2/O -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} - -C_sec_rad -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H/NonDeC -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CH[CH3]2 -1 *2 C 1 {2,S} {3,S} {4,S} -2 H 0 {1,S} -3 C 0 {1,S} {5,S} {6,S} {7,S} -4 C 0 {1,S} {8,S} {9,S} {10,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} -8 H 0 {4,S} -9 H 0 {4,S} -10 H 0 {4,S} - -C_rad/H/NonDeO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/H/CsO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 O 0 {1,S} - -C_rad/H/O2 -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 O 0 {1,S} -4 O 0 {1,S} - -C_rad/H/OneDe -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/H/OneDeC -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/OneDeO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} - -C_rad/H/TwoDe -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -C_ter_rad -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {R!H} 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/NonDeC -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cs,O} 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/Cs3 -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/NDMustO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 O 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/OneDe -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/OD_Cs2 -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/ODMustO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/TwoDe -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/TD_Cs -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -C_rad/TDMustO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} - -C_rad/ThreeDe -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_rad -1 *2 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -Cd_pri_rad -1 *2 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -Cd_sec_rad -1 *2 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {R!H} 0 {1,S} - -Cd_rad/NonDe -1 *2 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {Cs,O} 0 {1,S} - -Cd_rad/OneDe -1 *2 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Ct_rad -1 *2 C 1 {2,T} -2 C 0 {1,T} - -Cb_rad -1 *2 Cb 1 {2,B}, {3,B} -2 {Cb,Cbf} 0 {1,B} -3 {Cb,Cbf} 0 {1,B} - -CO_rad -1 *2 C 1 {2,D} -2 O 0 {1,D} - -CO_pri_rad -1 *2 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 H 0 {1,S} - -CO_sec_rad -1 *2 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {R!H} 0 {1,S} - -CO_rad/NonDe -1 * C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cs,O} 0 {1,S} - -CO_rad/OneDe -1 *2 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -O_rad -1 *2 O 1 - -O_pri_rad -1 *2 O 1 {2,S} -2 H 0 {1,S} - -O_sec_rad -1 *2 O 1 {2,S} -2 {R!H} 0 {1,S} - -O_rad/NonDe -1 *2 O 1 {2,S} -2 {Cs,O} 0 {1,S} - -O_rad/OneDe -1 *2 O 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} diff --git a/output/RMG_database/kinetics_groups/R_Addition_CSm/forbiddenGroups.txt b/output/RMG_database/kinetics_groups/R_Addition_CSm/forbiddenGroups.txt deleted file mode 100644 index 5b2bd32d8f..0000000000 --- a/output/RMG_database/kinetics_groups/R_Addition_CSm/forbiddenGroups.txt +++ /dev/null @@ -1,3 +0,0 @@ -O2_birad -1 *2 O 1 {2,S} -2 O 1 {1,S} diff --git a/output/RMG_database/kinetics_groups/R_Addition_CSm/rateLibrary.txt b/output/RMG_database/kinetics_groups/R_Addition_CSm/rateLibrary.txt deleted file mode 100644 index 76cd6f6285..0000000000 --- a/output/RMG_database/kinetics_groups/R_Addition_CSm/rateLibrary.txt +++ /dev/null @@ -1,16 +0,0 @@ -// rate library for f04: radical addition to CSm - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// Catherina Wijaya thesis, pg 155 - -// f04_radical_addition_to_CSm -// rate constants from rate_library_4.txt, Cath, 03/07/28 - - -//No. CSm Y_rad Temp. A n a E0 DA Dn Da DE0 Rank Comments -416. CSm Y_rad 300-1500 1E+11 0 0 5 0 0 0 0 0 Default -417. CSm H_rad 300-1500 1.18E+11 0 0 2.71 0 0 0 0 2 Guessed from CO+H_rad -418. CSm C_methyl 300-1500 1.20E+13 2.11 0 2.46 0 0 0 0 2 CAC CBS-QB3 calc (using methyl group), HO Approx -419. CSm CH2CH3 300-1500 2.01E+10 2.22 0 0.39 0 0 0 0 2 CAC CBS-QB3 calc (using ethyl group), HO approx diff --git a/output/RMG_database/kinetics_groups/R_Addition_CSm/reactionAdjList.txt b/output/RMG_database/kinetics_groups/R_Addition_CSm/reactionAdjList.txt deleted file mode 100644 index c4162f5191..0000000000 --- a/output/RMG_database/kinetics_groups/R_Addition_CSm/reactionAdjList.txt +++ /dev/null @@ -1,20 +0,0 @@ -////////////////////////////////////////////////////// -// // -// reaction adjList for R_Addition_CSm // -// // -// Caleb Class, 29 August, 2011 // -// // -////////////////////////////////////////////////////// - - -// f04 Radical addition to CSm (similar to radical recombination) - -CSm + Y_rad -> YC.=S - -forward -reverse(f05): CSM_Elimination_From_Thiocarbonyl - -Actions 1 -(1) FORM_BOND {*1,S,*2} -(2) LOSE_RADICAL {*1,1} -(3) LOSE_RADICAL {*2,1} \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/R_Addition_CSm/tree.txt b/output/RMG_database/kinetics_groups/R_Addition_CSm/tree.txt deleted file mode 100644 index bdbabb93dc..0000000000 --- a/output/RMG_database/kinetics_groups/R_Addition_CSm/tree.txt +++ /dev/null @@ -1,58 +0,0 @@ -// dictionary for f04: Radical Addition to Carbon Monoxide molecule -// SR, Jan. 30, 2003 -// JS, correct typo: change "L5: C_rad/H/TwoDe" into "L4: C_rad/H/TwoDe", 2/3/2003 - -// f04_Radical_addition_to_COm - -L1: CSm - -L1: Y_rad - L2: H_rad - L2: Cs_rad - L3: C_methyl - L3: C_pri_rad - L4: C_rad/H2/Cs - L5: CH2CH3 - L5: CH2CH2CH3 - L4: C_rad/H2/Cd - L4: C_rad/H2/Ct - L4: C_rad/H2/Cb - L4: C_rad/H2/CO - L4: C_rad/H2/O - L3: C_sec_rad - L4: C_rad/H/NonDeC - L5: CH[CH3]2 - L4: C_rad/H/NonDeO - L5: C_rad/H/CsO - L5: C_rad/H/O2 - L4: C_rad/H/OneDe - L5: C_rad/H/OneDeC - L5: C_rad/H/OneDeO - L4: C_rad/H/TwoDe - L3: C_ter_rad - L4: C_rad/NonDeC - L5: C_rad/Cs3 - L5: C_rad/NDMustO - L4: C_rad/OneDe - L5: C_rad/OD_Cs2 - L5: C_rad/ODMustO - L4: C_rad/TwoDe - L5: C_rad/TD_Cs - L5: C_rad/TDMustO - L4: C_rad/ThreeDe - L2: Cd_rad - L3: Cd_pri_rad - L3: Cd_sec_rad - L4: Cd_rad/NonDe - L4: Cd_rad/OneDe - L2: Ct_rad - L2: Cb_rad - L2: CO_rad - L3: CO_pri_rad - L3: CO_sec_rad - L2: O_rad - L3: O_pri_rad - L3: O_sec_rad - L4: O_rad/NonDe - L4: O_rad/OneDe - diff --git a/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/comments.rst b/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/comments.rst deleted file mode 100644 index e82528c5e1..0000000000 --- a/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/comments.rst +++ /dev/null @@ -1,825 +0,0 @@ ---- -281 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -in his reaction type 3. Based on the recommendations of -[146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. - ---- -282 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -in his reaction type 3. Based on the recommendations of -[146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. - ---- -283 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -in his reaction type 3. Based on the recommendations of -[146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. - ---- -284 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -in his reaction type 3. Based on the recommendations of -[146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. - ---- -285 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -in his reaction type 3. Based on the recommendations of -[146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. - ---- -286 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -in his reaction type 3. Based on the recommendations of -[146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. - ---- -287 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -in his reaction type 20. Based on the recommendations of -[146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. - ---- -288 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -in his reaction type 20. Based on the recommendations of -[146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. - ---- -289 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -in his reaction type 20. Based on the recommendations of -[146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. - ---- -290 ---- -[94] Baulch,D.L.; Cobos,C.J.;Cox,R.A;Frank,P.;Hayman,G.;Just,T.;Kerr,J.A.;Murells,T.;Philling,M.J.;Troe,J.;Walker,R.W.; Warnatz, J. J Phys Chem. Ref. Data 1994,23,847. -literature review. C2H4 + H --> C2H5. C.D.W. divided rate expression by 2, to get rate of addition per site -pg.916-920: Discussion on evaluated data - -H+C2H4(+m) --> C2H5(+m): "The analysis of the rxn is based on theoretical fall-off - -curves and strong collision low pressure rate coefficients which were calculated -using a rxn threshold of 154.78 kJ/mol." The rate coefficient stored in RMG -is the high-pressure limit, k_inf. -MRH 31-Aug-2009 - - ---- -291 ---- -[89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -literature review. C2H4 + CH3 --> n-C3H7. C.D.W. divided rate expression by 2, to get rate of addition per site -pg. 1191: Discussion on evaluated data - -Entry 18,16 (b) - -Recommended data is from other Review paper by Kerr and Parsonage (1972) - -MRH 28-Aug-2009 - - ---- -292 ---- -[147] Knyazev,V.D.;Slagle,I.R. J Phys. Chem. 1996 100, 5318. -Pressure up to 10 atm. Excitation; thermal, analysis: mass spectrometry. C2H4 + C2H5--> n-C4H9. C.D.W. divided rate expression by 2, to get rate of addtion per site - ---- -293 ---- -[90] Tsang,W.J. Phys. Chem. Ref. Data 1987,16,471. -literature review. C2H4+ CH2OH --> CH2CH2CH2OH C.D.W. divided rate expression by 2, to get rate of addition per site -pg. 502: Discussion on evaluated data - -Entry 39,18 (a): No data available at the time. Author suggests rate coefficient expression - -of 8.0x10^-14 * exp(-3500/T) cm3/molecule/s noting rates of alkyl radical addition -to ethylene are similar (Kerr, J.A., Trotman-Dickenson, A.F.) -MRH 30-Aug-2009 - - ---- -294 ---- -[148] Weissman and Benson. Estimated values. Activation energy is a lower limit. Pressure 1.00 atm. -C2H4 + C2H3 --> CH2=CHCH2CH2 C.D.W. divided rate expression by 2, to get rate of addition per site - ---- -295 ---- -[89] Tsang et al. Literature Review. -C2H4 + OH --> CH2CH2OH C.D.W. divided rate expression by 2, to get rate of addition per site - -pg. 1189: Discussion on evaluated data (in theory) - -Online reference does not have pages 1188-1189; pages 1198-1199 come between -pages 1187&1190 and between 1197&1200 -Following discussion is only based on table (pg. 1097) that summarizes all evaluated - -data in the reference -Entry 18,6 (b) - -Table states rxn is pressure-dependent: C2H4+OH(+M)=C2H4OH(+M) - -Only data available in table is k=9.0x10^-12 -MRH 28-Aug-2009 - - ---- -296 ---- -[149] Tsang experiments and limited review. CH3CH=CH2 + H --> iso-C3H7 - ---- -297 ---- -[150] Knayzev et al. Data derived from fitting to a complex mechanism. Pressure up to 10 atm. Excitation : flash photolysis, analysis : mass spectrometry -CH3CH=CH2 + CH3 --> sec-C4H9 - - ---- -298 ---- -[93] Tsang literature review. CH3CH=CH2 + CH3 --> sec-C4H9 -pg.237-239: Discussion on evaluated data - -Entry 46,16(a): Recommended rate coefficient is that reported by Kerr and Parsonage (1972). - -Author notes that rxn is pressure dependent and lists fall-off ratios and -collision efficiencies; these are not stored in RMG. -MRH 31-Aug-2009 - - ---- -299 ---- -[151] Barbe et al. Data is estimated. Pressure 0.04-0.26 atm. CH3CH=CH2 + .CH2CH=CH2 --> CH3CH(.)CH2CH2CH=CH2 - ---- -300 ---- -[93] Tsang literature review. CH3CH=CH2 + tert-C4H9 --> (CH3)3CCH2CH(.)CH3 -pg.247: Discussion on evaluated data - -Entry 46,44(terminal): Recommended rate coefficient is based on summary of data on alkyl - -radical addition to olefins (Kerr and Parsonage, 1972). -MRH 31-Aug-2009 - - ---- -301 ---- -[152] Perrin et al. Data is estimated. Pressure 0.01-0.13 atm. -CH2=CHCH=CH2 + .CH3 --> CH2CH=CHCH2CH3 C.D.W. divied rate expression by 2, to get rate of addition per site. - - ---- -302 ---- -[153] Knayzev et al. Pressure ~ 0.01 atm. Excitation : thermal, analysis : GC Iso-C4H8 + CH3 --> (CH3)2CCH2CH3 - ---- -303 ---- -[303] Seres et al. Data derived from fitting to a complex mechanism. Excitation : thermal, analysis : GC Iso-C4H8 + CH3 --> (CH3)2CCH2CH3 - ---- -304 ---- -[149] Tsang experiments and limited review. CH3CH=CH2 + H --> n-C3H7 - ---- -305 ---- -[147] Knyazev et al. Pressure up to 10 atm. Excitation : thermal, analysis : mass spectrometry. -CH3CH=CH2 + CH3 --> iso-C4H9 - - ---- -306 ---- -[93] literature review. CH3CH=CH2 + CH3 --> iso-C4H9 -pg.237-239: Discussion on evaluated data - -Entry 46,16(b): Recommended rate coefficient is from reverse rate and equilibrium constant. - -Author notes that rxn is pressure dependent and lists fall-off ratios and -collision efficiencies; these are not stored in RMG. -MRH 31-Aug-2009 - - ---- -307 ---- -[155] Slagle et al. Data deriver from detailed balance/reverse rate. Pressure ~ 0.01 atm. -Iso-C4H8 + .CH3 --> (CH3)3CCH2 - - ---- -308 ---- -[8] Curran et al. in his reaction type 3. Based on recommendations of Allara and Shaw. [146] - ---- -309 ---- -[8] Curran et al. in his reaction type 3. Based on recommendations of Allara and Shaw. [146] - ---- -310 ---- -[8] Curran et al. in his reaction type 3. Based on recommendations of Allara and Shaw. [146] - ---- -311 ---- -[8] Curran et al. in his reaction type 3. Based on recommendations of Allara and Shaw. [146] - ---- -312 ---- -[8] Curran et al. in his reaction type 3. Based on recommendations of Allara and Shaw. [146] - ---- -314 ---- -[156] Scherzer et al. Data derived from fitting to a complex mechanism. Pressure 0.04 atm. Excitation: thermal, analysis: GC. -CH2=C=CH2 + .CH3 --> CH3CH2C=CH2 - - ---- -315 ---- -[157] Tsang et al. Absolute Value Measured directly. Pressure 2 - 7 atm. Excitation: thermal, analysis : GC. -CH2=C=CH2 + H --> .CH2CH=CH2 - - ---- -316 ---- -[158] Tsang. Data is estimated. Pressure 1.50-5.00 atm. CH2=C=CH2 + CH3 --> CH2C(CH3)=CH2 - ---- -317 ---- -[8] Curran et al. In his reaction type 18. - ---- -318 ---- -[8] Curran et al. In his reaction type 18. - ---- -319 ---- -[144] Bozzelli et al. Based upon CH3 addition to CO (Anastasi and Maw) - ---- -320 ---- -[159] Curran et al. His estimation in DME oxidation modeling for ketohydroperoxide decomposition. -H2CO + HCO2. (formic acid radical) --> + .OCH2OCHO (ester) (Rxn. 338, p. 234) - -Verified by Greg Magoon; it is not immediately clear whether this rate constant is for high pressure limit, but based on other references to high pressure limit in the paper, I suspect that it is a high pressure limit value; also, note that CO_O group is used for H2CO...MRH and I have interpreted CO_O as referring to any carbonyl group - ---- -321 ---- -[160] Knoll et al. Data derived from fitting to a complex mechanism. Pressure 0.08 atm. Excitation : direct photolysis, analysis : mass spectrometry. -N-C3H7 + C2HO --> N-C4H9O - ---- -322 ---- -[161] Knoll et al. Absolute value measured directly. Pressure 0.28 - 1.17 atm. Excitation : thermal, analysis : mass spectrometry. -(CH3)2CO + .CH3 --> (CH3)3CO - - ---- -323 ---- -[134] Warnatz literature review. C.D.W divided rate expression by 2, to get rate of addition per site. -C2H2 + H --> C2H3 - - ---- -324 ---- -[162] E.W.Diau and M.C.Lin. RRK(M) extrapolation. C.D.W divided rate expression by 2, to get rate of addition per site. -C2H2 + CH3 --> CH3CH=CH - - ---- -325 ---- -[163] Kerr et al. literature review. Pressure 0.03-0.20 atm. C.D.W divided rate expression by 2, to get rate of addition per site. -C2H2 + .C2H5 --> CH3CH2CH=CH - - ---- -326 ---- -[93] Tsang et al. literature review. Pressure 0.03-0.20 atm. C.D.W divided rate expression by 2, to get rate of addition per site. -C2H2 + .CH2CH=CH2 --> CHCH2CH=CH - -pg.263: Discussion on evaluated data - -Entry 47,20(a): Recommended rate coefficient is estimated from the addition of alkyl - -radicals to C2H2. Author notes that this could be used as an upper limit for -cyclopentadiene formation. -MRH 31-Aug-2009 - - ---- -327 ---- -[163] Kerr et al. literature review. Pressure 0.07-0.13 atm. C.D.W divided rate expression by 2, to get rate of addition per site. -C2H2 + Iso-C3H7 --> (CH3)2CHCH=CH - - ---- -328 ---- -[164] Dominguez et al. Data derived from fitting to a complex mechanism. Pressure 0.01-0.32 atm. Excitation : direct photolysis, analysis : GC. -C2H2 + Tert-C4H9 --> (CH3)3CCH=CH C.D.W divided rate expression by 2, to get rate of addition per site. - - ---- -329 ---- -[121] Weissman et al. Transition state theory. C.D.W divided rate expression by 2, to get rate of addition per site. -C2H2 + C2H3 --> CH2=CHCH=CH. - - ---- -330 ---- -[165] Duran et al. Ab initio. C.D.W divided rate expression by 2, to get rate of addition per site. -C2H2 + C2H3 --> CH2=CHCH=CH. (Rxn. -5?) - -Verified by Greg Magoon: note: NIST seems to have values (http://kinetics.nist.gov/kinetics/Detail?id=1988DUR/AMO636:5 , which agree with RMG's original values) that are slightly diferent than this paper's values (p. 637); I can't seem to figure out where the NIST values are coming from (maybe Table 3?); therefore, I have changed rateLibrary to use paper parameters of 10^8.8 (/2) and 4.9 kcal/mol (these values seem to actually be taken from other publications, however), which I am assuming to be high-pressure values; also note that values from other sources are available in the NIST Kinetics Database - ---- -331 ---- -[165] Duran et al. Ab initio. C.D.W divided rate expression by 2, to get rate of addition per site. -C2H2 + CCH --> HC(tb)CCH=CH. (Rxn. 18?) - -NIST Record: http://kinetics.nist.gov/kinetics/Detail?id=1988DUR/AMO636:4 -Verified by Greg Magoon: it looks like value is taken from Rxn 18 of Table 3 (1E10), and is apparently non-pressure dependent (and non-temp dependent); based on the table, it looks like Ref. 42 in this paper may be the ultimate source of the value? - ---- -332 ---- -[95] Baulch et al. literature review. C.D.W divided rate expression by 2, to get rate of addition per site. -C2H2 + .OH --> HOCH=CH - -pg.583-584: Discussion on evaluated data - -OH+C2H2(+m) --> C2H2OH(+m): "At temperatures below ~1100K and at atmospheric pressure, - -the addition channel becomes important and shows a strong pressure dependence. -The following parameters give a reasonable representation of the high temperature data -for k and are also compatible with Atkinson's analysis at low temperature ..." -RMG stores the recommended high-pressure limit rate coefficient, k_inf. - -MRH 31-Aug-2009 - - ---- -333 ---- -[166] Miller et al. Transition State Theory. C.D.W divided rate expression by 2, to get rate of addition per site. -Same reaction as #332, #333 ranked as more accurate in rate library than #332, but they are both from relatively old sources from the early '90s. - -C2H2 + .OH --> HOCH=CH - - ---- -334 ---- -[144] Bozzelli et al. Based upon CH3 addition to C2H2 (NIST) - ---- -335 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -336 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -337 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -338 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -339 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -340 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -341 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -342 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -343 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -344 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -345 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -346 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -347 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -348 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -349 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -350 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -351 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -352 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -353 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -354 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -355 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -356 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -357 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -358 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -359 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -360 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -361 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -362 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -363 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -364 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -365 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -366 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -367 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -368 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -369 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -370 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -371 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -372 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -373 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -374 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -375 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -376 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -377 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -378 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -379 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -380 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -381 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -382 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -383 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -384 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -385 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -386 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -387 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -388 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -389 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -390 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -391 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -392 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -393 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -394 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -395 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -396 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -397 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -398 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -399 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -400 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -401 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -402 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -403 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -404 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -405 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -406 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -407 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -408 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -409 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -410 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -411 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -412 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -413 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -414 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -415 ---- -Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. - ---- -416 ---- -Sandeep CBS-QB3 calculations diff --git a/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/dictionary.txt b/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/dictionary.txt deleted file mode 100644 index 6f2ab1a077..0000000000 --- a/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/dictionary.txt +++ /dev/null @@ -1,8302 +0,0 @@ -//dictionary: f02 radical addition to multiple bond except benzene bond -//SR, Jan. 30, 2003 -// CDW : since having both Cd/H/H and Cd/H2, Cd/Nd/Nd and Cd/Nd2, Cd/De/De and Cd/De2 at the same time -// are confusing, made them uniform as Cd/H2, Cd/Nd2, and Cd/De2. 03/25/03 -//Sandeep included Y_birad in Y_rad. This enables Oa to react with multiple bond - -R_R -Union {Cd_R,Ct_R,Od_R,Sd_R} - -Cd_R -1 *1 C 0 {2,D} -2 *2 R 0 {1,D} - -Cds_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 R X {1,S} -4 R X {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-HH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-HH_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-HH_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-HH_Cds-Cs\Os/H -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} {7,S} -6 H 0 {2,S} -7 Os 0 {5,S} - -Cds-HH_Cds-Cs\H3/H -1 C 0 {2,S} {4,S} {5,S} {6,S} -2 *2 C 0 {1,S} {3,D} {7,S} -3 *1 C 0 {2,D} {8,S} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {2,S} -8 H 0 {3,S} -9 H 0 {3,S} - -Cds-HH_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-HH_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-HH_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-HH_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-HH_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-HH_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-HH_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-HH_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-HH_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-HH_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-HH_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-HH_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-HH_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-HH_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-HH_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-HH_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-HH_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-HH_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-HH_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-HH_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-HH_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-HH_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-HH_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-HH_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-HH_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-HH_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-HH_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-HH_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-HH_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-HH_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-HH_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-HH_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-HH_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-HH_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-HH_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-CsH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CsH_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-Cs\Os/H_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Os 0 {3,S} - -Cds-CsH_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CsH_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CsH_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CsH_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CsH_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CsH_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CsH_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CsH_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CsH_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CsH_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsH_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsH_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsH_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsH_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsH_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsH_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsH_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsH_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsH_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsH_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsH_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsH_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsH_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsH_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsH_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsH_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsH_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsH_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CsH_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CsH_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CsH_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CsH_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CsH_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsH_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsH_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsH_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-CsCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CsCs_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-CsCs_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CsCs_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CsCs_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CsCs_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CsCs_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CsCs_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CsCs_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CsCs_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CsCs_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CsCs_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsCs_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsCs_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsCs_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsCs_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsCs_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsCs_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsCs_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsCs_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsCs_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsCs_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsCs_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsCs_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsCs_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsCs_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsCs_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsCs_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsCs_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsCs_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CsCs_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CsCs_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CsCs_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CsCs_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CsCs_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsCs_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsCs_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsCs_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-SsH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ss 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-SsCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-SsSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-OsH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Os 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-OsH_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Os 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - - -Cds-OsCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-OsOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Os 0 {1,S} -4 Os 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-OsSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Os 0 {1,S} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-OneDe_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 R 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-OneDeH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CdH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdH_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdH_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdH_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdH_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {5,D} -9 C 0 {6,D} - -Cds-CdH_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdH_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdH_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdH_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 Cd 0 {2,S} {9,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {5,D} - -Cds-CdH_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {9,D} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} -9 C 0 {3,D} - -Cds-CtH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CtH_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-CtH_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CtH_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtH_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CtH_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtH_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CtH_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CtH_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtH_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CtH_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CtH_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtH_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtH_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtH_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtH_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtH_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtH_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtH_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtH_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtH_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtH_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtH_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtH_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtH_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtH_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtH_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtH_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtH_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtH_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CtH_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CtH_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CtH_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CtH_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CtH_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtH_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtH_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtH_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-CbH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CbH_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-CbH_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CbH_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CbH_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CbH_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CbH_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CbH_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CbH_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CbH_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CbH_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CbH_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbH_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbH_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbH_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbH_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbH_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbH_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbH_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbH_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbH_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbH_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbH_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbH_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbH_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbH_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbH_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbH_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbH_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbH_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CbH_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CbH_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CbH_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CbH_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CbH_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbH_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbH_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbH_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-COH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 CO 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-C=SH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Cd 0 {1,S} {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-OneDeCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CdCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCs_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCs_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCs_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCs_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {5,D} -9 C 0 {6,D} - -Cds-CdCs_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdCs_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdCs_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdCs_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {9,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {5,D} - -Cds-CdCs_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {9,D} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} -9 C 0 {3,D} - -Cds-CtCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CtCs_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-CtCs_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CtCs_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtCs_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CtCs_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtCs_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CtCs_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CtCs_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtCs_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CtCs_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CtCs_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCs_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCs_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCs_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCs_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCs_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCs_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCs_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCs_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCs_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCs_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCs_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCs_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCs_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCs_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCs_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCs_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCs_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCs_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CtCs_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CtCs_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CtCs_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CtCs_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CtCs_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCs_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCs_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCs_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-CbCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CbCs_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-CbCs_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CbCs_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CbCs_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CbCs_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CbCs_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CbCs_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CbCs_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CbCs_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CbCs_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CbCs_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbCs_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbCs_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbCs_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbCs_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbCs_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbCs_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbCs_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbCs_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbCs_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbCs_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbCs_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbCs_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbCs_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbCs_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbCs_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbCs_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbCs_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbCs_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CbCs_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CbCs_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CbCs_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CbCs_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CbCs_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbCs_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbCs_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbCs_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-COCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-C=SCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Cd 0 {1,S} {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-OneDeSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CdSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CtSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CbSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-COSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 CO 0 {1,S} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-C=SSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Cd 0 {1,S} {5,D} -4 Ss 0 {1,S} -5 Sd 0 {3,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-OneDeOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Os 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CdOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Os 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CtOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Os 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CbOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Os 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-COOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 CO 0 {1,S} -4 Os 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-C=SOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Cd 0 {1,S} {5,D} -4 Os 0 {1,S} -5 Sd 0 {3,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-TwoDe_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CdCd_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 H 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 Ss 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 H 0 {2,S} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {6,D} - -Cds-CdCd_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 H 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 H 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 H 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {6,D} - -Cds-CdCd_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {6,D} - -Cds-CdCd_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {6,D} - -Cds-CdCd_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cd 0 {2,S} {9,D} -6 Cd 0 {2,S} {10,D} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {5,D} -10 C 0 {6,D} - -Cds-CdCd_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cd 0 {2,S} {9,D} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {5,D} - -Cds-CdCd_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cd 0 {2,S} {9,D} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {5,D} - -Cds-CdCd_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cd 0 {2,S} {9,D} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {5,D} - -Cds-CdCd_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 Cd 0 {2,S} {10,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} -10 C 0 {5,D} - -Cds-CdCd_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ct 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ct 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ct 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cb 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cb 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 CO 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {9,D} -4 Cd 0 {1,S} {10,D} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} -9 C 0 {3,D} -10 C 0 {4,D} - -Cds-CdCt_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCt_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCt_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCt_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCt_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {5,D} -9 C 0 {6,D} - -Cds-CdCt_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdCt_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdCt_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdCt_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {9,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {5,D} - -Cds-CdCt_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {9,D} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} -9 C 0 {3,D} - -Cds-CdCb_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cb 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CdCO_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 CO 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CdC=S_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} -6 R 0 {2,S} -7 R 0 {2,S} -8 C 0 {3,D} - -Cds-CtCt_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CtCt_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-CtCt_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CtCt_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtCt_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CtCt_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtCt_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CtCt_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CtCt_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtCt_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CtCt_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CtCt_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCt_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCt_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCt_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCt_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCt_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCt_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCt_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCt_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCt_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCt_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCt_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCt_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCt_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCt_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCt_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCt_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCt_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCt_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CtCt_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CtCt_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CtCt_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CtCt_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CtCt_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCt_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCt_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCt_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-CtCb_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cb 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CtCO_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 CO 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CtC=S_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Ct 0 {1,S} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-CbCb_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cb 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CbCO_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 CO 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CbC=S_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Cb 0 {1,S} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-COCO_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 CO 0 {1,S} -4 CO 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-COC=S_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 CO 0 {1,S} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-C=SC=S_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {7,S} {8,S} -3 Cd 0 {1,S} {5,D} -4 Cd 0 {1,S} {6,D} -5 Sd 0 {3,D} -6 Sd 0 {4,D} -7 R 0 {2,S} -8 R 0 {2,S} - -Cds-OJH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 O 1 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-OJH_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 O 1 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-OJH_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 O 1 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-OJNonDe_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 O 1 {1,S} -4 {Cs,Os,Ss} 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-OJCs_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 O 1 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-OJDe_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 O 1 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds_Cdd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D} -3 R X {1,S} -4 R X {1,S} - -Cds_Ca -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 R X {1,S} -4 R X {1,S} -5 C 0 {2,D} - -Cds-HH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -Cds-CsH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -Cds-CsCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -Cds-OneDeH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 C 0 {2,D} - -Cds-CdH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 C 0 {4,D} - -Cds-CtH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 Ct 0 {1,S} -5 C 0 {2,D} - -Cds-CbH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 Cb 0 {1,S} -5 C 0 {2,D} - -Cds-COH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 CO 0 {1,S} -5 C 0 {2,D} - -Cds-C=SH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 Sd 0 {4,D} - -Cds-OneDeCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 C 0 {2,D} - -Cds-CdCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 C 0 {4,D} - -Cds-CtCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 Ct 0 {1,S} -5 C 0 {2,D} - -Cds-CbCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 Cb 0 {1,S} -5 C 0 {2,D} - -Cds-COCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 CO 0 {1,S} -5 C 0 {2,D} - -Cds-C=SCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 Sd 0 {4,D} - -Cds-TwoDe_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 C 0 {2,D} - -Cds-CdCd_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cd 0 {1,S} {6,D} -4 Cd 0 {1,S} {7,D} -5 C 0 {2,D} -6 C 0 {3,D} -7 C 0 {4,D} - -Cds-CdCt_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cd 0 {1,S} {6,D} -4 Ct 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -Cds-CdCb_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cd 0 {1,S} {6,D} -4 Cb 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -Cds-CdCO_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cd 0 {1,S} {6,D} -4 CO 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -Cds-CdC=S_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 Sd 0 {4,D} -7 C 0 {3,D} - -Cds-CtCt_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 C 0 {2,D} - -Cds-CtCb_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Ct 0 {1,S} -4 Cb 0 {1,S} -5 C 0 {2,D} - -Cds-CtCO_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Ct 0 {1,S} -4 CO 0 {1,S} -5 C 0 {2,D} - -Cds-CtC=S_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Ct 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 Sd 0 {4,D} - -Cds-CbCb_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cb 0 {1,S} -4 Cb 0 {1,S} -5 C 0 {2,D} - -Cds-CbCO_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cb 0 {1,S} -4 CO 0 {1,S} -5 C 0 {2,D} - -Cds-CbC=S_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cb 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 Sd 0 {4,D} - -Cds-COCO_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 CO 0 {1,S} -4 CO 0 {1,S} -5 C 0 {2,D} - -Cds-COC=S_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 CO 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 Sd 0 {4,D} - -Cds-C=SC=S_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cd 0 {1,S} {6,D} -4 Cd 0 {1,S} {7,D} -5 C 0 {2,D} -6 Sd 0 {3,D} -7 Sd 0 {4,D} - -Cds_Ck -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 R X {1,S} -4 R X {1,S} -5 Od 0 {2,D} - -Cds-HH_Ck -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 Od 0 {2,D} - -Cds-CsH_Ck -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 Cs 0 {1,S} -5 Od 0 {2,D} - -Cds-OneDeH_Ck -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -Cds-CsCs_Ck -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Od 0 {2,D} - -Cds-OneDeCs_Ck -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -Cds-TwoDe_Ck -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -Cdd_Cds -1 *1 Cdd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 R 0 {2,S} -4 R 0 {2,S} - -Ca_Cds -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 R 0 {2,S} -5 R 0 {2,S} - -Ca_Cds-HH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 H 0 {2,S} -5 H 0 {2,S} - -Ca_Cds-CsH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cs 0 {2,S} -5 H 0 {2,S} - -Ca_Cds-CsCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cs 0 {2,S} -5 Cs 0 {2,S} - -Ca_Cds-OneDeH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 H 0 {2,S} - -Ca_Cds-CdH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 H 0 {2,S} -6 C 0 {4,D} - -Ca_Cds-CtH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Ct 0 {2,S} -5 H 0 {2,S} - -Ca_Cds-CbH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cb 0 {2,S} -5 H 0 {2,S} - -Ca_Cds-COH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 CO 0 {2,S} -5 H 0 {2,S} - -Ca_Cds-C=SH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 H 0 {2,S} -6 Sd 0 {4,D} - -Ca_Cds-OneDeCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Cs 0 {2,S} - -Ca_Cds-CdCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cs 0 {2,S} -6 C 0 {4,D} - -Ca_Cds-CtCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Ct 0 {2,S} -5 Cs 0 {2,S} - -Ca_Cds-CbCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cb 0 {2,S} -5 Cs 0 {2,S} - -Ca_Cds-COCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 CO 0 {2,S} -5 Cs 0 {2,S} - -Ca_Cds-C=SCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cs 0 {2,S} -6 Sd 0 {4,D} - -Ca_Cds-TwoDe -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -Ca_Cds-CdCd -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cd 0 {2,S} {7,D} -6 C 0 {4,D} -7 C 0 {5,D} - -Ca_Cds-CdCt -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Ct 0 {2,S} -6 C 0 {4,D} - -Ca_Cds-CdCb -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cb 0 {2,S} -6 C 0 {4,D} - -Ca_Cds-CdCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 CO 0 {2,S} -6 C 0 {4,D} - -Ca_Cds-CdC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {7,D} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} -7 C 0 {4,D} - -Ca_Cds-CtCt -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Ct 0 {2,S} -5 Ct 0 {2,S} - -Ca_Cds-CtCb -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Ct 0 {2,S} -5 Cb 0 {2,S} - -Ca_Cds-CtCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Ct 0 {2,S} -5 CO 0 {2,S} - -Ca_Cds-CtC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Ct 0 {2,S} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} - -Ca_Cds-CbCb -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cb 0 {2,S} -5 Cb 0 {2,S} - -Ca_Cds-CbCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cb 0 {2,S} -5 CO 0 {2,S} - -Ca_Cds-CbC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cb 0 {2,S} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} - -Ca_Cds-COCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 CO 0 {2,S} -5 CO 0 {2,S} - -Ca_Cds-COC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 CO 0 {2,S} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} - -Ca_Cds-C=SC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cd 0 {2,S} {7,D} -6 Sd 0 {4,D} -7 Sd 0 {5,D} - -Ck_Cds -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 R 0 {2,S} -5 R 0 {2,S} - -Ck_Cds-HH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 H 0 {2,S} -5 H 0 {2,S} - -Ck_Cds-CsH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cs 0 {2,S} -5 H 0 {2,S} - -Ck_Cds-CsCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cs 0 {2,S} -5 Cs 0 {2,S} - -Ck_Cds-OneDeH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 H 0 {2,S} - -Ck_Cds-CdH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 H 0 {2,S} -6 C 0 {4,D} - -Ck_Cds-CtH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Ct 0 {2,S} -5 H 0 {2,S} - -Ck_Cds-CbH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cb 0 {2,S} -5 H 0 {2,S} - -Ck_Cds-COH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 CO 0 {2,S} -5 H 0 {2,S} - -Ck_Cds-C=SH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 H 0 {2,S} -6 Sd 0 {4,D} - -Ck_Cds-OneDeCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Cs 0 {2,S} - -Ck_Cds-CdCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cs 0 {2,S} -6 C 0 {4,D} - -Ck_Cds-CtCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Ct 0 {2,S} -5 Cs 0 {2,S} - -Ck_Cds-CbCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cb 0 {2,S} -5 Cs 0 {2,S} - -Ck_Cds-COCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 CO 0 {2,S} -5 Cs 0 {2,S} - -Ck_Cds-C=SCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cs 0 {2,S} -6 Sd 0 {4,D} - -Ck_Cds-TwoDe -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -Ck_Cds-CdCd -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cd 0 {2,S} {7,D} -6 C 0 {4,D} -7 C 0 {5,D} - -Ck_Cds-CdCt -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Ct 0 {2,S} -6 C 0 {4,D} - -Ck_Cds-CdCb -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cb 0 {2,S} -6 C 0 {4,D} - -Ck_Cds-CdCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 CO 0 {2,S} -6 C 0 {4,D} - -Ck_Cds-CdC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {7,D} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} -7 C 0 {4,D} - -Ck_Cds-CtCt -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Ct 0 {2,S} -5 Ct 0 {2,S} - -Ck_Cds-CtCb -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Ct 0 {2,S} -5 Cb 0 {2,S} - -Ck_Cds-CtCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Ct 0 {2,S} -5 CO 0 {2,S} - -Ck_Cds-CtC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Ct 0 {2,S} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} - -Ck_Cds-CbCb -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cb 0 {2,S} -5 Cb 0 {2,S} - -Ck_Cds-CbCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cb 0 {2,S} -5 CO 0 {2,S} - -Ck_Cds-CbC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cb 0 {2,S} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} - -Ck_Cds-COCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 CO 0 {2,S} -5 CO 0 {2,S} - -Ck_Cds-COC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 CO 0 {2,S} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} - -Ck_Cds-C=SC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cd 0 {2,S} {7,D} -6 Sd 0 {4,D} -7 Sd 0 {5,D} - -Cdd_Cdd -1 *1 Cdd 0 {2,D} {3,D} -2 *2 Cdd 0 {1,D} {4,D} -3 R 0 {1,D} -4 R 0 {2,D} - -Ca_Ca -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cdd 0 {1,D}, {4,D} -3 C 0 {1,D} -4 C 0 {2,D} - -Ck_Ck -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cdd 0 {1,D}, {4,D} -3 Od 0 {1,D} -4 Od 0 {2,D} - -Ca_Ck -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cdd 0 {1,D}, {4,D} -3 C 0 {1,D} -4 Od 0 {2,D} - -Ck_Ca -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cdd 0 {1,D}, {4,D} -3 Od 0 {1,D} -4 C 0 {2,D} - -CO_O -1 *1 CO 0 {2,D} -2 *2 Od 0 {1,D} - -CO/H2_O -1 *1 CO 0 {2,D}, {3,S}, {4,S} -2 *2 Od 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - -CO/H/Nd_O -1 *1 CO 0 {2,D}, {3,S}, {4,S} -2 *2 Od 0 {1,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} - -CO/H/Cs -1 *1 CO 0 {2,D}, {3,S}, {4,S} -2 *2 Od 0 {1,D} -3 H 0 {1,S} -4 Cs 0 {1,S} - -CO/H/De_O -1 *1 CO 0 {2,D}, {3,S}, {4,S} -2 *2 Od 0 {1,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CO/Nd2_O -1 *1 CO 0 {2,D}, {3,S}, {4,S} -2 *2 Od 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -CO/Nd/De_O -1 *1 CO 0 {2,D}, {3,S}, {4,S} -2 *2 Od 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CO/De2_O -1 *1 CO 0 {2,D}, {3,S}, {4,S} -2 *2 Od 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cds_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 R X {1,S} -4 R X {1,S} - -Cds-HH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - -Cds-CsH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cds-CsCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cds-OsH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Os 0 {1,S} -4 H 0 {1,S} - -Cds-OsCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Os 0 {1,S} -4 Cs 0 {1,S} - -Cds-SsH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Ss 0 {1,S} -4 H 0 {1,S} - -Cds-SsCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -Cds-OneDeH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -Cds-CdH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 H 0 {1,S} -5 C 0 {3,D} - -Cds-CtH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Ct 0 {1,S} -4 H 0 {1,S} - -Cds-CbH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cb 0 {1,S} -4 H 0 {1,S} - -Cds-COH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 CO 0 {1,S} -4 H 0 {1,S} - -Cds-C=SH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -Cds-OneDeCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -Cds-CdCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 Cs 0 {1,S} -5 C 0 {3,D} - -Cds-CtCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Ct 0 {1,S} -4 Cs 0 {1,S} - -Cds-CbCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -Cds-COCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -Cds-C=SCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -Cds-TwoDe_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cds-CdCd_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 Cd 0 {1,S} {6,D} -5 C 0 {3,D} -6 C 0 {4,D} - -Cds-CdCt_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 Ct 0 {1,S} -5 C 0 {3,D} - -Cds-CdCb_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 Cb 0 {1,S} -5 C 0 {3,D} - -Cds-CdCO_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 CO 0 {1,S} -5 C 0 {3,D} - -Cds-CdC=S_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {6,D} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} -6 C 0 {3,D} - -Cds-CtCt_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Ct 0 {1,S} -4 Ct 0 {1,S} - -Cds-CtCb_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Ct 0 {1,S} -4 Cb 0 {1,S} - -Cds-CtCO_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Ct 0 {1,S} -4 CO 0 {1,S} - -Cds-CtC=S_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Ct 0 {1,S} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} - -Cds-CbCb_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cb 0 {1,S} -4 Cb 0 {1,S} - -Cds-CbCO_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cb 0 {1,S} -4 CO 0 {1,S} - -Cds-CbC=S_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cb 0 {1,S} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} - -Cds-COCO_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 CO 0 {1,S} -4 CO 0 {1,S} - -Cds-COC=S_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 CO 0 {1,S} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} - -Cds-C=SC=S_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 Cd 0 {1,S} {6,D} -5 Sd 0 {3,D} -6 Sd 0 {4,D} - -Cdd_Sd -1 *1 Cdd 0 {2,D} {3,D} -2 *2 Sd 0 {1,D} -3 R 0 {1,D} - -Cdd-Sd_Sd -1 *1 Cdd 0 {2,D} {3,D} -2 *2 Sd 0 {1,D} -3 Sd 0 {1,D} - -Ct_R -1 *1 Ct 0 {2,T} -2 *2 R 0 {1,T} - -Ct_Ct -1 *1 Ct 0 {2,T} -2 *2 Ct 0 {1,T} - -Ct-H_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 H 0 {2,S} - -Ct-H_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 Cs 0 {2,S} - -Ct-Cs_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 H 0 {2,S} - -Ct-Cs_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 Cs 0 {2,S} - -Ct-H_Ct-De -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -Ct-H_Ct-Cd -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 Cd 0 {2,S} {5,D} -5 C 0 {4,D} - -Ct-H_Ct-Ct -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 Ct 0 {2,S} - -Ct-H_Ct-Cb -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 Cb 0 {2,S} - -Ct-H_Ct-CO -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 CO 0 {2,S} - -Ct-H_Ct-C=S -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 Cd 0 {2,S} {5,D} -5 Sd 0 {4,D} - -Ct-Cs_Ct-De -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -Ct-Cs_Ct-Cd -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 Cd 0 {2,S} {5,D} -5 C 0 {4,D} - -Ct-Cs_Ct-Ct -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 Ct 0 {2,S} - -Ct-Cs_Ct-Cb -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 Cb 0 {2,S} - -Ct-Cs_Ct-CO -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 CO 0 {2,S} - -Ct-Cs_Ct-C=S -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 Cd 0 {2,S} {5,D} -5 Sd 0 {4,D} - -Ct-De_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {2,S} - -Ct-Cd_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 H 0 {2,S} -5 C 0 {3,D} - -Ct-Ct_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 H 0 {2,S} -5 C 0 {3,D} - -Ct-Cb_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cb 0 {1,S} -4 H 0 {2,S} - -Ct-CO_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 CO 0 {1,S} -4 H 0 {2,S} - -Ct-C=S_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 H 0 {2,S} -5 Sd 0 {3,D} - -Ct-De_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {2,S} - -Ct-Cd_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 Cs 0 {2,S} -5 C 0 {3,D} - -Ct-Ct_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 Cs 0 {2,S} -5 C 0 {3,D} - -Ct-Cb_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cb 0 {1,S} -4 Cs 0 {2,S} - -Ct-CO_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 CO 0 {1,S} -4 Cs 0 {2,S} - -Ct-C=S_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 Cs 0 {2,S} -5 Sd 0 {3,D} - -Ct-De_Ct-De -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -Ct-Cd_Ct-Cd -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 Cd 0 {2,S} {6,D} -5 C 0 {3,D} -6 C 0 {4,D} - -Ct-Cd_Ct-Ct -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 Ct 0 {2,S} -5 C 0 {3,D} - -Ct-Ct_Ct-Cd -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Ct 0 {1,S} -4 Cd 0 {2,S} {5,D} -5 C 0 {4,D} - -Ct-Ct_Ct-Ct -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Ct 0 {1,S} -4 Ct 0 {2,S} - -Cdd_Od -1 *1 Cdd 0 {2,D} -2 *2 Od 0 {1,D} - -CO2 -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Od 0 {1,D} -3 Od 0 {1,D} - -Ck_O -1 *1 Cdd 0 {2,D} {3,D} -2 *2 Od 0 {1,D} -3 C 0 {1,D} - -C=S_O -1 *1 Cdd 0 {2,D} {3,D} -2 *2 Od 0 {1,D} -3 S 0 {1,D} - -Od_R -1 *1 Od 0 {2,D} -2 *2 {C,S} 0 {1,D} - -Od_Cd -1 *1 Od 0 {2,D} -2 *2 C 0 {1,D} {3,S} {4,S} -3 R 0 {2,S} -4 R 0 {2,S} - -Od_Cdd -1 *1 Od 0 {2,D} -2 *2 C 0 {1,D} {3,D} -3 R 0 {2,D} - -Od_Cdd-Od -1 *1 Od 0 {2,D} -2 *2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -Od_Cd-CsH -1 *1 Od 0 {2,D} -2 *2 CO 0 {1,D} {3,S} {4,S} -3 Cs 0 {2,S} -4 H 0 {2,S} - -Sd_R -1 *1 Sd 0 {2,D} -2 *2 R 0 {1,D} - -Sd_Cd -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 R 0 {2,S} -4 R 0 {2,S} - -Sd_Cds-HH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 H 0 {2,S} - -Sd_Cds-CsH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cs 0 {2,S} -4 H 0 {2,S} - -Sd_Cds-CsCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cs 0 {2,S} -4 Cs 0 {2,S} - -Sd_Cds-OsH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Os 0 {2,S} -4 H 0 {2,S} - -Sd_Cds-OsCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Os 0 {2,S} -4 Cs 0 {2,S} - -Sd_Cds-OneDeH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 H 0 {2,S} - -Sd_Cds-CdH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 H 0 {2,S} -5 C 0 {3,D} - -Sd_Cds-CtH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Ct 0 {2,S} -4 H 0 {2,S} - -Sd_Cds-CbH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cb 0 {2,S} -4 H 0 {2,S} - -Sd_Cds-COH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 CO 0 {2,S} -4 H 0 {2,S} - -Sd_Cds-C=SH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 H 0 {2,S} -5 Sd 0 {3,D} - -Sd_Cds-OneDeCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 Cs 0 {2,S} - -Sd_Cds-CdCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 Cs 0 {2,S} -5 C 0 {3,D} - -Sd_Cds-CtCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Ct 0 {2,S} -4 Cs 0 {2,S} - -Sd_Cds-CbCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cb 0 {2,S} -4 Cs 0 {2,S} - -Sd_Cds-COCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 CO 0 {2,S} -4 Cs 0 {2,S} - -Sd_Cds-C=SCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 Cs 0 {2,S} -5 Sd 0 {3,D} - -Sd_Cds-TwoDe -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -Sd_Cds-CdCd -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 Cd 0 {2,S} {6,D} -5 C 0 {3,D} -6 C 0 {4,D} - -Sd_Cds-CdCt -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 Ct 0 {2,S} -5 C 0 {3,D} - -Sd_Cds-CdCb -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 Cb 0 {2,S} -5 C 0 {3,D} - -Sd_Cds-CdCO -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 CO 0 {2,S} -5 C 0 {3,D} - -Sd_Cds-CdC=S -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {6,D} -4 Cd 0 {2,S} {5,D} -5 Sd 0 {4,D} -6 C 0 {3,D} - -Sd_Cds-CtCt -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Ct 0 {2,S} -4 Ct 0 {2,S} - -Sd_Cds-CtCb -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Ct 0 {2,S} -4 Cb 0 {2,S} - -Sd_Cds-CtCO -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Ct 0 {2,S} -4 CO 0 {2,S} - -Sd_Cds-CtC=S -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Ct 0 {2,S} -4 Cd 0 {2,S} {5,D} -5 Sd 0 {4,D} - -Sd_Cds-CbCb -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cb 0 {2,S} -4 Cb 0 {2,S} - -Sd_Cds-CbCO -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cb 0 {2,S} -4 CO 0 {2,S} - -Sd_Cds-CbC=S -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cb 0 {2,S} -4 Cd 0 {2,S} {5,D} -5 Sd 0 {4,D} - -Sd_Cds-COCO -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 CO 0 {2,S} -4 CO 0 {2,S} - -Sd_Cds-COC=S -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 CO 0 {2,S} -4 Cd 0 {2,S} {5,D} -5 Sd 0 {4,D} - -Sd_Cds-C=SC=S -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 Cd 0 {2,S} {6,D} -5 Sd 0 {3,D} -6 Sd 0 {4,D} - -Sd_Cdd -1 *1 Sd 0 {2,D} -2 *2 Cdd 0 {1,D} {3,D} -3 R 0 {2,D} - -Sd_Cdd-Sd -1 *1 Sd 0 {2,D} -2 *2 Cdd 0 {1,D} {3,D} -3 Sd 0 {2,D} - -// -// Radical tree -// - -YJ -union {HJ, CJ, O_rad, SJ, Y_1centerbirad} - -HJ -1 *3 H 1 - -CJ -1 *3 C 1 - -CsJ -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-HHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-OsOsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 H 0 {1,S} - -CsJ-OsOsOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} - -CsJ-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-OsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-OsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OsOsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsSsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {H,Cs,Os,Ss} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-OneDeHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CtHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CbHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-COHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-C=SHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 Sd 0 {2,D} - -CsJ-OneDeCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CtCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CbCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-COCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-C=SCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Sd 0 {2,D} - -CsJ-OneDeCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CtCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-COCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-C=SCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Sd 0 {2,D} - -CsJ-OneDeOsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 H 0 {1,S} - -CsJ-OneDeSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-OneDeOsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OneDeOsOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} - -CsJ-OneDeOsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Ss 0 {1,S} - -CsJ-OneDeSsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OneDeSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-TwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-TwoDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -CsJ-CdCtH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 CO 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 C 0 {2,D} -6 Sd 0 {3,D} - -CsJ-CtCtH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ct 0 {1,S} -4 H 0 {1,S} - -CsJ-CtCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cb 0 {1,S} -4 H 0 {1,S} - -CsJ-CtCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-CtC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -CsJ-CbCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cb 0 {1,S} -4 H 0 {1,S} - -CsJ-CbCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-CbC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -CsJ-COCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-COC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -CsJ-C=SC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 Sd 0 {2,D} -6 Sd 0 {3,D} - -CsJ-TwoDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -CsJ-CdCtCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 CO 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 C 0 {2,D} -6 Sd 0 {3,D} - -CsJ-CtCtCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -CsJ-CbCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -CsJ-COCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-COC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -CsJ-C=SC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 Sd 0 {2,D} -6 Sd 0 {3,D} - -CsJ-TwoDeOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Os 0 {1,S} - -CsJ-TwoDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-ThreeDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} {4,S} {5,S} -3 R 0 {1,S} -4 R 0 {2,S} -5 R 0 {2,S} - -CdsJ-H -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 R 0 {2,S} -5 R 0 {2,S} - -CdsJ-Cs -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} {4,S} {5,S} -3 Cs 0 {1,S} -4 R 0 {2,S} -5 R 0 {2,S} - -CdsJ-Cd -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} -5 R 0 {2,S} -6 R 0 {2,S} - -CdsJ-Ct -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} {4,S} {5,S} -3 Ct 0 {1,S} -4 R 0 {2,S} -5 R 0 {2,S} - -CdsJ-Cb -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} {4,S} {5,S} -3 Cb 0 {1,S} -4 R 0 {2,S} -5 R 0 {2,S} - -CdsJ-CO -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} {4,S} {5,S} -3 CO 0 {1,S} -4 R 0 {2,S} -5 R 0 {2,S} - -CdsJ-C=S -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S}, {4,D} -4 Sd 0 {3,D} -5 R 0 {2,S} -6 R 0 {2,S} - -CdsJ-Os -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} {4,S} {5,S} -3 Os 0 {1,S} -4 R 0 {2,S} -5 R 0 {2,S} - -CdsJ-Ss -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} {4,S} {5,S} -3 Ss 0 {1,S} -4 R 0 {2,S} -5 R 0 {2,S} - -CdsJ=Cdd -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} {4,D} -3 R 0 {1,S} -4 R 0 {2,D} - -CtJ -1 *3 Ct 1 {2,T} -2 C 0 {1,T} - -CbJ -1 *3 Cb 1 - -C=SJ -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 R 0 {1,S} - -C=SJ-H -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 H 0 {1,S} - -C=SJ-Cs -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cs 0 {1,S} - -C=SJ-Cd -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -C=SJ-Ct -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Ct 0 {1,S} - -C=SJ-Cb -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cb 0 {1,S} - -C=SJ-CO -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 CO 0 {1,S} - -C=SJ-C=S -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 Sd 0 {3,D} - -C=SJ-Os -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Os 0 {1,S} - -C=SJ-Ss -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Ss 0 {1,S} - -CO_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 R 0 {1,S} - -CO_pri_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 H 0 {1,S} - -CO_sec_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {R!H} 0 {1,S} - -CO_rad/NonDe -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cs,O} 0 {1,S} - -C2b -1 *3 C 1 {2,T} -2 C 1 {1,T} - -CO_rad/OneDe -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -O_rad -Union {O_pri_rad, O_sec_rad, O2b} - -O_pri_rad -1 *3 O 1 {2,S} -2 H 0 {1,S} - -O_sec_rad -1 *3 O 1 {2,S} -2 {R!H} 0 {1,S} - -O_rad/NonDe -1 *3 O 1 {2,S} -2 {Cs,Os,Ss} 0 {1,S} - -O_rad/NonDeC -1 *3 O 1 {2,S} -2 Cs 0 {1,S} - -O_rad/NonDeO -1 *3 O 1 {2,S} -2 O 0 {1,S} - -O_rad/OneDe -1 *3 O 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -O2b -1 *3 O 1 {2,S} -2 O 1 {1,S} - -Y_1centerbirad -1 *3 {Cs,Cd,O,S} 2 - -//CO_birad -//1 *3 C 2T {2,D} -//2 O 0 {1,D} - -O_atom_triplet -1 *3 O 2 - -SJJ -1 *3 S 2T - -CH2_triplet -1 *3 C 2 {2,S}, {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -SJ -1 *3 Ss 1 {2,S} -2 R 0 {1,S} - -SsJ -1 *3 Ss 1 {2,S} -2 R 0 {1,S} - -SsJ-H -1 *3 Ss 1 {2,S} -2 H 0 {1,S} - -SsJ-Cs -1 *3 Ss 1 {2,S} -2 Cs 0 {1,S} - -SsJ-Ss -1 *3 Ss 1 {2,S} -2 Ss 0 {1,S} - -SsJ-OneDe -1 *3 Ss 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-Cd -1 *3 Ss 1 {2,S} -2 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -SsJ-Ct -1 *3 Ss 1 {2,S} -2 Ct 0 {1,S} - -SsJ-Cb -1 *3 Ss 1 {2,S} -2 Cb 0 {1,S} - -SsJ-CO -1 *3 Ss 1 {2,S} -2 CO 0 {1,S} - -SsJ-C=S -1 *3 Ss 1 {2,S} -2 Cd 0 {1,S}, {3,D} -3 Sd 0 {2,D} - diff --git a/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/dictionary.txt.orig b/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/dictionary.txt.orig deleted file mode 100644 index e8cc6e6e42..0000000000 --- a/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/dictionary.txt.orig +++ /dev/null @@ -1,8133 +0,0 @@ -//dictionary: f02 radical addition to multiple bond except benzene bond -//SR, Jan. 30, 2003 -// CDW : since having both Cd/H/H and Cd/H2, Cd/Nd/Nd and Cd/Nd2, Cd/De/De and Cd/De2 at the same time -// are confusing, made them uniform as Cd/H2, Cd/Nd2, and Cd/De2. 03/25/03 -//Sandeep included Y_birad in Y_rad. This enables Oa to react with multiple bond - -R_R -Union {Cd_R,Ct_R,O2d,OCO,OCddO,Sd_R} - -Cd_R -1 *1 C 0 {2,D} -2 *2 R 0 {1,D} - -Cds_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 R 0 {1,S} -4 R 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-HH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-HH_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-HH_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-HH_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-HH_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-HH_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-HH_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-HH_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-HH_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-HH_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-HH_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-HH_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-HH_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-HH_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-HH_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-HH_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-HH_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-HH_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-HH_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-HH_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-HH_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-HH_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-HH_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-HH_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-HH_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-HH_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-HH_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-HH_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-HH_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-HH_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-HH_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-HH_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-HH_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-HH_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-HH_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-HH_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-HH_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-HH_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-CsH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CsH_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-CsH_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CsH_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CsH_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CsH_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CsH_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CsH_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CsH_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CsH_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CsH_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CsH_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsH_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsH_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsH_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsH_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsH_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsH_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsH_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsH_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsH_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsH_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsH_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsH_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsH_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsH_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsH_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsH_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsH_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsH_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CsH_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CsH_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CsH_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CsH_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CsH_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsH_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsH_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsH_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-CsCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CsCs_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-CsCs_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CsCs_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CsCs_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CsCs_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CsCs_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CsCs_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CsCs_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CsCs_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CsCs_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CsCs_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsCs_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsCs_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsCs_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsCs_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsCs_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsCs_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsCs_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsCs_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsCs_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsCs_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsCs_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsCs_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsCs_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsCs_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsCs_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsCs_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsCs_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsCs_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CsCs_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CsCs_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CsCs_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CsCs_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CsCs_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsCs_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsCs_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsCs_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-SsH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ss 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-SsCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-SsSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-OsH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Os 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-OsCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-OsOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Os 0 {1,S} -4 Os 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-OsSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Os 0 {1,S} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-OneDe_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 R 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-OneDeH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CdH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdH_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdH_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdH_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdH_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {5,D} -9 C 0 {6,D} - -Cds-CdH_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdH_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdH_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdH_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 Cd 0 {2,S} {9,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {5,D} - -Cds-CdH_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {9,D} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} -9 C 0 {3,D} - -Cds-CtH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CtH_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-CtH_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CtH_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtH_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CtH_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtH_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CtH_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CtH_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtH_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CtH_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CtH_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtH_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtH_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtH_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtH_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtH_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtH_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtH_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtH_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtH_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtH_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtH_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtH_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtH_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtH_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtH_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtH_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtH_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtH_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CtH_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CtH_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CtH_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CtH_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CtH_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtH_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtH_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtH_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-CbH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CbH_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-CbH_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CbH_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CbH_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CbH_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CbH_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CbH_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CbH_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CbH_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CbH_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CbH_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbH_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbH_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbH_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbH_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbH_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbH_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbH_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbH_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbH_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbH_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbH_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbH_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbH_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbH_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbH_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbH_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbH_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbH_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CbH_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CbH_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CbH_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CbH_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CbH_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbH_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbH_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbH_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-COH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 CO 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-C=SH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Cd 0 {1,S} {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-OneDeCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CdCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCs_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCs_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCs_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCs_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {5,D} -9 C 0 {6,D} - -Cds-CdCs_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdCs_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdCs_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdCs_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {9,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {5,D} - -Cds-CdCs_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {9,D} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} -9 C 0 {3,D} - -Cds-CtCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CtCs_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-CtCs_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CtCs_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtCs_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CtCs_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtCs_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CtCs_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CtCs_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtCs_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CtCs_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CtCs_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCs_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCs_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCs_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCs_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCs_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCs_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCs_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCs_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCs_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCs_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCs_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCs_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCs_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCs_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCs_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCs_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCs_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCs_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CtCs_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CtCs_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CtCs_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CtCs_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CtCs_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCs_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCs_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCs_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-CbCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CbCs_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-CbCs_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CbCs_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CbCs_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CbCs_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CbCs_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CbCs_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CbCs_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CbCs_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CbCs_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CbCs_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbCs_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbCs_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbCs_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbCs_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbCs_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbCs_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbCs_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbCs_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbCs_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbCs_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbCs_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbCs_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbCs_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbCs_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbCs_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbCs_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbCs_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbCs_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CbCs_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CbCs_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CbCs_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CbCs_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CbCs_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbCs_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbCs_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbCs_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-COCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-C=SCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Cd 0 {1,S} {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-OneDeSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CdSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CtSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CbSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-COSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 CO 0 {1,S} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-C=SSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Cd 0 {1,S} {5,D} -4 Ss 0 {1,S} -5 Sd 0 {3,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-OneDeOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Os 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CdOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Os 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CtOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Os 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CbOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Os 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-COOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 CO 0 {1,S} -4 Os 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-C=SOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Cd 0 {1,S} {5,D} -4 Os 0 {1,S} -5 Sd 0 {3,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-TwoDe_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CdCd_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 H 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 Ss 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 H 0 {2,S} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {6,D} - -Cds-CdCd_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 H 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 H 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 H 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {6,D} - -Cds-CdCd_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {6,D} - -Cds-CdCd_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {6,D} - -Cds-CdCd_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cd 0 {2,S} {9,D} -6 Cd 0 {2,S} {10,D} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {5,D} -10 C 0 {6,D} - -Cds-CdCd_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cd 0 {2,S} {9,D} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {5,D} - -Cds-CdCd_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cd 0 {2,S} {9,D} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {5,D} - -Cds-CdCd_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cd 0 {2,S} {9,D} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {5,D} - -Cds-CdCd_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 Cd 0 {2,S} {10,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} -10 C 0 {5,D} - -Cds-CdCd_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ct 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ct 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ct 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cb 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cb 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 CO 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {9,D} -4 Cd 0 {1,S} {10,D} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} -9 C 0 {3,D} -10 C 0 {4,D} - -Cds-CdCt_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCt_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCt_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCt_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCt_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {5,D} -9 C 0 {6,D} - -Cds-CdCt_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdCt_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdCt_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdCt_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {9,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {5,D} - -Cds-CdCt_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {9,D} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} -9 C 0 {3,D} - -Cds-CdCb_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cb 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CdCO_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 CO 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CdC=S_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} -6 R 0 {2,S} -7 R 0 {2,S} -8 C 0 {3,D} - -Cds-CtCt_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CtCt_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-CtCt_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CtCt_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtCt_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CtCt_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtCt_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CtCt_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CtCt_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtCt_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CtCt_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CtCt_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCt_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCt_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCt_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCt_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCt_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCt_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCt_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCt_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCt_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCt_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCt_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCt_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCt_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCt_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCt_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCt_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCt_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCt_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CtCt_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CtCt_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CtCt_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CtCt_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CtCt_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCt_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCt_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCt_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-CtCb_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cb 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CtCO_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 CO 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CtC=S_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Ct 0 {1,S} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-CbCb_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cb 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CbCO_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 CO 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CbC=S_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Cb 0 {1,S} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-COCO_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 CO 0 {1,S} -4 CO 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-COC=S_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 CO 0 {1,S} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-C=SC=S_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {7,S} {8,S} -3 Cd 0 {1,S} {5,D} -4 Cd 0 {1,S} {6,D} -5 Sd 0 {3,D} -6 Sd 0 {4,D} -7 R 0 {2,S} -8 R 0 {2,S} - -Cds_Cdd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D} -3 R 0 {1,S} -4 R 0 {1,S} - -Cds_Ca -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 R 0 {1,S} -4 R 0 {1,S} -5 C 0 {2,D} - -Cds-HH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -Cds-CsH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -Cds-CsCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -Cds-OneDeH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 C 0 {2,D} - -Cds-CdH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 C 0 {4,D} - -Cds-CtH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 Ct 0 {1,S} -5 C 0 {2,D} - -Cds-CbH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 Cb 0 {1,S} -5 C 0 {2,D} - -Cds-COH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 CO 0 {1,S} -5 C 0 {2,D} - -Cds-C=SH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 Sd 0 {4,D} - -Cds-OneDeCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 C 0 {2,D} - -Cds-CdCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 C 0 {4,D} - -Cds-CtCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 Ct 0 {1,S} -5 C 0 {2,D} - -Cds-CbCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 Cb 0 {1,S} -5 C 0 {2,D} - -Cds-COCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 CO 0 {1,S} -5 C 0 {2,D} - -Cds-C=SCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 Sd 0 {4,D} - -Cds-TwoDe_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 C 0 {2,D} - -Cds-CdCd_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cd 0 {1,S} {6,D} -4 Cd 0 {1,S} {7,D} -5 C 0 {2,D} -6 C 0 {3,D} -7 C 0 {4,D} - -Cds-CdCt_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cd 0 {1,S} {6,D} -4 Ct 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -Cds-CdCb_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cd 0 {1,S} {6,D} -4 Cb 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -Cds-CdCO_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cd 0 {1,S} {6,D} -4 CO 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -Cds-CdC=S_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 Sd 0 {4,D} -7 C 0 {3,D} - -Cds-CtCt_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 C 0 {2,D} - -Cds-CtCb_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Ct 0 {1,S} -4 Cb 0 {1,S} -5 C 0 {2,D} - -Cds-CtCO_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Ct 0 {1,S} -4 CO 0 {1,S} -5 C 0 {2,D} - -Cds-CtC=S_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Ct 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 Sd 0 {4,D} - -Cds-CbCb_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cb 0 {1,S} -4 Cb 0 {1,S} -5 C 0 {2,D} - -Cds-CbCO_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cb 0 {1,S} -4 CO 0 {1,S} -5 C 0 {2,D} - -Cds-CbC=S_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cb 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 Sd 0 {4,D} - -Cds-COCO_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 CO 0 {1,S} -4 CO 0 {1,S} -5 C 0 {2,D} - -Cds-COC=S_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 CO 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 Sd 0 {4,D} - -Cds-C=SC=S_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cd 0 {1,S} {6,D} -4 Cd 0 {1,S} {7,D} -5 C 0 {2,D} -6 Sd 0 {3,D} -7 Sd 0 {4,D} - -Cds_Ck -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 R 0 {1,S} -4 R 0 {1,S} -5 Od 0 {2,D} - -Cds-HH_Ck -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 Od 0 {2,D} - -Cds-CsH_Ck -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 Cs 0 {1,S} -5 Od 0 {2,D} - -Cds-OneDeH_Ck -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -Cds-CsCs_Ck -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Od 0 {2,D} - -Cds-OneDeCs_Ck -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -Cds-TwoDe_Ck -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -Cdd_Cds -1 *1 Cdd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 R 0 {2,S} -4 R 0 {2,S} - -Ca_Cds -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 R 0 {2,S} -5 R 0 {2,S} - -Ca_Cds-HH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 H 0 {2,S} -5 H 0 {2,S} - -Ca_Cds-CsH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cs 0 {2,S} -5 H 0 {2,S} - -Ca_Cds-CsCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cs 0 {2,S} -5 Cs 0 {2,S} - -Ca_Cds-OneDeH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 H 0 {2,S} - -Ca_Cds-CdH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 H 0 {2,S} -6 C 0 {4,D} - -Ca_Cds-CtH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Ct 0 {2,S} -5 H 0 {2,S} - -Ca_Cds-CbH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cb 0 {2,S} -5 H 0 {2,S} - -Ca_Cds-COH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 CO 0 {2,S} -5 H 0 {2,S} - -Ca_Cds-C=SH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 H 0 {2,S} -6 Sd 0 {4,D} - -Ca_Cds-OneDeCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Cs 0 {2,S} - -Ca_Cds-CdCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cs 0 {2,S} -6 C 0 {4,D} - -Ca_Cds-CtCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Ct 0 {2,S} -5 Cs 0 {2,S} - -Ca_Cds-CbCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cb 0 {2,S} -5 Cs 0 {2,S} - -Ca_Cds-COCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 CO 0 {2,S} -5 Cs 0 {2,S} - -Ca_Cds-C=SCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cs 0 {2,S} -6 Sd 0 {4,D} - -Ca_Cds-TwoDe -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -Ca_Cds-CdCd -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cd 0 {2,S} {7,D} -6 C 0 {4,D} -7 C 0 {5,D} - -Ca_Cds-CdCt -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Ct 0 {2,S} -6 C 0 {4,D} - -Ca_Cds-CdCb -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cb 0 {2,S} -6 C 0 {4,D} - -Ca_Cds-CdCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 CO 0 {2,S} -6 C 0 {4,D} - -Ca_Cds-CdC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {7,D} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} -7 C 0 {4,D} - -Ca_Cds-CtCt -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Ct 0 {2,S} -5 Ct 0 {2,S} - -Ca_Cds-CtCb -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Ct 0 {2,S} -5 Cb 0 {2,S} - -Ca_Cds-CtCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Ct 0 {2,S} -5 CO 0 {2,S} - -Ca_Cds-CtC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Ct 0 {2,S} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} - -Ca_Cds-CbCb -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cb 0 {2,S} -5 Cb 0 {2,S} - -Ca_Cds-CbCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cb 0 {2,S} -5 CO 0 {2,S} - -Ca_Cds-CbC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cb 0 {2,S} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} - -Ca_Cds-COCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 CO 0 {2,S} -5 CO 0 {2,S} - -Ca_Cds-COC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 CO 0 {2,S} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} - -Ca_Cds-C=SC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cd 0 {2,S} {7,D} -6 Sd 0 {4,D} -7 Sd 0 {5,D} - -Ck_Cds -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 R 0 {2,S} -5 R 0 {2,S} - -Ck_Cds-HH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 H 0 {2,S} -5 H 0 {2,S} - -Ck_Cds-CsH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cs 0 {2,S} -5 H 0 {2,S} - -Ck_Cds-CsCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cs 0 {2,S} -5 Cs 0 {2,S} - -Ck_Cds-OneDeH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 H 0 {2,S} - -Ck_Cds-CdH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 H 0 {2,S} -6 C 0 {4,D} - -Ck_Cds-CtH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Ct 0 {2,S} -5 H 0 {2,S} - -Ck_Cds-CbH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cb 0 {2,S} -5 H 0 {2,S} - -Ck_Cds-COH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 CO 0 {2,S} -5 H 0 {2,S} - -Ck_Cds-C=SH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 H 0 {2,S} -6 Sd 0 {4,D} - -Ck_Cds-OneDeCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Cs 0 {2,S} - -Ck_Cds-CdCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cs 0 {2,S} -6 C 0 {4,D} - -Ck_Cds-CtCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Ct 0 {2,S} -5 Cs 0 {2,S} - -Ck_Cds-CbCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cb 0 {2,S} -5 Cs 0 {2,S} - -Ck_Cds-COCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 CO 0 {2,S} -5 Cs 0 {2,S} - -Ck_Cds-C=SCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cs 0 {2,S} -6 Sd 0 {4,D} - -Ck_Cds-TwoDe -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -Ck_Cds-CdCd -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cd 0 {2,S} {7,D} -6 C 0 {4,D} -7 C 0 {5,D} - -Ck_Cds-CdCt -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Ct 0 {2,S} -6 C 0 {4,D} - -Ck_Cds-CdCb -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cb 0 {2,S} -6 C 0 {4,D} - -Ck_Cds-CdCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 CO 0 {2,S} -6 C 0 {4,D} - -Ck_Cds-CdC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {7,D} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} -7 C 0 {4,D} - -Ck_Cds-CtCt -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Ct 0 {2,S} -5 Ct 0 {2,S} - -Ck_Cds-CtCb -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Ct 0 {2,S} -5 Cb 0 {2,S} - -Ck_Cds-CtCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Ct 0 {2,S} -5 CO 0 {2,S} - -Ck_Cds-CtC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Ct 0 {2,S} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} - -Ck_Cds-CbCb -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cb 0 {2,S} -5 Cb 0 {2,S} - -Ck_Cds-CbCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cb 0 {2,S} -5 CO 0 {2,S} - -Ck_Cds-CbC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cb 0 {2,S} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} - -Ck_Cds-COCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 CO 0 {2,S} -5 CO 0 {2,S} - -Ck_Cds-COC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 CO 0 {2,S} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} - -Ck_Cds-C=SC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cd 0 {2,S} {7,D} -6 Sd 0 {4,D} -7 Sd 0 {5,D} - -Cdd_Cdd -1 *1 Cdd 0 {2,D} {3,D} -2 *2 Cdd 0 {1,D} {4,D} -3 R 0 {1,D} -4 R 0 {2,D} - -Ca_Ca -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cdd 0 {1,D}, {4,D} -3 C 0 {1,D} -4 C 0 {2,D} - -Ck_Ck -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cdd 0 {1,D}, {4,D} -3 Od 0 {1,D} -4 Od 0 {2,D} - -Ca_Ck -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cdd 0 {1,D}, {4,D} -3 C 0 {1,D} -4 Od 0 {2,D} - -Ck_Ca -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cdd 0 {1,D}, {4,D} -3 Od 0 {1,D} -4 C 0 {2,D} - -CO_O -1 *1 CO 0 {2,D} -2 *2 Od 0 {1,D} - -CO/H2_O -1 *1 CO 0 {2,D}, {3,S}, {4,S} -2 *2 Od 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - -CO/H/Nd_O -1 *1 CO 0 {2,D}, {3,S}, {4,S} -2 *2 Od 0 {1,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} - -CO/H/De_O -1 *1 CO 0 {2,D}, {3,S}, {4,S} -2 *2 Od 0 {1,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CO/Nd2_O -1 *1 CO 0 {2,D}, {3,S}, {4,S} -2 *2 Od 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -CO/Nd/De_O -1 *1 CO 0 {2,D}, {3,S}, {4,S} -2 *2 Od 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CO/De2_O -1 *1 CO 0 {2,D}, {3,S}, {4,S} -2 *2 Od 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cds_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 R 0 {1,S} -4 R 0 {1,S} - -Cds-HH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - -Cds-CsH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cds-CsCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cds-OneDeH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -Cds-CdH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 H 0 {1,S} -5 C 0 {3,D} - -Cds-CtH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Ct 0 {1,S} -4 H 0 {1,S} - -Cds-CbH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cb 0 {1,S} -4 H 0 {1,S} - -Cds-COH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 CO 0 {1,S} -4 H 0 {1,S} - -Cds-C=SH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -Cds-OneDeCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -Cds-CdCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 Cs 0 {1,S} -5 C 0 {3,D} - -Cds-CtCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Ct 0 {1,S} -4 Cs 0 {1,S} - -Cds-CbCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -Cds-COCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -Cds-C=SCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -Cds-TwoDe_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cds-CdCd_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 Cd 0 {1,S} {6,D} -5 C 0 {3,D} -6 C 0 {4,D} - -Cds-CdCt_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 Ct 0 {1,S} -5 C 0 {3,D} - -Cds-CdCb_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 Cb 0 {1,S} -5 C 0 {3,D} - -Cds-CdCO_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 CO 0 {1,S} -5 C 0 {3,D} - -Cds-CdC=S_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {6,D} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} -6 C 0 {3,D} - -Cds-CtCt_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Ct 0 {1,S} -4 Ct 0 {1,S} - -Cds-CtCb_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Ct 0 {1,S} -4 Cb 0 {1,S} - -Cds-CtCO_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Ct 0 {1,S} -4 CO 0 {1,S} - -Cds-CtC=S_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Ct 0 {1,S} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} - -Cds-CbCb_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cb 0 {1,S} -4 Cb 0 {1,S} - -Cds-CbCO_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cb 0 {1,S} -4 CO 0 {1,S} - -Cds-CbC=S_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cb 0 {1,S} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} - -Cds-COCO_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 CO 0 {1,S} -4 CO 0 {1,S} - -Cds-COC=S_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 CO 0 {1,S} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} - -Cds-C=SC=S_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 Cd 0 {1,S} {6,D} -5 Sd 0 {3,D} -6 Sd 0 {4,D} - -Cdd_Sd -1 *1 Cdd 0 {2,D} {3,D} -2 *2 Sd 0 {1,D} -3 R 0 {1,D} - -Cdd-Sd_Sd -1 *1 Cdd 0 {2,D} {3,D} -2 *2 Sd 0 {1,D} -3 Sd 0 {1,D} - -<<<<<<< HEAD -======= -Cb_R -1 *1 Cb 0 {2,B} -2 *2 R 0 {1,B} - ->>>>>>> 6ec57c71a65dc848d3668e1f1d45e26d39f8f8a8 -Ct_R -1 *1 Ct 0 {2,T} -2 *2 R 0 {1,T} - -Ct_Ct -1 *1 Ct 0 {2,T} -2 *2 Ct 0 {1,T} - -Ct-H_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 H 0 {2,S} - -Ct-H_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 Cs 0 {2,S} - -Ct-Cs_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 H 0 {2,S} - -Ct-Cs_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 Cs 0 {2,S} - -Ct-H_Ct-De -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -Ct-H_Ct-Cd -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 Cd 0 {2,S} {5,D} -5 C 0 {4,D} - -Ct-H_Ct-Ct -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 Ct 0 {2,S} - -Ct-H_Ct-Cb -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 Cb 0 {2,S} - -Ct-H_Ct-CO -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 CO 0 {2,S} - -Ct-H_Ct-C=S -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 Cd 0 {2,S} {5,D} -5 Sd 0 {4,D} - -Ct-Cs_Ct-De -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -Ct-Cs_Ct-Cd -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 Cd 0 {2,S} {5,D} -5 C 0 {4,D} - -Ct-Cs_Ct-Ct -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 Ct 0 {2,S} - -Ct-Cs_Ct-Cb -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 Cb 0 {2,S} - -Ct-Cs_Ct-CO -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 CO 0 {2,S} - -Ct-Cs_Ct-C=S -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 Cd 0 {2,S} {5,D} -5 Sd 0 {4,D} - -Ct-De_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {2,S} - -Ct-Cd_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 H 0 {2,S} -5 C 0 {3,D} - -Ct-Ct_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 H 0 {2,S} -5 C 0 {3,D} - -Ct-Cb_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cb 0 {1,S} -4 H 0 {2,S} - -Ct-CO_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 CO 0 {1,S} -4 H 0 {2,S} - -Ct-C=S_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 H 0 {2,S} -5 Sd 0 {3,D} - -Ct-De_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {2,S} - -Ct-Cd_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 Cs 0 {2,S} -5 C 0 {3,D} - -Ct-Ct_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 Cs 0 {2,S} -5 C 0 {3,D} - -Ct-Cb_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cb 0 {1,S} -4 Cs 0 {2,S} - -Ct-CO_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 CO 0 {1,S} -4 Cs 0 {2,S} - -Ct-C=S_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 Cs 0 {2,S} -5 Sd 0 {3,D} - -Ct-De_Ct-De -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -Ct-Cd_Ct-Cd -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 Cd 0 {2,S} {6,D} -5 C 0 {3,D} -6 C 0 {4,D} - -Ct-Cd_Ct-Ct -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 Ct 0 {2,S} -5 C 0 {3,D} - -Ct-Ct_Ct-Cd -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Ct 0 {1,S} -4 Cd 0 {2,S} {5,D} -5 C 0 {4,D} - -Ct-Ct_Ct-Ct -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Ct 0 {1,S} -4 Ct 0 {2,S} - -Cdd_Od -1 *1 Cdd 0 {2,D} -2 *2 Od 0 {1,D} - -CO2 -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Od 0 {1,D} -3 Od 0 {1,D} - -Ck_O -1 *1 Cdd 0 {2,D} {3,D} -2 *2 Od 0 {1,D} -3 C 0 {1,D} - -O2d -1 *1 Od 0 {2,D} -2 *2 Od 0 {1,D} - -OCddO -1 *1 Od 0 {2,D} -2 *2 Cdd 0 {1,D} {3,D} -3 Od 0 {2,D} - -OCO -1 *1 Od 0 {2,D} -2 *2 CO 0 {1,D} - -Sd_R -1 *1 Sd 0 {2,D} -2 *2 R 0 {1,D} - -Sd_Cd -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 R 0 {2,S} -4 R 0 {2,S} - -Sd_Cds-HH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 H 0 {2,S} - -Sd_Cds-CsH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cs 0 {2,S} -4 H 0 {2,S} - -Sd_Cds-CsCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cs 0 {2,S} -4 Cs 0 {2,S} - -Sd_Cds-OneDeH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 H 0 {2,S} - -Sd_Cds-CdH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 H 0 {2,S} -5 C 0 {3,D} - -Sd_Cds-CtH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Ct 0 {2,S} -4 H 0 {2,S} - -Sd_Cds-CbH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cb 0 {2,S} -4 H 0 {2,S} - -Sd_Cds-COH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 CO 0 {2,S} -4 H 0 {2,S} - -Sd_Cds-C=SH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 H 0 {2,S} -5 Sd 0 {3,D} - -Sd_Cds-OneDeCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 Cs 0 {2,S} - -Sd_Cds-CdCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 Cs 0 {2,S} -5 C 0 {3,D} - -Sd_Cds-CtCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Ct 0 {2,S} -4 Cs 0 {2,S} - -Sd_Cds-CbCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cb 0 {2,S} -4 Cs 0 {2,S} - -Sd_Cds-COCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 CO 0 {2,S} -4 Cs 0 {2,S} - -Sd_Cds-C=SCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 Cs 0 {2,S} -5 Sd 0 {3,D} - -Sd_Cds-TwoDe -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -Sd_Cds-CdCd -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 Cd 0 {2,S} {6,D} -5 C 0 {3,D} -6 C 0 {4,D} - -Sd_Cds-CdCt -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 Ct 0 {2,S} -5 C 0 {3,D} - -Sd_Cds-CdCb -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 Cb 0 {2,S} -5 C 0 {3,D} - -Sd_Cds-CdCO -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 CO 0 {2,S} -5 C 0 {3,D} - -Sd_Cds-CdC=S -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {6,D} -4 Cd 0 {2,S} {5,D} -5 Sd 0 {4,D} -6 C 0 {3,D} - -Sd_Cds-CtCt -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Ct 0 {2,S} -4 Ct 0 {2,S} - -Sd_Cds-CtCb -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Ct 0 {2,S} -4 Cb 0 {2,S} - -Sd_Cds-CtCO -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Ct 0 {2,S} -4 CO 0 {2,S} - -Sd_Cds-CtC=S -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Ct 0 {2,S} -4 Cd 0 {2,S} {5,D} -5 Sd 0 {4,D} - -Sd_Cds-CbCb -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cb 0 {2,S} -4 Cb 0 {2,S} - -Sd_Cds-CbCO -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cb 0 {2,S} -4 CO 0 {2,S} - -Sd_Cds-CbC=S -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cb 0 {2,S} -4 Cd 0 {2,S} {5,D} -5 Sd 0 {4,D} - -Sd_Cds-COCO -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 CO 0 {2,S} -4 CO 0 {2,S} - -Sd_Cds-COC=S -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 CO 0 {2,S} -4 Cd 0 {2,S} {5,D} -5 Sd 0 {4,D} - -Sd_Cds-C=SC=S -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 Cd 0 {2,S} {6,D} -5 Sd 0 {3,D} -6 Sd 0 {4,D} - -Sd_Cdd -1 *1 Sd 0 {2,D} -2 *2 Cdd 0 {1,D} {3,D} -3 R 0 {2,D} - -Sd_Cdd-Sd -1 *1 Sd 0 {2,D} -2 *2 Cdd 0 {1,D} {3,D} -3 Sd 0 {2,D} - -// -// Radical tree -// - -YJ -union {HJ, CJ, O_rad, SJ, Y_1centerbirad} - -HJ -1 *3 H 1 - -CJ -1 *3 C 1 - -CsJ -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-HHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-OsOsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 H 0 {1,S} - -CsJ-OsOsOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} - -CsJ-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-OsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-OsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OsOsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsSsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {H,Cs,Os,Ss} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-OneDeHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CtHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CbHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-COHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-C=SHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 Sd 0 {2,D} - -CsJ-OneDeCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CtCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CbCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-COCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-C=SCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Sd 0 {2,D} - -CsJ-OneDeCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CtCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-COCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-C=SCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Sd 0 {2,D} - -CsJ-OneDeOsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 H 0 {1,S} - -CsJ-OneDeSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-OneDeOsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OneDeOsOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} - -CsJ-OneDeOsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Ss 0 {1,S} - -CsJ-OneDeSsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OneDeSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-TwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-TwoDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -CsJ-CdCtH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 CO 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 C 0 {2,D} -6 Sd 0 {3,D} - -CsJ-CtCtH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ct 0 {1,S} -4 H 0 {1,S} - -CsJ-CtCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cb 0 {1,S} -4 H 0 {1,S} - -CsJ-CtCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-CtC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -CsJ-CbCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cb 0 {1,S} -4 H 0 {1,S} - -CsJ-CbCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-CbC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -CsJ-COCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-COC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -CsJ-C=SC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 Sd 0 {2,D} -6 Sd 0 {3,D} - -CsJ-TwoDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -CsJ-CdCtCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 CO 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 C 0 {2,D} -6 Sd 0 {3,D} - -CsJ-CtCtCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -CsJ-CbCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -CsJ-COCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-COC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -CsJ-C=SC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 Sd 0 {2,D} -6 Sd 0 {3,D} - -CsJ-TwoDeOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Os 0 {1,S} - -CsJ-TwoDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-ThreeDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-H -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-Cs -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-Cd -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-Ct -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Ct 0 {1,S} - -CdsJ-Cb -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cb 0 {1,S} - -CdsJ-CO -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 CO 0 {1,S} - -CdsJ-C=S -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 Sd 0 {3,D} - -CdsJ-Os -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Os 0 {1,S} - -CdsJ-Ss -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Ss 0 {1,S} - -CtJ -1 *3 Ct 1 {2,T} -2 C 0 {1,T} - -CbJ -1 *3 Cb 1 - -C=SJ -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 R 0 {1,S} - -C=SJ-H -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 H 0 {1,S} - -C=SJ-Cs -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cs 0 {1,S} - -C=SJ-Cd -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -C=SJ-Ct -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Ct 0 {1,S} - -C=SJ-Cb -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cb 0 {1,S} - -C=SJ-CO -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 CO 0 {1,S} - -C=SJ-C=S -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 Sd 0 {3,D} - -C=SJ-Os -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Os 0 {1,S} - -C=SJ-Ss -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Ss 0 {1,S} - -CO_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 R 0 {1,S} - -CO_pri_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 H 0 {1,S} - -CO_sec_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {R!H} 0 {1,S} - -CO_rad/NonDe -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cs,O} 0 {1,S} - -C2b -1 *3 C 1 {2,T} -2 C 1 {1,T} - -CO_rad/OneDe -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -O_rad -Union {O_pri_rad, O_sec_rad, O2b} - -O_pri_rad -1 *3 O 1 {2,S} -2 H 0 {1,S} - -O_sec_rad -1 *3 O 1 {2,S} -2 {R!H} 0 {1,S} - -O_rad/NonDeC -1 *3 O 1 {2,S} -2 Cs 0 {1,S} - -O_rad/NonDeO -1 *3 O 1 {2,S} -2 O 0 {1,S} - -O_rad/OneDe -1 *3 O 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -O2b -1 *3 O 1 {2,S} -2 O 1 {1,S} - -Y_1centerbirad -1 *3 {Cs,Cd,O,S} 2 - -//CO_birad -//1 *3 C 2T {2,D} -//2 O 0 {1,D} - -O_atom_triplet -1 *3 O 2 - -SJJ -1 *3 S 2T - -CH2_triplet -1 *3 C 2 {2,S}, {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -SJ -1 *3 Ss 1 {2,S} -2 R 0 {1,S} - -SsJ -1 *3 Ss 1 {2,S} -2 R 0 {1,S} - -SsJ-H -1 *3 Ss 1 {2,S} -2 H 0 {1,S} - -SsJ-Cs -1 *3 Ss 1 {2,S} -2 Cs 0 {1,S} - -SsJ-Ss -1 *3 Ss 1 {2,S} -2 Ss 0 {1,S} - -SsJ-OneDe -1 *3 Ss 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-Cd -1 *3 Ss 1 {2,S} -2 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -SsJ-Ct -1 *3 Ss 1 {2,S} -2 Ct 0 {1,S} - -SsJ-Cb -1 *3 Ss 1 {2,S} -2 Cb 0 {1,S} - -SsJ-CO -1 *3 Ss 1 {2,S} -2 CO 0 {1,S} - -SsJ-C=S -1 *3 Ss 1 {2,S} -2 Cd 0 {1,S}, {3,D} -3 Sd 0 {2,D} - diff --git a/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/forbiddenGroups.txt b/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/forbiddenGroups.txt deleted file mode 100644 index 4a438bca48..0000000000 --- a/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/forbiddenGroups.txt +++ /dev/null @@ -1,10 +0,0 @@ -O2_birad -1 *3 O 1 {2,S} -2 O 1 {1,S} - -O2d -1 *1 O 0 {2,D} -2 *2 O 0 {1,D} - - - diff --git a/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/rateLibrary.txt b/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/rateLibrary.txt deleted file mode 100644 index f9c87516d9..0000000000 --- a/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/rateLibrary.txt +++ /dev/null @@ -1,2716 +0,0 @@ -// rate library for f02: Radical addition to multiple bond -// original from rate_library_4.txt. Cath. 03/07/28 - -// JS. define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -1 Cds-HH_Cds-HH CsJ-HHH 300-1500 2.09E+04 2.41 0 5.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2 Cds-HH_Cds-HH CsJ-CsHH 300-1500 2.12E+03 2.41 0 5.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -3 Cds-HH_Cds-HH CsJ-CsCsH 300-1500 1.70E+03 2.41 0 3.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -4 Cds-HH_Cds-HH CsJ-CsCsCs 300-1500 1.26E+03 2.41 0 2.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -5 Cds-HH_Cds-HH CsJ-CdHH 300-1500 2.21E+04 2.41 0 11.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -6 Cds-HH_Cds-HH CsJ-CdCsH 300-1500 3.84E+03 2.41 0 11.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -7 Cds-HH_Cds-HH CsJ-CdCsCs 300-1500 4.97E+02 2.41 0 10.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -8 Cds-HH_Cds-HH CsJ-CdCdH 300-1500 7.75E+03 2.41 0 16.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -9 Cds-HH_Cds-HH CsJ-CdCdCs 300-1500 2.65E+03 2.41 0 16.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -10 Cds-HH_Cds-HH CsJ-CbHH 300-1500 1.02E+04 2.41 0 9.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -11 Cds-HH_Cds-HH CsJ-CbCsH 300-1500 2.52E+03 2.41 0 8.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -12 Cds-HH_Cds-HH CsJ-CbCsCs 300-1500 4.03E+02 2.41 0 8.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -13 Cds-HH_Cds-HH CsJ-CtHH 300-1500 9.46E+03 2.41 0 9.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -14 Cds-HH_Cds-HH CsJ-CtCsH 300-1500 2.13E+03 2.41 0 8.88 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -15 Cds-HH_Cds-HH CsJ-CtCsCs 300-1500 5.44E+02 2.41 0 8.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -16 Cds-HH_Cds-HH CdsJ-H 300-1500 1.43E+04 2.41 0 1.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -17 Cds-HH_Cds-HH CdsJ-Cs 300-1500 7.59E+03 2.41 0 1.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -18 Cds-HH_Cds-HH CbJ 300-1500 2.26E+04 2.41 0 -0.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -19 Cds-HH_Cds-CsH CsJ-HHH 300-1500 2.10E+04 2.41 0 5.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -20 Cds-HH_Cds-CsH CsJ-CsHH 300-1500 2.13E+03 2.41 0 4.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -21 Cds-HH_Cds-CsH CsJ-CsCsH 300-1500 1.71E+03 2.41 0 3.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -22 Cds-HH_Cds-CsH CsJ-CsCsCs 300-1500 1.27E+03 2.41 0 2.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -23 Cds-HH_Cds-CsH CsJ-CdHH 300-1500 2.22E+04 2.41 0 11.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -24 Cds-HH_Cds-CsH CsJ-CdCsH 300-1500 3.86E+03 2.41 0 11.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -25 Cds-HH_Cds-CsH CsJ-CdCsCs 300-1500 4.99E+02 2.41 0 10.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -26 Cds-HH_Cds-CsH CsJ-CdCdH 300-1500 7.78E+03 2.41 0 16.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -27 Cds-HH_Cds-CsH CsJ-CdCdCs 300-1500 2.66E+03 2.41 0 15.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -28 Cds-HH_Cds-CsH CsJ-CbHH 300-1500 1.03E+04 2.41 0 9.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -29 Cds-HH_Cds-CsH CsJ-CbCsH 300-1500 2.53E+03 2.41 0 8.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -30 Cds-HH_Cds-CsH CsJ-CbCsCs 300-1500 4.04E+02 2.41 0 8.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -31 Cds-HH_Cds-CsH CsJ-CtHH 300-1500 9.50E+03 2.41 0 9.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -32 Cds-HH_Cds-CsH CsJ-CtCsH 300-1500 2.14E+03 2.41 0 8.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -33 Cds-HH_Cds-CsH CsJ-CtCsCs 300-1500 5.46E+02 2.41 0 7.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -34 Cds-HH_Cds-CsH CdsJ-H 300-1500 1.44E+04 2.41 0 1.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -35 Cds-HH_Cds-CsH CdsJ-Cs 300-1500 7.62E+03 2.41 0 1.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -36 Cds-HH_Cds-CsH CbJ 300-1500 2.27E+04 2.41 0 -0.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -37 Cds-HH_Cds-CsCs CsJ-HHH 300-1500 2.64E+04 2.41 0 4.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -38 Cds-HH_Cds-CsCs CsJ-CsHH 300-1500 2.68E+03 2.41 0 4.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -39 Cds-HH_Cds-CsCs CsJ-CsCsH 300-1500 2.15E+03 2.41 0 3.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -40 Cds-HH_Cds-CsCs CsJ-CsCsCs 300-1500 1.59E+03 2.41 0 1.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -41 Cds-HH_Cds-CsCs CsJ-CdHH 300-1500 2.79E+04 2.41 0 11.22 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -42 Cds-HH_Cds-CsCs CsJ-CdCsH 300-1500 4.86E+03 2.41 0 10.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -43 Cds-HH_Cds-CsCs CsJ-CdCsCs 300-1500 6.28E+02 2.41 0 10.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -44 Cds-HH_Cds-CsCs CsJ-CdCdH 300-1500 9.79E+03 2.41 0 15.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -45 Cds-HH_Cds-CsCs CsJ-CdCdCs 300-1500 3.34E+03 2.41 0 15.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -46 Cds-HH_Cds-CsCs CsJ-CbHH 300-1500 1.29E+04 2.41 0 8.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -47 Cds-HH_Cds-CsCs CsJ-CbCsH 300-1500 3.18E+03 2.41 0 8.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -48 Cds-HH_Cds-CsCs CsJ-CbCsCs 300-1500 5.09E+02 2.41 0 7.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -49 Cds-HH_Cds-CsCs CsJ-CtHH 300-1500 1.20E+04 2.41 0 8.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -50 Cds-HH_Cds-CsCs CsJ-CtCsH 300-1500 2.69E+03 2.41 0 8.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -51 Cds-HH_Cds-CsCs CsJ-CtCsCs 300-1500 6.87E+02 2.41 0 7.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -52 Cds-HH_Cds-CsCs CdsJ-H 300-1500 1.81E+04 2.41 0 1.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -53 Cds-HH_Cds-CsCs CdsJ-Cs 300-1500 9.58E+03 2.41 0 0.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -54 Cds-HH_Cds-CsCs CbJ 300-1500 2.86E+04 2.41 0 -1.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -55 Cds-HH_Cds-CdH CsJ-HHH 300-1500 2.36E+04 2.41 0 2.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -56 Cds-HH_Cds-CdH CsJ-CsHH 300-1500 2.39E+03 2.41 0 1.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -57 Cds-HH_Cds-CdH CsJ-CsCsH 300-1500 1.92E+03 2.41 0 0.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -58 Cds-HH_Cds-CdH CsJ-CsCsCs 300-1500 1.42E+03 2.41 0 -0.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -59 Cds-HH_Cds-CdH CsJ-CdHH 300-1500 2.49E+04 2.41 0 8.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -60 Cds-HH_Cds-CdH CsJ-CdCsH 300-1500 4.33E+03 2.41 0 8.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -61 Cds-HH_Cds-CdH CsJ-CdCsCs 300-1500 5.61E+02 2.41 0 7.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -62 Cds-HH_Cds-CdH CsJ-CdCdH 300-1500 8.74E+03 2.41 0 13.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -63 Cds-HH_Cds-CdH CsJ-CdCdCs 300-1500 2.98E+03 2.41 0 13.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -64 Cds-HH_Cds-CdH CsJ-CbHH 300-1500 1.15E+04 2.41 0 6.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -65 Cds-HH_Cds-CdH CsJ-CbCsH 300-1500 2.84E+03 2.41 0 5.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -66 Cds-HH_Cds-CdH CsJ-CbCsCs 300-1500 4.54E+02 2.41 0 5.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -67 Cds-HH_Cds-CdH CsJ-CtHH 300-1500 1.07E+04 2.41 0 6.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -68 Cds-HH_Cds-CdH CsJ-CtCsH 300-1500 2.40E+03 2.41 0 5.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -69 Cds-HH_Cds-CdH CsJ-CtCsCs 300-1500 6.14E+02 2.41 0 5.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -70 Cds-HH_Cds-CdH CdsJ-H 300-1500 1.61E+04 2.41 0 -1.31 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -71 Cds-HH_Cds-CdH CdsJ-Cs 300-1500 8.55E+03 2.41 0 -1.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -72 Cds-HH_Cds-CdH CbJ 300-1500 2.55E+04 2.41 0 -3.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -73 Cds-HH_Cds-CdCs CsJ-HHH 300-1500 2.68E+04 2.41 0 2.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -74 Cds-HH_Cds-CdCs CsJ-CsHH 300-1500 2.72E+03 2.41 0 1.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -75 Cds-HH_Cds-CdCs CsJ-CsCsH 300-1500 2.18E+03 2.41 0 0.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -76 Cds-HH_Cds-CdCs CsJ-CsCsCs 300-1500 1.61E+03 2.41 0 -1.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -77 Cds-HH_Cds-CdCs CsJ-CdHH 300-1500 2.82E+04 2.41 0 8.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -78 Cds-HH_Cds-CdCs CsJ-CdCsH 300-1500 4.92E+03 2.41 0 8.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -79 Cds-HH_Cds-CdCs CsJ-CdCsCs 300-1500 6.36E+02 2.41 0 7.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -80 Cds-HH_Cds-CdCs CsJ-CdCdH 300-1500 9.92E+03 2.41 0 12.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -81 Cds-HH_Cds-CdCs CsJ-CdCdCs 300-1500 3.39E+03 2.41 0 12.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -82 Cds-HH_Cds-CdCs CsJ-CbHH 300-1500 1.31E+04 2.41 0 6.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -83 Cds-HH_Cds-CdCs CsJ-CbCsH 300-1500 3.22E+03 2.41 0 5.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -84 Cds-HH_Cds-CdCs CsJ-CbCsCs 300-1500 5.15E+02 2.41 0 4.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -85 Cds-HH_Cds-CdCs CsJ-CtHH 300-1500 1.21E+04 2.41 0 5.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -86 Cds-HH_Cds-CdCs CsJ-CtCsH 300-1500 2.73E+03 2.41 0 5.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -87 Cds-HH_Cds-CdCs CsJ-CtCsCs 300-1500 6.96E+02 2.41 0 4.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -88 Cds-HH_Cds-CdCs CdsJ-H 300-1500 1.83E+04 2.41 0 -1.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -89 Cds-HH_Cds-CdCs CdsJ-Cs 300-1500 9.71E+03 2.41 0 -1.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -90 Cds-HH_Cds-CdCs CbJ 300-1500 2.89E+04 2.41 0 -4.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -91 Cds-HH_Cds-CdCd CsJ-HHH 300-1500 8.16E+04 2.41 0 1.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -92 Cds-HH_Cds-CdCd CsJ-CsHH 300-1500 8.28E+03 2.41 0 0.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -93 Cds-HH_Cds-CdCd CsJ-CsCsH 300-1500 6.64E+03 2.41 0 -0.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -94 Cds-HH_Cds-CdCd CsJ-CsCsCs 300-1500 4.92E+03 2.41 0 -1.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -95 Cds-HH_Cds-CdCd CsJ-CdHH 300-1500 8.61E+04 2.41 0 7.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -96 Cds-HH_Cds-CdCd CsJ-CdCsH 300-1500 1.50E+04 2.41 0 7.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -97 Cds-HH_Cds-CdCd CsJ-CdCsCs 300-1500 1.94E+03 2.41 0 6.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -98 Cds-HH_Cds-CdCd CsJ-CdCdH 300-1500 3.02E+04 2.41 0 12.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -99 Cds-HH_Cds-CdCd CsJ-CdCdCs 300-1500 1.03E+04 2.41 0 11.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -100 Cds-HH_Cds-CdCd CsJ-CbHH 300-1500 3.99E+04 2.41 0 5.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -101 Cds-HH_Cds-CdCd CsJ-CbCsH 300-1500 9.82E+03 2.41 0 4.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -102 Cds-HH_Cds-CdCd CsJ-CbCsCs 300-1500 1.57E+03 2.41 0 3.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -103 Cds-HH_Cds-CdCd CsJ-CtHH 300-1500 3.69E+04 2.41 0 4.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -104 Cds-HH_Cds-CdCd CsJ-CtCsH 300-1500 8.32E+03 2.41 0 4.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -105 Cds-HH_Cds-CdCd CsJ-CtCsCs 300-1500 2.12E+03 2.41 0 3.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -106 Cds-HH_Cds-CdCd CdsJ-H 300-1500 5.58E+04 2.41 0 -2.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -107 Cds-HH_Cds-CdCd CdsJ-Cs 300-1500 2.96E+04 2.41 0 -2.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -108 Cds-HH_Cds-CdCd CbJ 300-1500 8.81E+04 2.41 0 -5.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -109 Cds-HH_Cds-CbH CsJ-HHH 300-1500 7.70E+03 2.41 0 4.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -110 Cds-HH_Cds-CbH CsJ-CsHH 300-1500 7.82E+02 2.41 0 3.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -111 Cds-HH_Cds-CbH CsJ-CsCsH 300-1500 6.27E+02 2.41 0 2.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -112 Cds-HH_Cds-CbH CsJ-CsCsCs 300-1500 4.64E+02 2.41 0 1.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -113 Cds-HH_Cds-CbH CsJ-CdHH 300-1500 8.12E+03 2.41 0 10.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -114 Cds-HH_Cds-CbH CsJ-CdCsH 300-1500 1.41E+03 2.41 0 10.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -115 Cds-HH_Cds-CbH CsJ-CdCsCs 300-1500 1.83E+02 2.41 0 9.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -116 Cds-HH_Cds-CbH CsJ-CdCdH 300-1500 2.85E+03 2.41 0 15.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -117 Cds-HH_Cds-CbH CsJ-CdCdCs 300-1500 9.74E+02 2.41 0 14.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -118 Cds-HH_Cds-CbH CsJ-CbHH 300-1500 3.77E+03 2.41 0 8.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -119 Cds-HH_Cds-CbH CsJ-CbCsH 300-1500 9.26E+02 2.41 0 7.54 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -120 Cds-HH_Cds-CbH CsJ-CbCsCs 300-1500 1.48E+02 2.41 0 7.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -121 Cds-HH_Cds-CbH CsJ-CtHH 300-1500 3.48E+03 2.41 0 7.99 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -122 Cds-HH_Cds-CbH CsJ-CtCsH 300-1500 7.85E+02 2.41 0 7.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -123 Cds-HH_Cds-CbH CsJ-CtCsCs 300-1500 2.00E+02 2.41 0 6.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -124 Cds-HH_Cds-CbH CdsJ-H 300-1500 5.27E+03 2.41 0 0.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -125 Cds-HH_Cds-CbH CdsJ-Cs 300-1500 2.79E+03 2.41 0 0.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -126 Cds-HH_Cds-CbH CbJ 300-1500 8.32E+03 2.41 0 -1.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -127 Cds-HH_Cds-CbCs CsJ-HHH 300-1500 1.63E+04 2.41 0 4.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -128 Cds-HH_Cds-CbCs CsJ-CsHH 300-1500 1.66E+03 2.41 0 3.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -129 Cds-HH_Cds-CbCs CsJ-CsCsH 300-1500 1.33E+03 2.41 0 2.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -130 Cds-HH_Cds-CbCs CsJ-CsCsCs 300-1500 9.85E+02 2.41 0 0.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -131 Cds-HH_Cds-CbCs CsJ-CdHH 300-1500 1.72E+04 2.41 0 10.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -132 Cds-HH_Cds-CbCs CsJ-CdCsH 300-1500 3.00E+03 2.41 0 10.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -133 Cds-HH_Cds-CbCs CsJ-CdCsCs 300-1500 3.88E+02 2.41 0 9.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -134 Cds-HH_Cds-CbCs CsJ-CdCdH 300-1500 6.05E+03 2.41 0 14.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -135 Cds-HH_Cds-CbCs CsJ-CdCdCs 300-1500 2.07E+03 2.41 0 14.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -136 Cds-HH_Cds-CbCs CsJ-CbHH 300-1500 7.99E+03 2.41 0 8.08 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -137 Cds-HH_Cds-CbCs CsJ-CbCsH 300-1500 1.96E+03 2.41 0 7.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -138 Cds-HH_Cds-CbCs CsJ-CbCsCs 300-1500 3.14E+02 2.41 0 6.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -139 Cds-HH_Cds-CbCs CsJ-CtHH 300-1500 7.38E+03 2.41 0 7.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -140 Cds-HH_Cds-CbCs CsJ-CtCsH 300-1500 1.66E+03 2.41 0 7.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -141 Cds-HH_Cds-CbCs CsJ-CtCsCs 300-1500 4.25E+02 2.41 0 6.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -142 Cds-HH_Cds-CbCs CdsJ-H 300-1500 1.12E+04 2.41 0 0.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -143 Cds-HH_Cds-CbCs CdsJ-Cs 300-1500 5.92E+03 2.41 0 0.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -144 Cds-HH_Cds-CbCs CbJ 300-1500 1.76E+04 2.41 0 -2.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -145 Cds-HH_Cds-CtH CsJ-HHH 300-1500 3.06E+04 2.41 0 2.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -146 Cds-HH_Cds-CtH CsJ-CsHH 300-1500 3.10E+03 2.41 0 1.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -147 Cds-HH_Cds-CtH CsJ-CsCsH 300-1500 2.49E+03 2.41 0 0.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -148 Cds-HH_Cds-CtH CsJ-CsCsCs 300-1500 1.84E+03 2.41 0 -0.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -149 Cds-HH_Cds-CtH CsJ-CdHH 300-1500 3.23E+04 2.41 0 8.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -150 Cds-HH_Cds-CtH CsJ-CdCsH 300-1500 5.62E+03 2.41 0 8.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -151 Cds-HH_Cds-CtH CsJ-CdCsCs 300-1500 7.27E+02 2.41 0 7.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -152 Cds-HH_Cds-CtH CsJ-CdCdH 300-1500 1.13E+04 2.41 0 13.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -153 Cds-HH_Cds-CtH CsJ-CdCdCs 300-1500 3.87E+03 2.41 0 13.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -154 Cds-HH_Cds-CtH CsJ-CbHH 300-1500 1.50E+04 2.41 0 6.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -155 Cds-HH_Cds-CtH CsJ-CbCsH 300-1500 3.68E+03 2.41 0 5.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -156 Cds-HH_Cds-CtH CsJ-CbCsCs 300-1500 5.89E+02 2.41 0 5.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -157 Cds-HH_Cds-CtH CsJ-CtHH 300-1500 1.38E+04 2.41 0 6.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -158 Cds-HH_Cds-CtH CsJ-CtCsH 300-1500 3.12E+03 2.41 0 5.62 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -159 Cds-HH_Cds-CtH CsJ-CtCsCs 300-1500 7.95E+02 2.41 0 4.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -160 Cds-HH_Cds-CtH CdsJ-H 300-1500 2.09E+04 2.41 0 -1.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -161 Cds-HH_Cds-CtH CdsJ-Cs 300-1500 1.11E+04 2.41 0 -1.67 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -162 Cds-HH_Cds-CtH CbJ 300-1500 3.30E+04 2.41 0 -3.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -163 Cds-HH_Cds-CtCs CsJ-HHH 300-1500 3.13E+04 2.41 0 2.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -164 Cds-HH_Cds-CtCs CsJ-CsHH 300-1500 3.18E+03 2.41 0 1.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -165 Cds-HH_Cds-CtCs CsJ-CsCsH 300-1500 2.55E+03 2.41 0 0.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -166 Cds-HH_Cds-CtCs CsJ-CsCsCs 300-1500 1.89E+03 2.41 0 -0.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -167 Cds-HH_Cds-CtCs CsJ-CdHH 300-1500 3.30E+04 2.41 0 8.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -168 Cds-HH_Cds-CtCs CsJ-CdCsH 300-1500 5.75E+03 2.41 0 8.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -169 Cds-HH_Cds-CtCs CsJ-CdCsCs 300-1500 7.44E+02 2.41 0 7.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -170 Cds-HH_Cds-CtCs CsJ-CdCdH 300-1500 1.16E+04 2.41 0 13.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -171 Cds-HH_Cds-CtCs CsJ-CdCdCs 300-1500 3.96E+03 2.41 0 12.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -172 Cds-HH_Cds-CtCs CsJ-CbHH 300-1500 1.53E+04 2.41 0 6.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -173 Cds-HH_Cds-CtCs CsJ-CbCsH 300-1500 3.77E+03 2.41 0 5.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -174 Cds-HH_Cds-CtCs CsJ-CbCsCs 300-1500 6.03E+02 2.41 0 5.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -175 Cds-HH_Cds-CtCs CsJ-CtHH 300-1500 1.42E+04 2.41 0 6.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -176 Cds-HH_Cds-CtCs CsJ-CtCsH 300-1500 3.19E+03 2.41 0 5.54 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -177 Cds-HH_Cds-CtCs CsJ-CtCsCs 300-1500 8.14E+02 2.41 0 4.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -178 Cds-HH_Cds-CtCs CdsJ-H 300-1500 2.14E+04 2.41 0 -1.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -179 Cds-HH_Cds-CtCs CdsJ-Cs 300-1500 1.14E+04 2.41 0 -1.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -180 Cds-HH_Cds-CtCs CbJ 300-1500 3.38E+04 2.41 0 -3.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -181 Cds-HH_Ca CsJ-HHH 300-1500 2.26E+04 2.41 0 6.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -182 Cds-HH_Ca CsJ-CsHH 300-1500 2.29E+03 2.41 0 5.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -183 Cds-HH_Ca CsJ-CsCsH 300-1500 1.84E+03 2.41 0 4.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -184 Cds-HH_Ca CsJ-CsCsCs 300-1500 1.36E+03 2.41 0 3.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -185 Cds-HH_Ca CsJ-CdHH 300-1500 2.38E+04 2.41 0 12.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -186 Cds-HH_Ca CsJ-CdCsH 300-1500 4.15E+03 2.41 0 12.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -187 Cds-HH_Ca CsJ-CdCsCs 300-1500 5.37E+02 2.41 0 11.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -188 Cds-HH_Ca CsJ-CdCdH 300-1500 8.37E+03 2.41 0 17.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -189 Cds-HH_Ca CsJ-CdCdCs 300-1500 2.86E+03 2.41 0 16.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -190 Cds-HH_Ca CsJ-CbHH 300-1500 1.11E+04 2.41 0 10.16 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -191 Cds-HH_Ca CsJ-CbCsH 300-1500 2.72E+03 2.41 0 9.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -192 Cds-HH_Ca CsJ-CbCsCs 300-1500 4.35E+02 2.41 0 8.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -193 Cds-HH_Ca CsJ-CtHH 300-1500 1.02E+04 2.41 0 9.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -194 Cds-HH_Ca CsJ-CtCsH 300-1500 2.30E+03 2.41 0 9.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -195 Cds-HH_Ca CsJ-CtCsCs 300-1500 5.88E+02 2.41 0 8.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -196 Cds-HH_Ca CdsJ-H 300-1500 1.54E+04 2.41 0 2.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -197 Cds-HH_Ca CdsJ-Cs 300-1500 8.19E+03 2.41 0 2.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -198 Cds-HH_Ca CbJ 300-1500 2.44E+04 2.41 0 -0.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -199 Cds-CsH_Cds-HH CsJ-HHH 300-1500 1.00E+04 2.41 0 7.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -200 Cds-CsH_Cds-HH CsJ-CsHH 300-1500 1.02E+03 2.41 0 6.54 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -201 Cds-CsH_Cds-HH CsJ-CsCsH 300-1500 8.18E+02 2.41 0 5.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -202 Cds-CsH_Cds-HH CsJ-CsCsCs 300-1500 6.06E+02 2.41 0 3.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -203 Cds-CsH_Cds-HH CsJ-CdHH 300-1500 1.06E+04 2.41 0 13.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -204 Cds-CsH_Cds-HH CsJ-CdCsH 300-1500 1.85E+03 2.41 0 13.16 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -205 Cds-CsH_Cds-HH CsJ-CdCsCs 300-1500 2.39E+02 2.41 0 12.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -206 Cds-CsH_Cds-HH CsJ-CdCdH 300-1500 3.72E+03 2.41 0 17.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -207 Cds-CsH_Cds-HH CsJ-CdCdCs 300-1500 1.27E+03 2.41 0 17.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -208 Cds-CsH_Cds-HH CsJ-CbHH 300-1500 4.91E+03 2.41 0 11.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -209 Cds-CsH_Cds-HH CsJ-CbCsH 300-1500 1.21E+03 2.41 0 10.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -210 Cds-CsH_Cds-HH CsJ-CbCsCs 300-1500 1.93E+02 2.41 0 9.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -211 Cds-CsH_Cds-HH CsJ-CtHH 300-1500 4.54E+03 2.41 0 10.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -212 Cds-CsH_Cds-HH CsJ-CtCsH 300-1500 1.02E+03 2.41 0 10.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -213 Cds-CsH_Cds-HH CsJ-CtCsCs 300-1500 2.61E+02 2.41 0 9.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -214 Cds-CsH_Cds-HH CdsJ-H 300-1500 6.87E+03 2.41 0 3.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -215 Cds-CsH_Cds-HH CdsJ-Cs 300-1500 3.64E+03 2.41 0 3.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -216 Cds-CsH_Cds-HH CbJ 300-1500 1.08E+04 2.41 0 0.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -217 Cds-CsH_Cds-CsH CsJ-HHH 300-1500 1.01E+04 2.41 0 6.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -218 Cds-CsH_Cds-CsH CsJ-CsHH 300-1500 1.02E+03 2.41 0 6.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -219 Cds-CsH_Cds-CsH CsJ-CsCsH 300-1500 8.21E+02 2.41 0 5.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -220 Cds-CsH_Cds-CsH CsJ-CsCsCs 300-1500 6.08E+02 2.41 0 3.62 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -221 Cds-CsH_Cds-CsH CsJ-CdHH 300-1500 1.06E+04 2.41 0 13.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -222 Cds-CsH_Cds-CsH CsJ-CdCsH 300-1500 1.85E+03 2.41 0 12.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -223 Cds-CsH_Cds-CsH CsJ-CdCsCs 300-1500 2.40E+02 2.41 0 11.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -224 Cds-CsH_Cds-CsH CsJ-CdCdH 300-1500 3.74E+03 2.41 0 17.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -225 Cds-CsH_Cds-CsH CsJ-CdCdCs 300-1500 1.28E+03 2.41 0 17.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -226 Cds-CsH_Cds-CsH CsJ-CbHH 300-1500 4.93E+03 2.41 0 10.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -227 Cds-CsH_Cds-CsH CsJ-CbCsH 300-1500 1.21E+03 2.41 0 10.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -228 Cds-CsH_Cds-CsH CsJ-CbCsCs 300-1500 1.94E+02 2.41 0 9.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -229 Cds-CsH_Cds-CsH CsJ-CtHH 300-1500 4.56E+03 2.41 0 10.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -230 Cds-CsH_Cds-CsH CsJ-CtCsH 300-1500 1.03E+03 2.41 0 10.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -231 Cds-CsH_Cds-CsH CsJ-CtCsCs 300-1500 2.62E+02 2.41 0 9.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -232 Cds-CsH_Cds-CsH CdsJ-H 300-1500 6.90E+03 2.41 0 2.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -233 Cds-CsH_Cds-CsH CdsJ-Cs 300-1500 3.66E+03 2.41 0 2.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -234 Cds-CsH_Cds-CsH CbJ 300-1500 1.09E+04 2.41 0 0.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -235 Cds-CsH_Cds-CsCs CsJ-HHH 300-1500 1.27E+04 2.41 0 6.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -236 Cds-CsH_Cds-CsCs CsJ-CsHH 300-1500 1.29E+03 2.41 0 5.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -237 Cds-CsH_Cds-CsCs CsJ-CsCsH 300-1500 1.03E+03 2.41 0 4.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -238 Cds-CsH_Cds-CsCs CsJ-CsCsCs 300-1500 7.65E+02 2.41 0 3.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -239 Cds-CsH_Cds-CsCs CsJ-CdHH 300-1500 1.34E+04 2.41 0 12.70 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -240 Cds-CsH_Cds-CsCs CsJ-CdCsH 300-1500 2.33E+03 2.41 0 12.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -241 Cds-CsH_Cds-CsCs CsJ-CdCsCs 300-1500 3.01E+02 2.41 0 11.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -242 Cds-CsH_Cds-CsCs CsJ-CdCdH 300-1500 4.70E+03 2.41 0 17.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -243 Cds-CsH_Cds-CsCs CsJ-CdCdCs 300-1500 1.60E+03 2.41 0 17.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -244 Cds-CsH_Cds-CsCs CsJ-CbHH 300-1500 6.21E+03 2.41 0 10.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -245 Cds-CsH_Cds-CsCs CsJ-CbCsH 300-1500 1.53E+03 2.41 0 9.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -246 Cds-CsH_Cds-CsCs CsJ-CbCsCs 300-1500 2.44E+02 2.41 0 9.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -247 Cds-CsH_Cds-CsCs CsJ-CtHH 300-1500 5.74E+03 2.41 0 10.13 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -248 Cds-CsH_Cds-CsCs CsJ-CtCsH 300-1500 1.29E+03 2.41 0 9.67 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -249 Cds-CsH_Cds-CsCs CsJ-CtCsCs 300-1500 3.30E+02 2.41 0 8.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -250 Cds-CsH_Cds-CsCs CdsJ-H 300-1500 8.68E+03 2.41 0 2.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -251 Cds-CsH_Cds-CsCs CdsJ-Cs 300-1500 4.60E+03 2.41 0 2.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -252 Cds-CsH_Cds-CsCs CbJ 300-1500 1.37E+04 2.41 0 0.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -253 Cds-CsH_Cds-CdH CsJ-HHH 300-1500 1.13E+04 2.41 0 4.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -254 Cds-CsH_Cds-CdH CsJ-CsHH 300-1500 1.15E+03 2.41 0 3.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -255 Cds-CsH_Cds-CdH CsJ-CsCsH 300-1500 9.22E+02 2.41 0 2.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -256 Cds-CsH_Cds-CdH CsJ-CsCsCs 300-1500 6.83E+02 2.41 0 0.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -257 Cds-CsH_Cds-CdH CsJ-CdHH 300-1500 1.19E+04 2.41 0 10.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -258 Cds-CsH_Cds-CdH CsJ-CdCsH 300-1500 2.08E+03 2.41 0 10.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -259 Cds-CsH_Cds-CdH CsJ-CdCsCs 300-1500 2.69E+02 2.41 0 9.08 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -260 Cds-CsH_Cds-CdH CsJ-CdCdH 300-1500 4.19E+03 2.41 0 14.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -261 Cds-CsH_Cds-CdH CsJ-CdCdCs 300-1500 1.43E+03 2.41 0 14.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -262 Cds-CsH_Cds-CdH CsJ-CbHH 300-1500 5.54E+03 2.41 0 7.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -263 Cds-CsH_Cds-CdH CsJ-CbCsH 300-1500 1.36E+03 2.41 0 7.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -264 Cds-CsH_Cds-CdH CsJ-CbCsCs 300-1500 2.18E+02 2.41 0 6.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -265 Cds-CsH_Cds-CdH CsJ-CtHH 300-1500 5.12E+03 2.41 0 7.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -266 Cds-CsH_Cds-CdH CsJ-CtCsH 300-1500 1.15E+03 2.41 0 7.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -267 Cds-CsH_Cds-CdH CsJ-CtCsCs 300-1500 2.95E+02 2.41 0 6.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -268 Cds-CsH_Cds-CdH CdsJ-H 300-1500 7.74E+03 2.41 0 0.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -269 Cds-CsH_Cds-CdH CdsJ-Cs 300-1500 4.11E+03 2.41 0 -0.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -270 Cds-CsH_Cds-CdH CbJ 300-1500 1.22E+04 2.41 0 -2.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -271 Cds-CsH_Cds-CdCs CsJ-HHH 300-1500 1.28E+04 2.41 0 3.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -272 Cds-CsH_Cds-CdCs CsJ-CsHH 300-1500 1.30E+03 2.41 0 3.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -273 Cds-CsH_Cds-CdCs CsJ-CsCsH 300-1500 1.05E+03 2.41 0 1.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -274 Cds-CsH_Cds-CdCs CsJ-CsCsCs 300-1500 7.75E+02 2.41 0 0.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -275 Cds-CsH_Cds-CdCs CsJ-CdHH 300-1500 1.36E+04 2.41 0 9.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -276 Cds-CsH_Cds-CdCs CsJ-CdCsH 300-1500 2.36E+03 2.41 0 9.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -277 Cds-CsH_Cds-CdCs CsJ-CdCsCs 300-1500 3.05E+02 2.41 0 8.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -278 Cds-CsH_Cds-CdCs CsJ-CdCdH 300-1500 4.76E+03 2.41 0 14.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -279 Cds-CsH_Cds-CdCs CsJ-CdCdCs 300-1500 1.63E+03 2.41 0 14.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -280 Cds-CsH_Cds-CdCs CsJ-CbHH 300-1500 6.29E+03 2.41 0 7.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -281 Cds-CsH_Cds-CdCs CsJ-CbCsH 300-1500 1.55E+03 2.41 0 6.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -282 Cds-CsH_Cds-CdCs CsJ-CbCsCs 300-1500 2.47E+02 2.41 0 6.31 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -283 Cds-CsH_Cds-CdCs CsJ-CtHH 300-1500 5.81E+03 2.41 0 7.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -284 Cds-CsH_Cds-CdCs CsJ-CtCsH 300-1500 1.31E+03 2.41 0 6.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -285 Cds-CsH_Cds-CdCs CsJ-CtCsCs 300-1500 3.34E+02 2.41 0 6.16 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -286 Cds-CsH_Cds-CdCs CdsJ-H 300-1500 8.79E+03 2.41 0 -0.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -287 Cds-CsH_Cds-CdCs CdsJ-Cs 300-1500 4.66E+03 2.41 0 -0.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -288 Cds-CsH_Cds-CdCs CbJ 300-1500 1.39E+04 2.41 0 -2.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -289 Cds-CsH_Cds-CdCd CsJ-HHH 300-1500 3.91E+04 2.41 0 2.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -290 Cds-CsH_Cds-CdCd CsJ-CsHH 300-1500 3.98E+03 2.41 0 2.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -291 Cds-CsH_Cds-CdCd CsJ-CsCsH 300-1500 3.19E+03 2.41 0 0.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -292 Cds-CsH_Cds-CdCd CsJ-CsCsCs 300-1500 2.36E+03 2.41 0 -0.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -293 Cds-CsH_Cds-CdCd CsJ-CdHH 300-1500 4.13E+04 2.41 0 8.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -294 Cds-CsH_Cds-CdCd CsJ-CdCsH 300-1500 7.20E+03 2.41 0 8.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -295 Cds-CsH_Cds-CdCd CsJ-CdCsCs 300-1500 9.31E+02 2.41 0 7.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -296 Cds-CsH_Cds-CdCd CsJ-CdCdH 300-1500 1.45E+04 2.41 0 13.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -297 Cds-CsH_Cds-CdCd CsJ-CdCdCs 300-1500 4.95E+03 2.41 0 13.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -298 Cds-CsH_Cds-CdCd CsJ-CbHH 300-1500 1.92E+04 2.41 0 6.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -299 Cds-CsH_Cds-CdCd CsJ-CbCsH 300-1500 4.71E+03 2.41 0 5.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -300 Cds-CsH_Cds-CdCd CsJ-CbCsCs 300-1500 7.54E+02 2.41 0 5.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -301 Cds-CsH_Cds-CdCd CsJ-CtHH 300-1500 1.77E+04 2.41 0 6.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -302 Cds-CsH_Cds-CdCd CsJ-CtCsH 300-1500 3.99E+03 2.41 0 5.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -303 Cds-CsH_Cds-CdCd CsJ-CtCsCs 300-1500 1.02E+03 2.41 0 5.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -304 Cds-CsH_Cds-CdCd CdsJ-H 300-1500 2.68E+04 2.41 0 -1.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -305 Cds-CsH_Cds-CdCd CdsJ-Cs 300-1500 1.42E+04 2.41 0 -1.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -306 Cds-CsH_Cds-CdCd CbJ 300-1500 4.23E+04 2.41 0 -3.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -307 Cds-CsH_Cds-CbH CsJ-HHH 300-1500 3.69E+03 2.41 0 5.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -308 Cds-CsH_Cds-CbH CsJ-CsHH 300-1500 3.75E+02 2.41 0 5.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -309 Cds-CsH_Cds-CbH CsJ-CsCsH 300-1500 3.01E+02 2.41 0 3.99 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -310 Cds-CsH_Cds-CbH CsJ-CsCsCs 300-1500 2.23E+02 2.41 0 2.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -311 Cds-CsH_Cds-CbH CsJ-CdHH 300-1500 3.90E+03 2.41 0 12.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -312 Cds-CsH_Cds-CbH CsJ-CdCsH 300-1500 6.79E+02 2.41 0 11.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -313 Cds-CsH_Cds-CbH CsJ-CdCsCs 300-1500 8.78E+01 2.41 0 10.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -314 Cds-CsH_Cds-CbH CsJ-CdCdH 300-1500 1.37E+03 2.41 0 16.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -315 Cds-CsH_Cds-CbH CsJ-CdCdCs 300-1500 4.67E+02 2.41 0 16.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -316 Cds-CsH_Cds-CbH CsJ-CbHH 300-1500 1.81E+03 2.41 0 9.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -317 Cds-CsH_Cds-CbH CsJ-CbCsH 300-1500 4.45E+02 2.41 0 9.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -318 Cds-CsH_Cds-CbH CsJ-CbCsCs 300-1500 7.11E+01 2.41 0 8.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -319 Cds-CsH_Cds-CbH CsJ-CtHH 300-1500 1.67E+03 2.41 0 9.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -320 Cds-CsH_Cds-CbH CsJ-CtCsH 300-1500 3.77E+02 2.41 0 9.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -321 Cds-CsH_Cds-CbH CsJ-CtCsCs 300-1500 9.61E+01 2.41 0 8.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -322 Cds-CsH_Cds-CbH CdsJ-H 300-1500 2.53E+03 2.41 0 1.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -323 Cds-CsH_Cds-CbH CdsJ-Cs 300-1500 1.34E+03 2.41 0 1.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -324 Cds-CsH_Cds-CbH CbJ 300-1500 3.99E+03 2.41 0 -0.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -325 Cds-CsH_Cds-CbCs CsJ-HHH 300-1500 7.84E+03 2.41 0 5.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -326 Cds-CsH_Cds-CbCs CsJ-CsHH 300-1500 7.96E+02 2.41 0 5.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -327 Cds-CsH_Cds-CbCs CsJ-CsCsH 300-1500 6.38E+02 2.41 0 3.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -328 Cds-CsH_Cds-CbCs CsJ-CsCsCs 300-1500 4.73E+02 2.41 0 2.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -329 Cds-CsH_Cds-CbCs CsJ-CdHH 300-1500 8.27E+03 2.41 0 11.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -330 Cds-CsH_Cds-CbCs CsJ-CdCsH 300-1500 1.44E+03 2.41 0 11.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -331 Cds-CsH_Cds-CbCs CsJ-CdCsCs 300-1500 1.86E+02 2.41 0 10.67 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -332 Cds-CsH_Cds-CbCs CsJ-CdCdH 300-1500 2.90E+03 2.41 0 16.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -333 Cds-CsH_Cds-CbCs CsJ-CdCdCs 300-1500 9.91E+02 2.41 0 16.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -334 Cds-CsH_Cds-CbCs CsJ-CbHH 300-1500 3.83E+03 2.41 0 9.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -335 Cds-CsH_Cds-CbCs CsJ-CbCsH 300-1500 9.43E+02 2.41 0 8.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -336 Cds-CsH_Cds-CbCs CsJ-CbCsCs 300-1500 1.51E+02 2.41 0 8.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -337 Cds-CsH_Cds-CbCs CsJ-CtHH 300-1500 3.54E+03 2.41 0 9.31 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -338 Cds-CsH_Cds-CbCs CsJ-CtCsH 300-1500 7.99E+02 2.41 0 8.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -339 Cds-CsH_Cds-CbCs CsJ-CtCsCs 300-1500 2.04E+02 2.41 0 8.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -340 Cds-CsH_Cds-CbCs CdsJ-H 300-1500 5.36E+03 2.41 0 1.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -341 Cds-CsH_Cds-CbCs CdsJ-Cs 300-1500 2.84E+03 2.41 0 1.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -342 Cds-CsH_Cds-CbCs CbJ 300-1500 8.47E+03 2.41 0 -0.62 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -343 Cds-CsH_Cds-CtH CsJ-HHH 300-1500 1.47E+04 2.41 0 3.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -344 Cds-CsH_Cds-CtH CsJ-CsHH 300-1500 1.49E+03 2.41 0 3.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -345 Cds-CsH_Cds-CtH CsJ-CsCsH 300-1500 1.20E+03 2.41 0 2.08 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -346 Cds-CsH_Cds-CtH CsJ-CsCsCs 300-1500 8.85E+02 2.41 0 0.67 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -347 Cds-CsH_Cds-CtH CsJ-CdHH 300-1500 1.55E+04 2.41 0 10.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -348 Cds-CsH_Cds-CtH CsJ-CdCsH 300-1500 2.70E+03 2.41 0 9.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -349 Cds-CsH_Cds-CtH CsJ-CdCsCs 300-1500 3.49E+02 2.41 0 8.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -350 Cds-CsH_Cds-CtH CsJ-CdCdH 300-1500 5.44E+03 2.41 0 14.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -351 Cds-CsH_Cds-CtH CsJ-CdCdCs 300-1500 1.86E+03 2.41 0 14.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -352 Cds-CsH_Cds-CtH CsJ-CbHH 300-1500 7.18E+03 2.41 0 7.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -353 Cds-CsH_Cds-CtH CsJ-CbCsH 300-1500 1.77E+03 2.41 0 7.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -354 Cds-CsH_Cds-CtH CsJ-CbCsCs 300-1500 2.83E+02 2.41 0 6.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -355 Cds-CsH_Cds-CtH CsJ-CtHH 300-1500 6.64E+03 2.41 0 7.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -356 Cds-CsH_Cds-CtH CsJ-CtCsH 300-1500 1.50E+03 2.41 0 7.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -357 Cds-CsH_Cds-CtH CsJ-CtCsCs 300-1500 3.82E+02 2.41 0 6.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -358 Cds-CsH_Cds-CtH CdsJ-H 300-1500 1.00E+04 2.41 0 0.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -359 Cds-CsH_Cds-CtH CdsJ-Cs 300-1500 5.32E+03 2.41 0 -0.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -360 Cds-CsH_Cds-CtH CbJ 300-1500 1.59E+04 2.41 0 -2.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -361 Cds-CsH_Cds-CtCs CsJ-HHH 300-1500 1.50E+04 2.41 0 3.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -362 Cds-CsH_Cds-CtCs CsJ-CsHH 300-1500 1.53E+03 2.41 0 3.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -363 Cds-CsH_Cds-CtCs CsJ-CsCsH 300-1500 1.22E+03 2.41 0 2.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -364 Cds-CsH_Cds-CtCs CsJ-CsCsCs 300-1500 9.06E+02 2.41 0 0.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -365 Cds-CsH_Cds-CtCs CsJ-CdHH 300-1500 1.59E+04 2.41 0 10.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -366 Cds-CsH_Cds-CtCs CsJ-CdCsH 300-1500 2.76E+03 2.41 0 9.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -367 Cds-CsH_Cds-CtCs CsJ-CdCsCs 300-1500 3.57E+02 2.41 0 8.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -368 Cds-CsH_Cds-CtCs CsJ-CdCdH 300-1500 5.57E+03 2.41 0 14.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -369 Cds-CsH_Cds-CtCs CsJ-CdCdCs 300-1500 1.90E+03 2.41 0 14.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -370 Cds-CsH_Cds-CtCs CsJ-CbHH 300-1500 7.35E+03 2.41 0 7.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -371 Cds-CsH_Cds-CtCs CsJ-CbCsH 300-1500 1.81E+03 2.41 0 7.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -372 Cds-CsH_Cds-CtCs CsJ-CbCsCs 300-1500 2.89E+02 2.41 0 6.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -373 Cds-CsH_Cds-CtCs CsJ-CtHH 300-1500 6.79E+03 2.41 0 7.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -374 Cds-CsH_Cds-CtCs CsJ-CtCsH 300-1500 1.53E+03 2.41 0 7.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -375 Cds-CsH_Cds-CtCs CsJ-CtCsCs 300-1500 3.91E+02 2.41 0 6.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -376 Cds-CsH_Cds-CtCs CdsJ-H 300-1500 1.03E+04 2.41 0 -0.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -377 Cds-CsH_Cds-CtCs CdsJ-Cs 300-1500 5.45E+03 2.41 0 -0.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -378 Cds-CsH_Cds-CtCs CbJ 300-1500 1.62E+04 2.41 0 -2.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -379 Cds-CsH_Ca CsJ-HHH 300-1500 1.08E+04 2.41 0 7.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -380 Cds-CsH_Ca CsJ-CsHH 300-1500 1.10E+03 2.41 0 7.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -381 Cds-CsH_Ca CsJ-CsCsH 300-1500 8.83E+02 2.41 0 5.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -382 Cds-CsH_Ca CsJ-CsCsCs 300-1500 6.54E+02 2.41 0 4.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -383 Cds-CsH_Ca CsJ-CdHH 300-1500 1.14E+04 2.41 0 13.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -384 Cds-CsH_Ca CsJ-CdCsH 300-1500 1.99E+03 2.41 0 13.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -385 Cds-CsH_Ca CsJ-CdCsCs 300-1500 2.58E+02 2.41 0 12.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -386 Cds-CsH_Ca CsJ-CdCdH 300-1500 4.02E+03 2.41 0 18.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -387 Cds-CsH_Ca CsJ-CdCdCs 300-1500 1.37E+03 2.41 0 18.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -388 Cds-CsH_Ca CsJ-CbHH 300-1500 5.30E+03 2.41 0 11.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -389 Cds-CsH_Ca CsJ-CbCsH 300-1500 1.30E+03 2.41 0 10.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -390 Cds-CsH_Ca CsJ-CbCsCs 300-1500 2.09E+02 2.41 0 10.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -391 Cds-CsH_Ca CsJ-CtHH 300-1500 4.90E+03 2.41 0 11.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -392 Cds-CsH_Ca CsJ-CtCsH 300-1500 1.11E+03 2.41 0 10.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -393 Cds-CsH_Ca CsJ-CtCsCs 300-1500 2.82E+02 2.41 0 10.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -394 Cds-CsH_Ca CdsJ-H 300-1500 7.42E+03 2.41 0 3.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -395 Cds-CsH_Ca CdsJ-Cs 300-1500 3.93E+03 2.41 0 3.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -396 Cds-CsH_Ca CbJ 300-1500 1.17E+04 2.41 0 1.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -397 Cds-CsCs_Cds-HH CsJ-HHH 300-1500 6.24E+03 2.41 0 8.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -398 Cds-CsCs_Cds-HH CsJ-CsHH 300-1500 6.34E+02 2.41 0 7.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -399 Cds-CsCs_Cds-HH CsJ-CsCsH 300-1500 5.08E+02 2.41 0 6.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -400 Cds-CsCs_Cds-HH CsJ-CsCsCs 300-1500 3.76E+02 2.41 0 4.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -401 Cds-CsCs_Cds-HH CsJ-CdHH 300-1500 6.58E+03 2.41 0 14.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -402 Cds-CsCs_Cds-HH CsJ-CdCsH 300-1500 1.15E+03 2.41 0 14.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -403 Cds-CsCs_Cds-HH CsJ-CdCsCs 300-1500 1.48E+02 2.41 0 13.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -404 Cds-CsCs_Cds-HH CsJ-CdCdH 300-1500 2.31E+03 2.41 0 18.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -405 Cds-CsCs_Cds-HH CsJ-CdCdCs 300-1500 7.89E+02 2.41 0 18.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -406 Cds-CsCs_Cds-HH CsJ-CbHH 300-1500 3.05E+03 2.41 0 12.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -407 Cds-CsCs_Cds-HH CsJ-CbCsH 300-1500 7.51E+02 2.41 0 11.31 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -408 Cds-CsCs_Cds-HH CsJ-CbCsCs 300-1500 1.20E+02 2.41 0 10.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -409 Cds-CsCs_Cds-HH CsJ-CtHH 300-1500 2.82E+03 2.41 0 11.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -410 Cds-CsCs_Cds-HH CsJ-CtCsH 300-1500 6.36E+02 2.41 0 11.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -411 Cds-CsCs_Cds-HH CsJ-CtCsCs 300-1500 1.62E+02 2.41 0 10.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -412 Cds-CsCs_Cds-HH CdsJ-H 300-1500 4.27E+03 2.41 0 4.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -413 Cds-CsCs_Cds-HH CdsJ-Cs 300-1500 2.26E+03 2.41 0 4.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -414 Cds-CsCs_Cds-HH CbJ 300-1500 6.74E+03 2.41 0 1.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -415 Cds-CsCs_Cds-CsH CsJ-HHH 300-1500 6.26E+03 2.41 0 7.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -416 Cds-CsCs_Cds-CsH CsJ-CsHH 300-1500 6.36E+02 2.41 0 7.16 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -417 Cds-CsCs_Cds-CsH CsJ-CsCsH 300-1500 5.10E+02 2.41 0 5.96 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -418 Cds-CsCs_Cds-CsH CsJ-CsCsCs 300-1500 3.78E+02 2.41 0 4.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -419 Cds-CsCs_Cds-CsH CsJ-CdHH 300-1500 6.61E+03 2.41 0 14.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -420 Cds-CsCs_Cds-CsH CsJ-CdCsH 300-1500 1.15E+03 2.41 0 13.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -421 Cds-CsCs_Cds-CsH CsJ-CdCsCs 300-1500 1.49E+02 2.41 0 12.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -422 Cds-CsCs_Cds-CsH CsJ-CdCdH 300-1500 2.32E+03 2.41 0 18.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -423 Cds-CsCs_Cds-CsH CsJ-CdCdCs 300-1500 7.93E+02 2.41 0 18.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -424 Cds-CsCs_Cds-CsH CsJ-CbHH 300-1500 3.07E+03 2.41 0 11.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -425 Cds-CsCs_Cds-CsH CsJ-CbCsH 300-1500 7.54E+02 2.41 0 10.99 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -426 Cds-CsCs_Cds-CsH CsJ-CbCsCs 300-1500 1.21E+02 2.41 0 10.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -427 Cds-CsCs_Cds-CsH CsJ-CtHH 300-1500 2.83E+03 2.41 0 11.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -428 Cds-CsCs_Cds-CsH CsJ-CtCsH 300-1500 6.39E+02 2.41 0 10.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -429 Cds-CsCs_Cds-CsH CsJ-CtCsCs 300-1500 1.63E+02 2.41 0 10.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -430 Cds-CsCs_Cds-CsH CdsJ-H 300-1500 4.29E+03 2.41 0 3.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -431 Cds-CsCs_Cds-CsH CdsJ-Cs 300-1500 2.27E+03 2.41 0 3.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -432 Cds-CsCs_Cds-CsH CbJ 300-1500 6.77E+03 2.41 0 1.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -433 Cds-CsCs_Cds-CsCs CsJ-HHH 300-1500 7.88E+03 2.41 0 7.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -434 Cds-CsCs_Cds-CsCs CsJ-CsHH 300-1500 8.01E+02 2.41 0 6.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -435 Cds-CsCs_Cds-CsCs CsJ-CsCsH 300-1500 6.42E+02 2.41 0 5.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -436 Cds-CsCs_Cds-CsCs CsJ-CsCsCs 300-1500 4.76E+02 2.41 0 4.16 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -437 Cds-CsCs_Cds-CsCs CsJ-CdHH 300-1500 8.32E+03 2.41 0 13.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -438 Cds-CsCs_Cds-CsCs CsJ-CdCsH 300-1500 1.45E+03 2.41 0 13.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -439 Cds-CsCs_Cds-CsCs CsJ-CdCsCs 300-1500 1.87E+02 2.41 0 12.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -440 Cds-CsCs_Cds-CsCs CsJ-CdCdH 300-1500 2.92E+03 2.41 0 18.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -441 Cds-CsCs_Cds-CsCs CsJ-CdCdCs 300-1500 9.97E+02 2.41 0 17.99 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -442 Cds-CsCs_Cds-CsCs CsJ-CbHH 300-1500 3.86E+03 2.41 0 11.31 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -443 Cds-CsCs_Cds-CsCs CsJ-CbCsH 300-1500 9.49E+02 2.41 0 10.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -444 Cds-CsCs_Cds-CsCs CsJ-CbCsCs 300-1500 1.52E+02 2.41 0 10.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -445 Cds-CsCs_Cds-CsCs CsJ-CtHH 300-1500 3.57E+03 2.41 0 11.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -446 Cds-CsCs_Cds-CsCs CsJ-CtCsH 300-1500 8.04E+02 2.41 0 10.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -447 Cds-CsCs_Cds-CsCs CsJ-CtCsCs 300-1500 2.05E+02 2.41 0 9.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -448 Cds-CsCs_Cds-CsCs CdsJ-H 300-1500 5.39E+03 2.41 0 3.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -449 Cds-CsCs_Cds-CsCs CdsJ-Cs 300-1500 2.86E+03 2.41 0 3.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -450 Cds-CsCs_Cds-CsCs CbJ 300-1500 8.52E+03 2.41 0 1.13 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -451 Cds-CsCs_Cds-CdH CsJ-HHH 300-1500 7.03E+03 2.41 0 4.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -452 Cds-CsCs_Cds-CdH CsJ-CsHH 300-1500 7.14E+02 2.41 0 4.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -453 Cds-CsCs_Cds-CdH CsJ-CsCsH 300-1500 5.73E+02 2.41 0 3.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -454 Cds-CsCs_Cds-CdH CsJ-CsCsCs 300-1500 4.25E+02 2.41 0 1.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -455 Cds-CsCs_Cds-CdH CsJ-CdHH 300-1500 7.42E+03 2.41 0 11.22 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -456 Cds-CsCs_Cds-CdH CsJ-CdCsH 300-1500 1.29E+03 2.41 0 10.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -457 Cds-CsCs_Cds-CdH CsJ-CdCsCs 300-1500 1.67E+02 2.41 0 10.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -458 Cds-CsCs_Cds-CdH CsJ-CdCdH 300-1500 2.61E+03 2.41 0 15.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -459 Cds-CsCs_Cds-CdH CsJ-CdCdCs 300-1500 8.90E+02 2.41 0 15.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -460 Cds-CsCs_Cds-CdH CsJ-CbHH 300-1500 3.44E+03 2.41 0 8.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -461 Cds-CsCs_Cds-CdH CsJ-CbCsH 300-1500 8.47E+02 2.41 0 8.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -462 Cds-CsCs_Cds-CdH CsJ-CbCsCs 300-1500 1.35E+02 2.41 0 7.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -463 Cds-CsCs_Cds-CdH CsJ-CtHH 300-1500 3.18E+03 2.41 0 8.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -464 Cds-CsCs_Cds-CdH CsJ-CtCsH 300-1500 7.17E+02 2.41 0 8.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -465 Cds-CsCs_Cds-CdH CsJ-CtCsCs 300-1500 1.83E+02 2.41 0 7.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -466 Cds-CsCs_Cds-CdH CdsJ-H 300-1500 4.81E+03 2.41 0 1.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -467 Cds-CsCs_Cds-CdH CdsJ-Cs 300-1500 2.55E+03 2.41 0 0.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -468 Cds-CsCs_Cds-CdH CbJ 300-1500 7.60E+03 2.41 0 -1.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -469 Cds-CsCs_Cds-CdCs CsJ-HHH 300-1500 7.98E+03 2.41 0 4.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -470 Cds-CsCs_Cds-CdCs CsJ-CsHH 300-1500 8.11E+02 2.41 0 3.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -471 Cds-CsCs_Cds-CdCs CsJ-CsCsH 300-1500 6.50E+02 2.41 0 2.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -472 Cds-CsCs_Cds-CdCs CsJ-CsCsCs 300-1500 4.82E+02 2.41 0 1.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -473 Cds-CsCs_Cds-CdCs CsJ-CdHH 300-1500 8.43E+03 2.41 0 10.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -474 Cds-CsCs_Cds-CdCs CsJ-CdCsH 300-1500 1.47E+03 2.41 0 10.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -475 Cds-CsCs_Cds-CdCs CsJ-CdCsCs 300-1500 1.90E+02 2.41 0 9.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -476 Cds-CsCs_Cds-CdCs CsJ-CdCdH 300-1500 2.96E+03 2.41 0 15.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -477 Cds-CsCs_Cds-CdCs CsJ-CdCdCs 300-1500 1.01E+03 2.41 0 15.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -478 Cds-CsCs_Cds-CdCs CsJ-CbHH 300-1500 3.91E+03 2.41 0 8.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -479 Cds-CsCs_Cds-CdCs CsJ-CbCsH 300-1500 9.61E+02 2.41 0 7.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -480 Cds-CsCs_Cds-CdCs CsJ-CbCsCs 300-1500 1.54E+02 2.41 0 7.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -481 Cds-CsCs_Cds-CdCs CsJ-CtHH 300-1500 3.61E+03 2.41 0 8.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -482 Cds-CsCs_Cds-CdCs CsJ-CtCsH 300-1500 8.14E+02 2.41 0 7.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -483 Cds-CsCs_Cds-CdCs CsJ-CtCsCs 300-1500 2.08E+02 2.41 0 7.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -484 Cds-CsCs_Cds-CdCs CdsJ-H 300-1500 5.46E+03 2.41 0 0.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -485 Cds-CsCs_Cds-CdCs CdsJ-Cs 300-1500 2.90E+03 2.41 0 0.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -486 Cds-CsCs_Cds-CdCs CbJ 300-1500 8.63E+03 2.41 0 -1.70 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -487 Cds-CsCs_Cds-CdCd CsJ-HHH 300-1500 2.43E+04 2.41 0 3.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -488 Cds-CsCs_Cds-CdCd CsJ-CsHH 300-1500 2.47E+03 2.41 0 3.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -489 Cds-CsCs_Cds-CdCd CsJ-CsCsH 300-1500 1.98E+03 2.41 0 1.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -490 Cds-CsCs_Cds-CdCd CsJ-CsCsCs 300-1500 1.47E+03 2.41 0 0.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -491 Cds-CsCs_Cds-CdCd CsJ-CdHH 300-1500 2.57E+04 2.41 0 9.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -492 Cds-CsCs_Cds-CdCd CsJ-CdCsH 300-1500 4.47E+03 2.41 0 9.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -493 Cds-CsCs_Cds-CdCd CsJ-CdCsCs 300-1500 5.78E+02 2.41 0 8.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -494 Cds-CsCs_Cds-CdCd CsJ-CdCdH 300-1500 9.02E+03 2.41 0 14.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -495 Cds-CsCs_Cds-CdCd CsJ-CdCdCs 300-1500 3.08E+03 2.41 0 14.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -496 Cds-CsCs_Cds-CdCd CsJ-CbHH 300-1500 1.19E+04 2.41 0 7.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -497 Cds-CsCs_Cds-CdCd CsJ-CbCsH 300-1500 2.93E+03 2.41 0 6.88 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -498 Cds-CsCs_Cds-CdCd CsJ-CbCsCs 300-1500 4.68E+02 2.41 0 6.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -499 Cds-CsCs_Cds-CdCd CsJ-CtHH 300-1500 1.10E+04 2.41 0 7.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -500 Cds-CsCs_Cds-CdCd CsJ-CtCsH 300-1500 2.48E+03 2.41 0 6.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -501 Cds-CsCs_Cds-CdCd CsJ-CtCsCs 300-1500 6.33E+02 2.41 0 6.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -502 Cds-CsCs_Cds-CdCd CdsJ-H 300-1500 1.66E+04 2.41 0 -0.22 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -503 Cds-CsCs_Cds-CdCd CdsJ-Cs 300-1500 8.83E+03 2.41 0 -0.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -504 Cds-CsCs_Cds-CdCd CbJ 300-1500 2.63E+04 2.41 0 -2.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -505 Cds-CsCs_Cds-CbH CsJ-HHH 300-1500 2.30E+03 2.41 0 6.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -506 Cds-CsCs_Cds-CbH CsJ-CsHH 300-1500 2.33E+02 2.41 0 6.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -507 Cds-CsCs_Cds-CbH CsJ-CsCsH 300-1500 1.87E+02 2.41 0 4.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -508 Cds-CsCs_Cds-CbH CsJ-CsCsCs 300-1500 1.39E+02 2.41 0 3.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -509 Cds-CsCs_Cds-CbH CsJ-CdHH 300-1500 2.42E+03 2.41 0 12.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -510 Cds-CsCs_Cds-CbH CsJ-CdCsH 300-1500 4.22E+02 2.41 0 12.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -511 Cds-CsCs_Cds-CbH CsJ-CdCsCs 300-1500 5.46E+01 2.41 0 11.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -512 Cds-CsCs_Cds-CbH CsJ-CdCdH 300-1500 8.51E+02 2.41 0 17.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -513 Cds-CsCs_Cds-CbH CsJ-CdCdCs 300-1500 2.91E+02 2.41 0 17.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -514 Cds-CsCs_Cds-CbH CsJ-CbHH 300-1500 1.12E+03 2.41 0 10.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -515 Cds-CsCs_Cds-CbH CsJ-CbCsH 300-1500 2.76E+02 2.41 0 9.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -516 Cds-CsCs_Cds-CbH CsJ-CbCsCs 300-1500 4.42E+01 2.41 0 9.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -517 Cds-CsCs_Cds-CbH CsJ-CtHH 300-1500 1.04E+03 2.41 0 10.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -518 Cds-CsCs_Cds-CbH CsJ-CtCsH 300-1500 2.34E+02 2.41 0 9.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -519 Cds-CsCs_Cds-CbH CsJ-CtCsCs 300-1500 5.97E+01 2.41 0 9.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -520 Cds-CsCs_Cds-CbH CdsJ-H 300-1500 1.57E+03 2.41 0 2.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -521 Cds-CsCs_Cds-CbH CdsJ-Cs 300-1500 8.33E+02 2.41 0 2.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -522 Cds-CsCs_Cds-CbH CbJ 300-1500 2.48E+03 2.41 0 0.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -523 Cds-CsCs_Cds-CbCs CsJ-HHH 300-1500 4.87E+03 2.41 0 6.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -524 Cds-CsCs_Cds-CbCs CsJ-CsHH 300-1500 4.95E+02 2.41 0 5.96 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -525 Cds-CsCs_Cds-CbCs CsJ-CsCsH 300-1500 3.97E+02 2.41 0 4.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -526 Cds-CsCs_Cds-CbCs CsJ-CsCsCs 300-1500 2.94E+02 2.41 0 3.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -527 Cds-CsCs_Cds-CbCs CsJ-CdHH 300-1500 5.14E+03 2.41 0 12.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -528 Cds-CsCs_Cds-CbCs CsJ-CdCsH 300-1500 8.95E+02 2.41 0 12.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -529 Cds-CsCs_Cds-CbCs CsJ-CdCsCs 300-1500 1.16E+02 2.41 0 11.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -530 Cds-CsCs_Cds-CbCs CsJ-CdCdH 300-1500 1.80E+03 2.41 0 17.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -531 Cds-CsCs_Cds-CbCs CsJ-CdCdCs 300-1500 6.16E+02 2.41 0 17.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -532 Cds-CsCs_Cds-CbCs CsJ-CbHH 300-1500 2.38E+03 2.41 0 10.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -533 Cds-CsCs_Cds-CbCs CsJ-CbCsH 300-1500 5.86E+02 2.41 0 9.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -534 Cds-CsCs_Cds-CbCs CsJ-CbCsCs 300-1500 9.38E+01 2.41 0 9.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -535 Cds-CsCs_Cds-CbCs CsJ-CtHH 300-1500 2.20E+03 2.41 0 10.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -536 Cds-CsCs_Cds-CbCs CsJ-CtCsH 300-1500 4.97E+02 2.41 0 9.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -537 Cds-CsCs_Cds-CbCs CsJ-CtCsCs 300-1500 1.27E+02 2.41 0 9.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -538 Cds-CsCs_Cds-CbCs CdsJ-H 300-1500 3.33E+03 2.41 0 2.70 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -539 Cds-CsCs_Cds-CbCs CdsJ-Cs 300-1500 1.77E+03 2.41 0 2.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -540 Cds-CsCs_Cds-CbCs CbJ 300-1500 5.26E+03 2.41 0 0.31 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -541 Cds-CsCs_Cds-CtH CsJ-HHH 300-1500 9.12E+03 2.41 0 4.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -542 Cds-CsCs_Cds-CtH CsJ-CsHH 300-1500 9.26E+02 2.41 0 4.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -543 Cds-CsCs_Cds-CtH CsJ-CsCsH 300-1500 7.43E+02 2.41 0 3.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -544 Cds-CsCs_Cds-CtH CsJ-CsCsCs 300-1500 5.50E+02 2.41 0 1.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -545 Cds-CsCs_Cds-CtH CsJ-CdHH 300-1500 9.62E+03 2.41 0 11.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -546 Cds-CsCs_Cds-CtH CsJ-CdCsH 300-1500 1.68E+03 2.41 0 10.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -547 Cds-CsCs_Cds-CtH CsJ-CdCsCs 300-1500 2.17E+02 2.41 0 9.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -548 Cds-CsCs_Cds-CtH CsJ-CdCdH 300-1500 3.38E+03 2.41 0 15.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -549 Cds-CsCs_Cds-CtH CsJ-CdCdCs 300-1500 1.15E+03 2.41 0 15.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -550 Cds-CsCs_Cds-CtH CsJ-CbHH 300-1500 4.46E+03 2.41 0 8.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -551 Cds-CsCs_Cds-CtH CsJ-CbCsH 300-1500 1.10E+03 2.41 0 8.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -552 Cds-CsCs_Cds-CtH CsJ-CbCsCs 300-1500 1.76E+02 2.41 0 7.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -553 Cds-CsCs_Cds-CtH CsJ-CtHH 300-1500 4.12E+03 2.41 0 8.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -554 Cds-CsCs_Cds-CtH CsJ-CtCsH 300-1500 9.30E+02 2.41 0 8.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -555 Cds-CsCs_Cds-CtH CsJ-CtCsCs 300-1500 2.37E+02 2.41 0 7.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -556 Cds-CsCs_Cds-CtH CdsJ-H 300-1500 6.24E+03 2.41 0 0.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -557 Cds-CsCs_Cds-CtH CdsJ-Cs 300-1500 3.31E+03 2.41 0 0.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -558 Cds-CsCs_Cds-CtH CbJ 300-1500 9.86E+03 2.41 0 -1.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -559 Cds-CsCs_Cds-CtCs CsJ-HHH 300-1500 9.33E+03 2.41 0 4.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -560 Cds-CsCs_Cds-CtCs CsJ-CsHH 300-1500 9.48E+02 2.41 0 4.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -561 Cds-CsCs_Cds-CtCs CsJ-CsCsH 300-1500 7.61E+02 2.41 0 2.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -562 Cds-CsCs_Cds-CtCs CsJ-CsCsCs 300-1500 5.63E+02 2.41 0 1.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -563 Cds-CsCs_Cds-CtCs CsJ-CdHH 300-1500 9.85E+03 2.41 0 10.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -564 Cds-CsCs_Cds-CtCs CsJ-CdCsH 300-1500 1.72E+03 2.41 0 10.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -565 Cds-CsCs_Cds-CtCs CsJ-CdCsCs 300-1500 2.22E+02 2.41 0 9.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -566 Cds-CsCs_Cds-CtCs CsJ-CdCdH 300-1500 3.46E+03 2.41 0 15.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -567 Cds-CsCs_Cds-CtCs CsJ-CdCdCs 300-1500 1.18E+03 2.41 0 15.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -568 Cds-CsCs_Cds-CtCs CsJ-CbHH 300-1500 4.57E+03 2.41 0 8.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -569 Cds-CsCs_Cds-CtCs CsJ-CbCsH 300-1500 1.12E+03 2.41 0 7.96 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -570 Cds-CsCs_Cds-CtCs CsJ-CbCsCs 300-1500 1.80E+02 2.41 0 7.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -571 Cds-CsCs_Cds-CtCs CsJ-CtHH 300-1500 4.22E+03 2.41 0 8.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -572 Cds-CsCs_Cds-CtCs CsJ-CtCsH 300-1500 9.52E+02 2.41 0 7.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -573 Cds-CsCs_Cds-CtCs CsJ-CtCsCs 300-1500 2.43E+02 2.41 0 7.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -574 Cds-CsCs_Cds-CtCs CdsJ-H 300-1500 6.39E+03 2.41 0 0.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -575 Cds-CsCs_Cds-CtCs CdsJ-Cs 300-1500 3.39E+03 2.41 0 0.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -576 Cds-CsCs_Cds-CtCs CbJ 300-1500 1.01E+04 2.41 0 -1.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -577 Cds-CsCs_Ca CsJ-HHH 300-1500 6.74E+03 2.41 0 8.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -578 Cds-CsCs_Ca CsJ-CsHH 300-1500 6.84E+02 2.41 0 8.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -579 Cds-CsCs_Ca CsJ-CsCsH 300-1500 5.49E+02 2.41 0 6.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -580 Cds-CsCs_Ca CsJ-CsCsCs 300-1500 4.07E+02 2.41 0 5.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -581 Cds-CsCs_Ca CsJ-CdHH 300-1500 7.11E+03 2.41 0 14.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -582 Cds-CsCs_Ca CsJ-CdCsH 300-1500 1.24E+03 2.41 0 14.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -583 Cds-CsCs_Ca CsJ-CdCsCs 300-1500 1.60E+02 2.41 0 13.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -584 Cds-CsCs_Ca CsJ-CdCdH 300-1500 2.50E+03 2.41 0 19.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -585 Cds-CsCs_Ca CsJ-CdCdCs 300-1500 8.52E+02 2.41 0 19.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -586 Cds-CsCs_Ca CsJ-CbHH 300-1500 3.30E+03 2.41 0 12.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -587 Cds-CsCs_Ca CsJ-CbCsH 300-1500 8.11E+02 2.41 0 11.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -588 Cds-CsCs_Ca CsJ-CbCsCs 300-1500 1.30E+02 2.41 0 11.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -589 Cds-CsCs_Ca CsJ-CtHH 300-1500 3.05E+03 2.41 0 12.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -590 Cds-CsCs_Ca CsJ-CtCsH 300-1500 6.87E+02 2.41 0 11.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -591 Cds-CsCs_Ca CsJ-CtCsCs 300-1500 1.75E+02 2.41 0 11.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -592 Cds-CsCs_Ca CdsJ-H 300-1500 4.61E+03 2.41 0 4.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -593 Cds-CsCs_Ca CdsJ-Cs 300-1500 2.44E+03 2.41 0 4.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -594 Cds-CsCs_Ca CbJ 300-1500 7.28E+03 2.41 0 2.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -595 Cds-CdH_Cds-HH CsJ-HHH 300-1500 1.32E+04 2.41 0 7.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -596 Cds-CdH_Cds-HH CsJ-CsHH 300-1500 1.34E+03 2.41 0 6.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -597 Cds-CdH_Cds-HH CsJ-CsCsH 300-1500 1.08E+03 2.41 0 5.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -598 Cds-CdH_Cds-HH CsJ-CsCsCs 300-1500 7.98E+02 2.41 0 3.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -599 Cds-CdH_Cds-HH CsJ-CdHH 300-1500 1.40E+04 2.41 0 13.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -600 Cds-CdH_Cds-HH CsJ-CdCsH 300-1500 2.43E+03 2.41 0 13.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -601 Cds-CdH_Cds-HH CsJ-CdCsCs 300-1500 3.14E+02 2.41 0 12.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -602 Cds-CdH_Cds-HH CsJ-CdCdH 300-1500 4.90E+03 2.41 0 17.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -603 Cds-CdH_Cds-HH CsJ-CdCdCs 300-1500 1.67E+03 2.41 0 17.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -604 Cds-CdH_Cds-HH CsJ-CbHH 300-1500 6.47E+03 2.41 0 11.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -605 Cds-CdH_Cds-HH CsJ-CbCsH 300-1500 1.59E+03 2.41 0 10.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -606 Cds-CdH_Cds-HH CsJ-CbCsCs 300-1500 2.55E+02 2.41 0 9.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -607 Cds-CdH_Cds-HH CsJ-CtHH 300-1500 5.98E+03 2.41 0 10.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -608 Cds-CdH_Cds-HH CsJ-CtCsH 300-1500 1.35E+03 2.41 0 10.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -609 Cds-CdH_Cds-HH CsJ-CtCsCs 300-1500 3.44E+02 2.41 0 9.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -610 Cds-CdH_Cds-HH CdsJ-H 300-1500 9.05E+03 2.41 0 3.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -611 Cds-CdH_Cds-HH CdsJ-Cs 300-1500 4.80E+03 2.41 0 3.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -612 Cds-CdH_Cds-HH CbJ 300-1500 1.43E+04 2.41 0 0.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -613 Cds-CdH_Cds-CsH CsJ-HHH 300-1500 1.33E+04 2.41 0 6.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -614 Cds-CdH_Cds-CsH CsJ-CsHH 300-1500 1.35E+03 2.41 0 6.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -615 Cds-CdH_Cds-CsH CsJ-CsCsH 300-1500 1.08E+03 2.41 0 4.99 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -616 Cds-CdH_Cds-CsH CsJ-CsCsCs 300-1500 8.01E+02 2.41 0 3.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -617 Cds-CdH_Cds-CsH CsJ-CdHH 300-1500 1.40E+04 2.41 0 13.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -618 Cds-CdH_Cds-CsH CsJ-CdCsH 300-1500 2.44E+03 2.41 0 12.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -619 Cds-CdH_Cds-CsH CsJ-CdCsCs 300-1500 3.16E+02 2.41 0 11.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -620 Cds-CdH_Cds-CsH CsJ-CdCdH 300-1500 4.92E+03 2.41 0 17.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -621 Cds-CdH_Cds-CsH CsJ-CdCdCs 300-1500 1.68E+03 2.41 0 17.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -622 Cds-CdH_Cds-CsH CsJ-CbHH 300-1500 6.50E+03 2.41 0 10.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -623 Cds-CdH_Cds-CsH CsJ-CbCsH 300-1500 1.60E+03 2.41 0 10.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -624 Cds-CdH_Cds-CsH CsJ-CbCsCs 300-1500 2.56E+02 2.41 0 9.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -625 Cds-CdH_Cds-CsH CsJ-CtHH 300-1500 6.01E+03 2.41 0 10.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -626 Cds-CdH_Cds-CsH CsJ-CtCsH 300-1500 1.35E+03 2.41 0 10.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -627 Cds-CdH_Cds-CsH CsJ-CtCsCs 300-1500 3.46E+02 2.41 0 9.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -628 Cds-CdH_Cds-CsH CdsJ-H 300-1500 9.09E+03 2.41 0 2.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -629 Cds-CdH_Cds-CsH CdsJ-Cs 300-1500 4.82E+03 2.41 0 2.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -630 Cds-CdH_Cds-CsH CbJ 300-1500 1.44E+04 2.41 0 0.54 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -631 Cds-CdH_Cds-CsCs CsJ-HHH 300-1500 1.67E+04 2.41 0 6.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -632 Cds-CdH_Cds-CsCs CsJ-CsHH 300-1500 1.70E+03 2.41 0 5.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -633 Cds-CdH_Cds-CsCs CsJ-CsCsH 300-1500 1.36E+03 2.41 0 4.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -634 Cds-CdH_Cds-CsCs CsJ-CsCsCs 300-1500 1.01E+03 2.41 0 3.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -635 Cds-CdH_Cds-CsCs CsJ-CdHH 300-1500 1.76E+04 2.41 0 12.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -636 Cds-CdH_Cds-CsCs CsJ-CdCsH 300-1500 3.07E+03 2.41 0 12.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -637 Cds-CdH_Cds-CsCs CsJ-CdCsCs 300-1500 3.97E+02 2.41 0 11.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -638 Cds-CdH_Cds-CsCs CsJ-CdCdH 300-1500 6.19E+03 2.41 0 17.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -639 Cds-CdH_Cds-CsCs CsJ-CdCdCs 300-1500 2.11E+03 2.41 0 17.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -640 Cds-CdH_Cds-CsCs CsJ-CbHH 300-1500 8.18E+03 2.41 0 10.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -641 Cds-CdH_Cds-CsCs CsJ-CbCsH 300-1500 2.01E+03 2.41 0 9.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -642 Cds-CdH_Cds-CsCs CsJ-CbCsCs 300-1500 3.22E+02 2.41 0 9.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -643 Cds-CdH_Cds-CsCs CsJ-CtHH 300-1500 7.56E+03 2.41 0 10.08 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -644 Cds-CdH_Cds-CsCs CsJ-CtCsH 300-1500 1.70E+03 2.41 0 9.62 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -645 Cds-CdH_Cds-CsCs CsJ-CtCsCs 300-1500 4.35E+02 2.41 0 8.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -646 Cds-CdH_Cds-CsCs CdsJ-H 300-1500 1.14E+04 2.41 0 2.54 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -647 Cds-CdH_Cds-CsCs CdsJ-Cs 300-1500 6.06E+03 2.41 0 2.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -648 Cds-CdH_Cds-CsCs CbJ 300-1500 1.81E+04 2.41 0 0.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -649 Cds-CdH_Cds-CdH CsJ-HHH 300-1500 1.49E+04 2.41 0 3.96 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -650 Cds-CdH_Cds-CdH CsJ-CsHH 300-1500 1.51E+03 2.41 0 3.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -651 Cds-CdH_Cds-CdH CsJ-CsCsH 300-1500 1.21E+03 2.41 0 2.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -652 Cds-CdH_Cds-CdH CsJ-CsCsCs 300-1500 9.00E+02 2.41 0 0.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -653 Cds-CdH_Cds-CdH CsJ-CdHH 300-1500 1.57E+04 2.41 0 10.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -654 Cds-CdH_Cds-CdH CsJ-CdCsH 300-1500 2.74E+03 2.41 0 10.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -655 Cds-CdH_Cds-CdH CsJ-CdCsCs 300-1500 3.54E+02 2.41 0 9.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -656 Cds-CdH_Cds-CdH CsJ-CdCdH 300-1500 5.53E+03 2.41 0 14.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -657 Cds-CdH_Cds-CdH CsJ-CdCdCs 300-1500 1.89E+03 2.41 0 14.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -658 Cds-CdH_Cds-CdH CsJ-CbHH 300-1500 7.30E+03 2.41 0 7.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -659 Cds-CdH_Cds-CdH CsJ-CbCsH 300-1500 1.79E+03 2.41 0 7.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -660 Cds-CdH_Cds-CdH CsJ-CbCsCs 300-1500 2.87E+02 2.41 0 6.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -661 Cds-CdH_Cds-CdH CsJ-CtHH 300-1500 6.75E+03 2.41 0 7.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -662 Cds-CdH_Cds-CdH CsJ-CtCsH 300-1500 1.52E+03 2.41 0 7.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -663 Cds-CdH_Cds-CdH CsJ-CtCsCs 300-1500 3.88E+02 2.41 0 6.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -664 Cds-CdH_Cds-CdH CdsJ-H 300-1500 1.02E+04 2.41 0 0.13 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -665 Cds-CdH_Cds-CdH CdsJ-Cs 300-1500 5.41E+03 2.41 0 -0.08 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -666 Cds-CdH_Cds-CdH CbJ 300-1500 1.61E+04 2.41 0 -2.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -667 Cds-CdH_Cds-CdCs CsJ-HHH 300-1500 1.69E+04 2.41 0 3.54 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -668 Cds-CdH_Cds-CdCs CsJ-CsHH 300-1500 1.72E+03 2.41 0 2.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -669 Cds-CdH_Cds-CdCs CsJ-CsCsH 300-1500 1.38E+03 2.41 0 1.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -670 Cds-CdH_Cds-CdCs CsJ-CsCsCs 300-1500 1.02E+03 2.41 0 0.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -671 Cds-CdH_Cds-CdCs CsJ-CdHH 300-1500 1.79E+04 2.41 0 9.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -672 Cds-CdH_Cds-CdCs CsJ-CdCsH 300-1500 3.11E+03 2.41 0 9.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -673 Cds-CdH_Cds-CdCs CsJ-CdCsCs 300-1500 4.02E+02 2.41 0 8.62 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -674 Cds-CdH_Cds-CdCs CsJ-CdCdH 300-1500 6.27E+03 2.41 0 14.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -675 Cds-CdH_Cds-CdCs CsJ-CdCdCs 300-1500 2.14E+03 2.41 0 14.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -676 Cds-CdH_Cds-CdCs CsJ-CbHH 300-1500 8.28E+03 2.41 0 7.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -677 Cds-CdH_Cds-CdCs CsJ-CbCsH 300-1500 2.04E+03 2.41 0 6.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -678 Cds-CdH_Cds-CdCs CsJ-CbCsCs 300-1500 3.26E+02 2.41 0 6.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -679 Cds-CdH_Cds-CdCs CsJ-CtHH 300-1500 7.66E+03 2.41 0 7.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -680 Cds-CdH_Cds-CdCs CsJ-CtCsH 300-1500 1.73E+03 2.41 0 6.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -681 Cds-CdH_Cds-CdCs CsJ-CtCsCs 300-1500 4.40E+02 2.41 0 6.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -682 Cds-CdH_Cds-CdCs CdsJ-H 300-1500 1.16E+04 2.41 0 -0.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -683 Cds-CdH_Cds-CdCs CdsJ-Cs 300-1500 6.14E+03 2.41 0 -0.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -684 Cds-CdH_Cds-CdCs CbJ 300-1500 1.83E+04 2.41 0 -2.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -685 Cds-CdH_Cds-CdCd CsJ-HHH 300-1500 5.16E+04 2.41 0 2.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -686 Cds-CdH_Cds-CdCd CsJ-CsHH 300-1500 5.24E+03 2.41 0 2.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -687 Cds-CdH_Cds-CdCd CsJ-CsCsH 300-1500 4.20E+03 2.41 0 0.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -688 Cds-CdH_Cds-CdCd CsJ-CsCsCs 300-1500 3.11E+03 2.41 0 -0.54 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -689 Cds-CdH_Cds-CdCd CsJ-CdHH 300-1500 5.44E+04 2.41 0 8.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -690 Cds-CdH_Cds-CdCd CsJ-CdCsH 300-1500 9.48E+03 2.41 0 8.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -691 Cds-CdH_Cds-CdCd CsJ-CdCsCs 300-1500 1.23E+03 2.41 0 7.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -692 Cds-CdH_Cds-CdCd CsJ-CdCdH 300-1500 1.91E+04 2.41 0 13.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -693 Cds-CdH_Cds-CdCd CsJ-CdCdCs 300-1500 6.53E+03 2.41 0 13.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -694 Cds-CdH_Cds-CdCd CsJ-CbHH 300-1500 2.52E+04 2.41 0 6.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -695 Cds-CdH_Cds-CdCd CsJ-CbCsH 300-1500 6.21E+03 2.41 0 5.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -696 Cds-CdH_Cds-CdCd CsJ-CbCsCs 300-1500 9.93E+02 2.41 0 5.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -697 Cds-CdH_Cds-CdCd CsJ-CtHH 300-1500 2.33E+04 2.41 0 6.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -698 Cds-CdH_Cds-CdCd CsJ-CtCsH 300-1500 5.26E+03 2.41 0 5.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -699 Cds-CdH_Cds-CdCd CsJ-CtCsCs 300-1500 1.34E+03 2.41 0 5.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -700 Cds-CdH_Cds-CdCd CdsJ-H 300-1500 3.53E+04 2.41 0 -1.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -701 Cds-CdH_Cds-CdCd CdsJ-Cs 300-1500 1.87E+04 2.41 0 -1.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -702 Cds-CdH_Cds-CdCd CbJ 300-1500 5.57E+04 2.41 0 -3.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -703 Cds-CdH_Cds-CbH CsJ-HHH 300-1500 4.87E+03 2.41 0 5.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -704 Cds-CdH_Cds-CbH CsJ-CsHH 300-1500 4.94E+02 2.41 0 5.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -705 Cds-CdH_Cds-CbH CsJ-CsCsH 300-1500 3.97E+02 2.41 0 3.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -706 Cds-CdH_Cds-CbH CsJ-CsCsCs 300-1500 2.94E+02 2.41 0 2.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -707 Cds-CdH_Cds-CbH CsJ-CdHH 300-1500 5.14E+03 2.41 0 12.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -708 Cds-CdH_Cds-CbH CsJ-CdCsH 300-1500 8.95E+02 2.41 0 11.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -709 Cds-CdH_Cds-CbH CsJ-CdCsCs 300-1500 1.16E+02 2.41 0 10.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -710 Cds-CdH_Cds-CbH CsJ-CdCdH 300-1500 1.80E+03 2.41 0 16.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -711 Cds-CdH_Cds-CbH CsJ-CdCdCs 300-1500 6.16E+02 2.41 0 16.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -712 Cds-CdH_Cds-CbH CsJ-CbHH 300-1500 2.38E+03 2.41 0 9.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -713 Cds-CdH_Cds-CbH CsJ-CbCsH 300-1500 5.86E+02 2.41 0 8.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -714 Cds-CdH_Cds-CbH CsJ-CbCsCs 300-1500 9.37E+01 2.41 0 8.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -715 Cds-CdH_Cds-CbH CsJ-CtHH 300-1500 2.20E+03 2.41 0 9.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -716 Cds-CdH_Cds-CbH CsJ-CtCsH 300-1500 4.96E+02 2.41 0 8.96 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -717 Cds-CdH_Cds-CbH CsJ-CtCsCs 300-1500 1.27E+02 2.41 0 8.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -718 Cds-CdH_Cds-CbH CdsJ-H 300-1500 3.33E+03 2.41 0 1.88 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -719 Cds-CdH_Cds-CbH CdsJ-Cs 300-1500 1.77E+03 2.41 0 1.67 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -720 Cds-CdH_Cds-CbH CbJ 300-1500 5.26E+03 2.41 0 -0.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -721 Cds-CdH_Cds-CbCs CsJ-HHH 300-1500 1.03E+04 2.41 0 5.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -722 Cds-CdH_Cds-CbCs CsJ-CsHH 300-1500 1.05E+03 2.41 0 4.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -723 Cds-CdH_Cds-CbCs CsJ-CsCsH 300-1500 8.41E+02 2.41 0 3.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -724 Cds-CdH_Cds-CbCs CsJ-CsCsCs 300-1500 6.23E+02 2.41 0 2.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -725 Cds-CdH_Cds-CbCs CsJ-CdHH 300-1500 1.09E+04 2.41 0 11.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -726 Cds-CdH_Cds-CbCs CsJ-CdCsH 300-1500 1.90E+03 2.41 0 11.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -727 Cds-CdH_Cds-CbCs CsJ-CdCsCs 300-1500 2.45E+02 2.41 0 10.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -728 Cds-CdH_Cds-CbCs CsJ-CdCdH 300-1500 3.83E+03 2.41 0 16.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -729 Cds-CdH_Cds-CbCs CsJ-CdCdCs 300-1500 1.31E+03 2.41 0 16.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -730 Cds-CdH_Cds-CbCs CsJ-CbHH 300-1500 5.05E+03 2.41 0 9.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -731 Cds-CdH_Cds-CbCs CsJ-CbCsH 300-1500 1.24E+03 2.41 0 8.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -732 Cds-CdH_Cds-CbCs CsJ-CbCsCs 300-1500 1.99E+02 2.41 0 8.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -733 Cds-CdH_Cds-CbCs CsJ-CtHH 300-1500 4.67E+03 2.41 0 9.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -734 Cds-CdH_Cds-CbCs CsJ-CtCsH 300-1500 1.05E+03 2.41 0 8.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -735 Cds-CdH_Cds-CbCs CsJ-CtCsCs 300-1500 2.69E+02 2.41 0 8.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -736 Cds-CdH_Cds-CbCs CdsJ-H 300-1500 7.06E+03 2.41 0 1.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -737 Cds-CdH_Cds-CbCs CdsJ-Cs 300-1500 3.74E+03 2.41 0 1.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -738 Cds-CdH_Cds-CbCs CbJ 300-1500 1.12E+04 2.41 0 -0.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -739 Cds-CdH_Cds-CtH CsJ-HHH 300-1500 1.93E+04 2.41 0 3.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -740 Cds-CdH_Cds-CtH CsJ-CsHH 300-1500 1.96E+03 2.41 0 3.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -741 Cds-CdH_Cds-CtH CsJ-CsCsH 300-1500 1.57E+03 2.41 0 2.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -742 Cds-CdH_Cds-CtH CsJ-CsCsCs 300-1500 1.17E+03 2.41 0 0.62 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -743 Cds-CdH_Cds-CtH CsJ-CdHH 300-1500 2.04E+04 2.41 0 10.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -744 Cds-CdH_Cds-CtH CsJ-CdCsH 300-1500 3.55E+03 2.41 0 9.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -745 Cds-CdH_Cds-CtH CsJ-CdCsCs 300-1500 4.60E+02 2.41 0 8.88 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -746 Cds-CdH_Cds-CtH CsJ-CdCdH 300-1500 7.16E+03 2.41 0 14.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -747 Cds-CdH_Cds-CtH CsJ-CdCdCs 300-1500 2.45E+03 2.41 0 14.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -748 Cds-CdH_Cds-CtH CsJ-CbHH 300-1500 9.46E+03 2.41 0 7.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -749 Cds-CdH_Cds-CtH CsJ-CbCsH 300-1500 2.33E+03 2.41 0 7.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -750 Cds-CdH_Cds-CtH CsJ-CbCsCs 300-1500 3.72E+02 2.41 0 6.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -751 Cds-CdH_Cds-CtH CsJ-CtHH 300-1500 8.74E+03 2.41 0 7.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -752 Cds-CdH_Cds-CtH CsJ-CtCsH 300-1500 1.97E+03 2.41 0 7.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -753 Cds-CdH_Cds-CtH CsJ-CtCsCs 300-1500 5.03E+02 2.41 0 6.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -754 Cds-CdH_Cds-CtH CdsJ-H 300-1500 1.32E+04 2.41 0 -0.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -755 Cds-CdH_Cds-CtH CdsJ-Cs 300-1500 7.01E+03 2.41 0 -0.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -756 Cds-CdH_Cds-CtH CbJ 300-1500 2.09E+04 2.41 0 -2.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -757 Cds-CdH_Cds-CtCs CsJ-HHH 300-1500 1.98E+04 2.41 0 3.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -758 Cds-CdH_Cds-CtCs CsJ-CsHH 300-1500 2.01E+03 2.41 0 3.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -759 Cds-CdH_Cds-CtCs CsJ-CsCsH 300-1500 1.61E+03 2.41 0 1.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -760 Cds-CdH_Cds-CtCs CsJ-CsCsCs 300-1500 1.19E+03 2.41 0 0.54 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -761 Cds-CdH_Cds-CtCs CsJ-CdHH 300-1500 2.09E+04 2.41 0 10.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -762 Cds-CdH_Cds-CtCs CsJ-CdCsH 300-1500 3.64E+03 2.41 0 9.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -763 Cds-CdH_Cds-CtCs CsJ-CdCsCs 300-1500 4.70E+02 2.41 0 8.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -764 Cds-CdH_Cds-CtCs CsJ-CdCdH 300-1500 7.33E+03 2.41 0 14.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -765 Cds-CdH_Cds-CtCs CsJ-CdCdCs 300-1500 2.50E+03 2.41 0 14.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -766 Cds-CdH_Cds-CtCs CsJ-CbHH 300-1500 9.68E+03 2.41 0 7.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -767 Cds-CdH_Cds-CtCs CsJ-CbCsH 300-1500 2.38E+03 2.41 0 6.99 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -768 Cds-CdH_Cds-CtCs CsJ-CbCsCs 300-1500 3.81E+02 2.41 0 6.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -769 Cds-CdH_Cds-CtCs CsJ-CtHH 300-1500 8.95E+03 2.41 0 7.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -770 Cds-CdH_Cds-CtCs CsJ-CtCsH 300-1500 2.02E+03 2.41 0 6.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -771 Cds-CdH_Cds-CtCs CsJ-CtCsCs 300-1500 5.15E+02 2.41 0 6.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -772 Cds-CdH_Cds-CtCs CdsJ-H 300-1500 1.35E+04 2.41 0 -0.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -773 Cds-CdH_Cds-CtCs CdsJ-Cs 300-1500 7.18E+03 2.41 0 -0.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -774 Cds-CdH_Cds-CtCs CbJ 300-1500 2.14E+04 2.41 0 -2.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -775 Cds-CdH_Ca CsJ-HHH 300-1500 1.43E+04 2.41 0 7.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -776 Cds-CdH_Ca CsJ-CsHH 300-1500 1.45E+03 2.41 0 7.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -777 Cds-CdH_Ca CsJ-CsCsH 300-1500 1.16E+03 2.41 0 5.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -778 Cds-CdH_Ca CsJ-CsCsCs 300-1500 8.62E+02 2.41 0 4.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -779 Cds-CdH_Ca CsJ-CdHH 300-1500 1.51E+04 2.41 0 13.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -780 Cds-CdH_Ca CsJ-CdCsH 300-1500 2.63E+03 2.41 0 13.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -781 Cds-CdH_Ca CsJ-CdCsCs 300-1500 3.39E+02 2.41 0 12.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -782 Cds-CdH_Ca CsJ-CdCdH 300-1500 5.29E+03 2.41 0 18.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -783 Cds-CdH_Ca CsJ-CdCdCs 300-1500 1.81E+03 2.41 0 18.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -784 Cds-CdH_Ca CsJ-CbHH 300-1500 6.99E+03 2.41 0 11.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -785 Cds-CdH_Ca CsJ-CbCsH 300-1500 1.72E+03 2.41 0 10.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -786 Cds-CdH_Ca CsJ-CbCsCs 300-1500 2.75E+02 2.41 0 10.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -787 Cds-CdH_Ca CsJ-CtHH 300-1500 6.46E+03 2.41 0 11.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -788 Cds-CdH_Ca CsJ-CtCsH 300-1500 1.46E+03 2.41 0 10.88 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -789 Cds-CdH_Ca CsJ-CtCsCs 300-1500 3.72E+02 2.41 0 10.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -790 Cds-CdH_Ca CdsJ-H 300-1500 9.77E+03 2.41 0 3.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -791 Cds-CdH_Ca CdsJ-Cs 300-1500 5.18E+03 2.41 0 3.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -792 Cds-CdH_Ca CbJ 300-1500 1.54E+04 2.41 0 1.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -793 Cds-CdCs_Cds-HH CsJ-HHH 300-1500 6.64E+03 2.41 0 8.13 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -794 Cds-CdCs_Cds-HH CsJ-CsHH 300-1500 6.74E+02 2.41 0 7.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -795 Cds-CdCs_Cds-HH CsJ-CsCsH 300-1500 5.41E+02 2.41 0 6.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -796 Cds-CdCs_Cds-HH CsJ-CsCsCs 300-1500 4.00E+02 2.41 0 4.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -797 Cds-CdCs_Cds-HH CsJ-CdHH 300-1500 7.00E+03 2.41 0 14.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -798 Cds-CdCs_Cds-HH CsJ-CdCsH 300-1500 1.22E+03 2.41 0 14.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -799 Cds-CdCs_Cds-HH CsJ-CdCsCs 300-1500 1.58E+02 2.41 0 13.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -800 Cds-CdCs_Cds-HH CsJ-CdCdH 300-1500 2.46E+03 2.41 0 18.96 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -801 Cds-CdCs_Cds-HH CsJ-CdCdCs 300-1500 8.40E+02 2.41 0 18.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -802 Cds-CdCs_Cds-HH CsJ-CbHH 300-1500 3.25E+03 2.41 0 12.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -803 Cds-CdCs_Cds-HH CsJ-CbCsH 300-1500 7.99E+02 2.41 0 11.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -804 Cds-CdCs_Cds-HH CsJ-CbCsCs 300-1500 1.28E+02 2.41 0 10.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -805 Cds-CdCs_Cds-HH CsJ-CtHH 300-1500 3.00E+03 2.41 0 11.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -806 Cds-CdCs_Cds-HH CsJ-CtCsH 300-1500 6.77E+02 2.41 0 11.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -807 Cds-CdCs_Cds-HH CsJ-CtCsCs 300-1500 1.73E+02 2.41 0 10.70 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -808 Cds-CdCs_Cds-HH CdsJ-H 300-1500 4.54E+03 2.41 0 4.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -809 Cds-CdCs_Cds-HH CdsJ-Cs 300-1500 2.41E+03 2.41 0 4.08 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -810 Cds-CdCs_Cds-HH CbJ 300-1500 7.17E+03 2.41 0 1.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -811 Cds-CdCs_Cds-CsH CsJ-HHH 300-1500 6.66E+03 2.41 0 7.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -812 Cds-CdCs_Cds-CsH CsJ-CsHH 300-1500 6.77E+02 2.41 0 7.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -813 Cds-CdCs_Cds-CsH CsJ-CsCsH 300-1500 5.43E+02 2.41 0 6.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -814 Cds-CdCs_Cds-CsH CsJ-CsCsCs 300-1500 4.02E+02 2.41 0 4.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -815 Cds-CdCs_Cds-CsH CsJ-CdHH 300-1500 7.03E+03 2.41 0 14.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -816 Cds-CdCs_Cds-CsH CsJ-CdCsH 300-1500 1.22E+03 2.41 0 13.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -817 Cds-CdCs_Cds-CsH CsJ-CdCsCs 300-1500 1.58E+02 2.41 0 12.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -818 Cds-CdCs_Cds-CsH CsJ-CdCdH 300-1500 2.47E+03 2.41 0 18.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -819 Cds-CdCs_Cds-CsH CsJ-CdCdCs 300-1500 8.43E+02 2.41 0 18.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -820 Cds-CdCs_Cds-CsH CsJ-CbHH 300-1500 3.26E+03 2.41 0 11.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -821 Cds-CdCs_Cds-CsH CsJ-CbCsH 300-1500 8.02E+02 2.41 0 11.08 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -822 Cds-CdCs_Cds-CsH CsJ-CbCsCs 300-1500 1.28E+02 2.41 0 10.54 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -823 Cds-CdCs_Cds-CsH CsJ-CtHH 300-1500 3.01E+03 2.41 0 11.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -824 Cds-CdCs_Cds-CsH CsJ-CtCsH 300-1500 6.80E+02 2.41 0 11.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -825 Cds-CdCs_Cds-CsH CsJ-CtCsCs 300-1500 1.73E+02 2.41 0 10.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -826 Cds-CdCs_Cds-CsH CdsJ-H 300-1500 4.56E+03 2.41 0 3.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -827 Cds-CdCs_Cds-CsH CdsJ-Cs 300-1500 2.42E+03 2.41 0 3.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -828 Cds-CdCs_Cds-CsH CbJ 300-1500 7.20E+03 2.41 0 1.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -829 Cds-CdCs_Cds-CsCs CsJ-HHH 300-1500 8.38E+03 2.41 0 7.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -830 Cds-CdCs_Cds-CsCs CsJ-CsHH 300-1500 8.51E+02 2.41 0 6.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -831 Cds-CdCs_Cds-CsCs CsJ-CsCsH 300-1500 6.83E+02 2.41 0 5.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -832 Cds-CdCs_Cds-CsCs CsJ-CsCsCs 300-1500 5.06E+02 2.41 0 4.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -833 Cds-CdCs_Cds-CsCs CsJ-CdHH 300-1500 8.85E+03 2.41 0 13.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -834 Cds-CdCs_Cds-CsCs CsJ-CdCsH 300-1500 1.54E+03 2.41 0 13.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -835 Cds-CdCs_Cds-CsCs CsJ-CdCsCs 300-1500 1.99E+02 2.41 0 12.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -836 Cds-CdCs_Cds-CsCs CsJ-CdCdH 300-1500 3.11E+03 2.41 0 18.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -837 Cds-CdCs_Cds-CsCs CsJ-CdCdCs 300-1500 1.06E+03 2.41 0 18.08 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -838 Cds-CdCs_Cds-CsCs CsJ-CbHH 300-1500 4.10E+03 2.41 0 11.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -839 Cds-CdCs_Cds-CsCs CsJ-CbCsH 300-1500 1.01E+03 2.41 0 10.70 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -840 Cds-CdCs_Cds-CsCs CsJ-CbCsCs 300-1500 1.61E+02 2.41 0 10.16 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -841 Cds-CdCs_Cds-CsCs CsJ-CtHH 300-1500 3.79E+03 2.41 0 11.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -842 Cds-CdCs_Cds-CsCs CsJ-CtCsH 300-1500 8.55E+02 2.41 0 10.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -843 Cds-CdCs_Cds-CsCs CsJ-CtCsCs 300-1500 2.18E+02 2.41 0 10.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -844 Cds-CdCs_Cds-CsCs CdsJ-H 300-1500 5.73E+03 2.41 0 3.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -845 Cds-CdCs_Cds-CsCs CdsJ-Cs 300-1500 3.04E+03 2.41 0 3.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -846 Cds-CdCs_Cds-CsCs CbJ 300-1500 9.06E+03 2.41 0 1.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -847 Cds-CdCs_Cds-CdH CsJ-HHH 300-1500 7.48E+03 2.41 0 5.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -848 Cds-CdCs_Cds-CdH CsJ-CsHH 300-1500 7.60E+02 2.41 0 4.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -849 Cds-CdCs_Cds-CdH CsJ-CsCsH 300-1500 6.10E+02 2.41 0 3.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -850 Cds-CdCs_Cds-CdH CsJ-CsCsCs 300-1500 4.51E+02 2.41 0 1.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -851 Cds-CdCs_Cds-CdH CsJ-CdHH 300-1500 7.90E+03 2.41 0 11.31 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -852 Cds-CdCs_Cds-CdH CsJ-CdCsH 300-1500 1.38E+03 2.41 0 11.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -853 Cds-CdCs_Cds-CdH CsJ-CdCsCs 300-1500 1.78E+02 2.41 0 10.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -854 Cds-CdCs_Cds-CdH CsJ-CdCdH 300-1500 2.77E+03 2.41 0 15.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -855 Cds-CdCs_Cds-CdH CsJ-CdCdCs 300-1500 9.47E+02 2.41 0 15.67 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -856 Cds-CdCs_Cds-CdH CsJ-CbHH 300-1500 3.66E+03 2.41 0 8.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -857 Cds-CdCs_Cds-CdH CsJ-CbCsH 300-1500 9.00E+02 2.41 0 8.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -858 Cds-CdCs_Cds-CdH CsJ-CbCsCs 300-1500 1.44E+02 2.41 0 7.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -859 Cds-CdCs_Cds-CdH CsJ-CtHH 300-1500 3.38E+03 2.41 0 8.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -860 Cds-CdCs_Cds-CdH CsJ-CtCsH 300-1500 7.63E+02 2.41 0 8.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -861 Cds-CdCs_Cds-CdH CsJ-CtCsCs 300-1500 1.95E+02 2.41 0 7.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -862 Cds-CdCs_Cds-CdH CdsJ-H 300-1500 5.12E+03 2.41 0 1.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -863 Cds-CdCs_Cds-CdH CdsJ-Cs 300-1500 2.71E+03 2.41 0 0.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -864 Cds-CdCs_Cds-CdH CbJ 300-1500 8.09E+03 2.41 0 -1.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -865 Cds-CdCs_Cds-CdCs CsJ-HHH 300-1500 8.49E+03 2.41 0 4.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -866 Cds-CdCs_Cds-CdCs CsJ-CsHH 300-1500 8.62E+02 2.41 0 4.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -867 Cds-CdCs_Cds-CdCs CsJ-CsCsH 300-1500 6.92E+02 2.41 0 2.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -868 Cds-CdCs_Cds-CdCs CsJ-CsCsCs 300-1500 5.12E+02 2.41 0 1.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -869 Cds-CdCs_Cds-CdCs CsJ-CdHH 300-1500 8.96E+03 2.41 0 10.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -870 Cds-CdCs_Cds-CdCs CsJ-CdCsH 300-1500 1.56E+03 2.41 0 10.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -871 Cds-CdCs_Cds-CdCs CsJ-CdCsCs 300-1500 2.02E+02 2.41 0 9.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -872 Cds-CdCs_Cds-CdCs CsJ-CdCdH 300-1500 3.15E+03 2.41 0 15.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -873 Cds-CdCs_Cds-CdCs CsJ-CdCdCs 300-1500 1.07E+03 2.41 0 15.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -874 Cds-CdCs_Cds-CdCs CsJ-CbHH 300-1500 4.16E+03 2.41 0 8.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -875 Cds-CdCs_Cds-CdCs CsJ-CbCsH 300-1500 1.02E+03 2.41 0 7.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -876 Cds-CdCs_Cds-CdCs CsJ-CbCsCs 300-1500 1.64E+02 2.41 0 7.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -877 Cds-CdCs_Cds-CdCs CsJ-CtHH 300-1500 3.84E+03 2.41 0 8.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -878 Cds-CdCs_Cds-CdCs CsJ-CtCsH 300-1500 8.66E+02 2.41 0 7.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -879 Cds-CdCs_Cds-CdCs CsJ-CtCsCs 300-1500 2.21E+02 2.41 0 7.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -880 Cds-CdCs_Cds-CdCs CdsJ-H 300-1500 5.81E+03 2.41 0 0.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -881 Cds-CdCs_Cds-CdCs CdsJ-Cs 300-1500 3.08E+03 2.41 0 0.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -882 Cds-CdCs_Cds-CdCs CbJ 300-1500 9.18E+03 2.41 0 -1.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -883 Cds-CdCs_Cds-CdCd CsJ-HHH 300-1500 2.59E+04 2.41 0 3.70 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -884 Cds-CdCs_Cds-CdCd CsJ-CsHH 300-1500 2.63E+03 2.41 0 3.13 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -885 Cds-CdCs_Cds-CdCd CsJ-CsCsH 300-1500 2.11E+03 2.41 0 1.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -886 Cds-CdCs_Cds-CdCd CsJ-CsCsCs 300-1500 1.56E+03 2.41 0 0.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -887 Cds-CdCs_Cds-CdCd CsJ-CdHH 300-1500 2.73E+04 2.41 0 9.99 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -888 Cds-CdCs_Cds-CdCd CsJ-CdCsH 300-1500 4.76E+03 2.41 0 9.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -889 Cds-CdCs_Cds-CdCd CsJ-CdCsCs 300-1500 6.15E+02 2.41 0 8.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -890 Cds-CdCs_Cds-CdCd CsJ-CdCdH 300-1500 9.59E+03 2.41 0 14.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -891 Cds-CdCs_Cds-CdCd CsJ-CdCdCs 300-1500 3.27E+03 2.41 0 14.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -892 Cds-CdCs_Cds-CdCd CsJ-CbHH 300-1500 1.27E+04 2.41 0 7.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -893 Cds-CdCs_Cds-CdCd CsJ-CbCsH 300-1500 3.11E+03 2.41 0 6.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -894 Cds-CdCs_Cds-CdCd CsJ-CbCsCs 300-1500 4.98E+02 2.41 0 6.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -895 Cds-CdCs_Cds-CdCd CsJ-CtHH 300-1500 1.17E+04 2.41 0 7.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -896 Cds-CdCs_Cds-CdCd CsJ-CtCsH 300-1500 2.64E+03 2.41 0 6.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -897 Cds-CdCs_Cds-CdCd CsJ-CtCsCs 300-1500 6.73E+02 2.41 0 6.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -898 Cds-CdCs_Cds-CdCd CdsJ-H 300-1500 1.77E+04 2.41 0 -0.13 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -899 Cds-CdCs_Cds-CdCd CdsJ-Cs 300-1500 9.39E+03 2.41 0 -0.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -900 Cds-CdCs_Cds-CdCd CbJ 300-1500 2.80E+04 2.41 0 -2.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -901 Cds-CdCs_Cds-CbH CsJ-HHH 300-1500 2.44E+03 2.41 0 6.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -902 Cds-CdCs_Cds-CbH CsJ-CsHH 300-1500 2.48E+02 2.41 0 6.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -903 Cds-CdCs_Cds-CbH CsJ-CsCsH 300-1500 1.99E+02 2.41 0 5.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -904 Cds-CdCs_Cds-CbH CsJ-CsCsCs 300-1500 1.47E+02 2.41 0 3.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -905 Cds-CdCs_Cds-CbH CsJ-CdHH 300-1500 2.58E+03 2.41 0 13.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -906 Cds-CdCs_Cds-CbH CsJ-CdCsH 300-1500 4.49E+02 2.41 0 12.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -907 Cds-CdCs_Cds-CbH CsJ-CdCsCs 300-1500 5.81E+01 2.41 0 11.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -908 Cds-CdCs_Cds-CbH CsJ-CdCdH 300-1500 9.05E+02 2.41 0 17.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -909 Cds-CdCs_Cds-CbH CsJ-CdCdCs 300-1500 3.09E+02 2.41 0 17.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -910 Cds-CdCs_Cds-CbH CsJ-CbHH 300-1500 1.20E+03 2.41 0 10.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -911 Cds-CdCs_Cds-CbH CsJ-CbCsH 300-1500 2.94E+02 2.41 0 10.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -912 Cds-CdCs_Cds-CbH CsJ-CbCsCs 300-1500 4.70E+01 2.41 0 9.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -913 Cds-CdCs_Cds-CbH CsJ-CtHH 300-1500 1.10E+03 2.41 0 10.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -914 Cds-CdCs_Cds-CbH CsJ-CtCsH 300-1500 2.49E+02 2.41 0 10.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -915 Cds-CdCs_Cds-CbH CsJ-CtCsCs 300-1500 6.35E+01 2.41 0 9.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -916 Cds-CdCs_Cds-CbH CdsJ-H 300-1500 1.67E+03 2.41 0 2.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -917 Cds-CdCs_Cds-CbH CdsJ-Cs 300-1500 8.86E+02 2.41 0 2.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -918 Cds-CdCs_Cds-CbH CbJ 300-1500 2.64E+03 2.41 0 0.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -919 Cds-CdCs_Cds-CbCs CsJ-HHH 300-1500 5.18E+03 2.41 0 6.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -920 Cds-CdCs_Cds-CbCs CsJ-CsHH 300-1500 5.26E+02 2.41 0 6.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -921 Cds-CdCs_Cds-CbCs CsJ-CsCsH 300-1500 4.22E+02 2.41 0 4.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -922 Cds-CdCs_Cds-CbCs CsJ-CsCsCs 300-1500 3.13E+02 2.41 0 3.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -923 Cds-CdCs_Cds-CbCs CsJ-CdHH 300-1500 5.47E+03 2.41 0 12.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -924 Cds-CdCs_Cds-CbCs CsJ-CdCsH 300-1500 9.52E+02 2.41 0 12.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -925 Cds-CdCs_Cds-CbCs CsJ-CdCsCs 300-1500 1.23E+02 2.41 0 11.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -926 Cds-CdCs_Cds-CbCs CsJ-CdCdH 300-1500 1.92E+03 2.41 0 17.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -927 Cds-CdCs_Cds-CbCs CsJ-CdCdCs 300-1500 6.55E+02 2.41 0 17.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -928 Cds-CdCs_Cds-CbCs CsJ-CbHH 300-1500 2.53E+03 2.41 0 10.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -929 Cds-CdCs_Cds-CbCs CsJ-CbCsH 300-1500 6.23E+02 2.41 0 9.88 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -930 Cds-CdCs_Cds-CbCs CsJ-CbCsCs 300-1500 9.97E+01 2.41 0 9.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -931 Cds-CdCs_Cds-CbCs CsJ-CtHH 300-1500 2.34E+03 2.41 0 10.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -932 Cds-CdCs_Cds-CbCs CsJ-CtCsH 300-1500 5.28E+02 2.41 0 9.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -933 Cds-CdCs_Cds-CbCs CsJ-CtCsCs 300-1500 1.35E+02 2.41 0 9.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -934 Cds-CdCs_Cds-CbCs CdsJ-H 300-1500 3.54E+03 2.41 0 2.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -935 Cds-CdCs_Cds-CbCs CdsJ-Cs 300-1500 1.88E+03 2.41 0 2.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -936 Cds-CdCs_Cds-CbCs CbJ 300-1500 5.60E+03 2.41 0 0.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -937 Cds-CdCs_Cds-CtH CsJ-HHH 300-1500 9.70E+03 2.41 0 4.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -938 Cds-CdCs_Cds-CtH CsJ-CsHH 300-1500 9.85E+02 2.41 0 4.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -939 Cds-CdCs_Cds-CtH CsJ-CsCsH 300-1500 7.90E+02 2.41 0 3.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -940 Cds-CdCs_Cds-CtH CsJ-CsCsCs 300-1500 5.85E+02 2.41 0 1.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -941 Cds-CdCs_Cds-CtH CsJ-CdHH 300-1500 1.02E+04 2.41 0 11.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -942 Cds-CdCs_Cds-CtH CsJ-CdCsH 300-1500 1.78E+03 2.41 0 10.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -943 Cds-CdCs_Cds-CtH CsJ-CdCsCs 300-1500 2.31E+02 2.41 0 9.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -944 Cds-CdCs_Cds-CtH CsJ-CdCdH 300-1500 3.59E+03 2.41 0 15.70 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -945 Cds-CdCs_Cds-CtH CsJ-CdCdCs 300-1500 1.23E+03 2.41 0 15.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -946 Cds-CdCs_Cds-CtH CsJ-CbHH 300-1500 4.75E+03 2.41 0 8.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -947 Cds-CdCs_Cds-CtH CsJ-CbCsH 300-1500 1.17E+03 2.41 0 8.13 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -948 Cds-CdCs_Cds-CtH CsJ-CbCsCs 300-1500 1.87E+02 2.41 0 7.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -949 Cds-CdCs_Cds-CtH CsJ-CtHH 300-1500 4.39E+03 2.41 0 8.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -950 Cds-CdCs_Cds-CtH CsJ-CtCsH 300-1500 9.89E+02 2.41 0 8.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -951 Cds-CdCs_Cds-CtH CsJ-CtCsCs 300-1500 2.52E+02 2.41 0 7.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -952 Cds-CdCs_Cds-CtH CdsJ-H 300-1500 6.64E+03 2.41 0 1.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -953 Cds-CdCs_Cds-CtH CdsJ-Cs 300-1500 3.52E+03 2.41 0 0.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -954 Cds-CdCs_Cds-CtH CbJ 300-1500 1.05E+04 2.41 0 -1.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -955 Cds-CdCs_Cds-CtCs CsJ-HHH 300-1500 9.93E+03 2.41 0 4.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -956 Cds-CdCs_Cds-CtCs CsJ-CsHH 300-1500 1.01E+03 2.41 0 4.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -957 Cds-CdCs_Cds-CtCs CsJ-CsCsH 300-1500 8.09E+02 2.41 0 3.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -958 Cds-CdCs_Cds-CtCs CsJ-CsCsCs 300-1500 5.99E+02 2.41 0 1.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -959 Cds-CdCs_Cds-CtCs CsJ-CdHH 300-1500 1.05E+04 2.41 0 11.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -960 Cds-CdCs_Cds-CtCs CsJ-CdCsH 300-1500 1.82E+03 2.41 0 10.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -961 Cds-CdCs_Cds-CtCs CsJ-CdCsCs 300-1500 2.36E+02 2.41 0 9.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -962 Cds-CdCs_Cds-CtCs CsJ-CdCdH 300-1500 3.68E+03 2.41 0 15.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -963 Cds-CdCs_Cds-CtCs CsJ-CdCdCs 300-1500 1.26E+03 2.41 0 15.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -964 Cds-CdCs_Cds-CtCs CsJ-CbHH 300-1500 4.86E+03 2.41 0 8.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -965 Cds-CdCs_Cds-CtCs CsJ-CbCsH 300-1500 1.19E+03 2.41 0 8.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -966 Cds-CdCs_Cds-CtCs CsJ-CbCsCs 300-1500 1.91E+02 2.41 0 7.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -967 Cds-CdCs_Cds-CtCs CsJ-CtHH 300-1500 4.49E+03 2.41 0 8.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -968 Cds-CdCs_Cds-CtCs CsJ-CtCsH 300-1500 1.01E+03 2.41 0 8.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -969 Cds-CdCs_Cds-CtCs CsJ-CtCsCs 300-1500 2.58E+02 2.41 0 7.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -970 Cds-CdCs_Cds-CtCs CdsJ-H 300-1500 6.79E+03 2.41 0 0.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -971 Cds-CdCs_Cds-CtCs CdsJ-Cs 300-1500 3.60E+03 2.41 0 0.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -972 Cds-CdCs_Cds-CtCs CbJ 300-1500 1.07E+04 2.41 0 -1.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -973 Cds-CdCs_Ca CsJ-HHH 300-1500 7.16E+03 2.41 0 8.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -974 Cds-CdCs_Ca CsJ-CsHH 300-1500 7.28E+02 2.41 0 8.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -975 Cds-CdCs_Ca CsJ-CsCsH 300-1500 5.84E+02 2.41 0 6.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -976 Cds-CdCs_Ca CsJ-CsCsCs 300-1500 4.32E+02 2.41 0 5.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -977 Cds-CdCs_Ca CsJ-CdHH 300-1500 7.56E+03 2.41 0 14.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -978 Cds-CdCs_Ca CsJ-CdCsH 300-1500 1.32E+03 2.41 0 14.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -979 Cds-CdCs_Ca CsJ-CdCsCs 300-1500 1.70E+02 2.41 0 13.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -980 Cds-CdCs_Ca CsJ-CdCdH 300-1500 2.66E+03 2.41 0 19.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -981 Cds-CdCs_Ca CsJ-CdCdCs 300-1500 9.07E+02 2.41 0 19.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -982 Cds-CdCs_Ca CsJ-CbHH 300-1500 3.51E+03 2.41 0 12.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -983 Cds-CdCs_Ca CsJ-CbCsH 300-1500 8.62E+02 2.41 0 11.96 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -984 Cds-CdCs_Ca CsJ-CbCsCs 300-1500 1.38E+02 2.41 0 11.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -985 Cds-CdCs_Ca CsJ-CtHH 300-1500 3.24E+03 2.41 0 12.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -986 Cds-CdCs_Ca CsJ-CtCsH 300-1500 7.31E+02 2.41 0 11.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -987 Cds-CdCs_Ca CsJ-CtCsCs 300-1500 1.86E+02 2.41 0 11.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -988 Cds-CdCs_Ca CdsJ-H 300-1500 4.90E+03 2.41 0 4.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -989 Cds-CdCs_Ca CdsJ-Cs 300-1500 2.60E+03 2.41 0 4.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -990 Cds-CdCs_Ca CbJ 300-1500 7.74E+03 2.41 0 2.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -991 Cds-CdCd_Cds-HH CsJ-HHH 300-1500 1.40E+04 2.41 0 8.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -992 Cds-CdCd_Cds-HH CsJ-CsHH 300-1500 1.43E+03 2.41 0 7.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -993 Cds-CdCd_Cds-HH CsJ-CsCsH 300-1500 1.14E+03 2.41 0 6.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -994 Cds-CdCd_Cds-HH CsJ-CsCsCs 300-1500 8.47E+02 2.41 0 5.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -995 Cds-CdCd_Cds-HH CsJ-CdHH 300-1500 1.48E+04 2.41 0 14.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -996 Cds-CdCd_Cds-HH CsJ-CdCsH 300-1500 2.58E+03 2.41 0 14.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -997 Cds-CdCd_Cds-HH CsJ-CdCsCs 300-1500 3.34E+02 2.41 0 13.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -998 Cds-CdCd_Cds-HH CsJ-CdCdH 300-1500 5.20E+03 2.41 0 19.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -999 Cds-CdCd_Cds-HH CsJ-CdCdCs 300-1500 1.78E+03 2.41 0 18.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1000 Cds-CdCd_Cds-HH CsJ-CbHH 300-1500 6.87E+03 2.41 0 12.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1001 Cds-CdCd_Cds-HH CsJ-CbCsH 300-1500 1.69E+03 2.41 0 11.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1002 Cds-CdCd_Cds-HH CsJ-CbCsCs 300-1500 2.70E+02 2.41 0 10.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1003 Cds-CdCd_Cds-HH CsJ-CtHH 300-1500 6.35E+03 2.41 0 11.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1004 Cds-CdCd_Cds-HH CsJ-CtCsH 300-1500 1.43E+03 2.41 0 11.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1005 Cds-CdCd_Cds-HH CsJ-CtCsCs 300-1500 3.65E+02 2.41 0 10.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1006 Cds-CdCd_Cds-HH CdsJ-H 300-1500 9.61E+03 2.41 0 4.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1007 Cds-CdCd_Cds-HH CdsJ-Cs 300-1500 5.09E+03 2.41 0 4.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1008 Cds-CdCd_Cds-HH CbJ 300-1500 1.52E+04 2.41 0 1.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1009 Cds-CdCd_Cds-CsH CsJ-HHH 300-1500 1.41E+04 2.41 0 7.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1010 Cds-CdCd_Cds-CsH CsJ-CsHH 300-1500 1.43E+03 2.41 0 7.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1011 Cds-CdCd_Cds-CsH CsJ-CsCsH 300-1500 1.15E+03 2.41 0 6.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1012 Cds-CdCd_Cds-CsH CsJ-CsCsCs 300-1500 8.51E+02 2.41 0 4.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1013 Cds-CdCd_Cds-CsH CsJ-CdHH 300-1500 1.49E+04 2.41 0 14.16 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1014 Cds-CdCd_Cds-CsH CsJ-CdCsH 300-1500 2.59E+03 2.41 0 13.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1015 Cds-CdCd_Cds-CsH CsJ-CdCsCs 300-1500 3.35E+02 2.41 0 12.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1016 Cds-CdCd_Cds-CsH CsJ-CdCdH 300-1500 5.23E+03 2.41 0 18.70 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1017 Cds-CdCd_Cds-CsH CsJ-CdCdCs 300-1500 1.78E+03 2.41 0 18.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1018 Cds-CdCd_Cds-CsH CsJ-CbHH 300-1500 6.90E+03 2.41 0 11.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1019 Cds-CdCd_Cds-CsH CsJ-CbCsH 300-1500 1.70E+03 2.41 0 11.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1020 Cds-CdCd_Cds-CsH CsJ-CbCsCs 300-1500 2.71E+02 2.41 0 10.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1021 Cds-CdCd_Cds-CsH CsJ-CtHH 300-1500 6.38E+03 2.41 0 11.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1022 Cds-CdCd_Cds-CsH CsJ-CtCsH 300-1500 1.44E+03 2.41 0 11.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1023 Cds-CdCd_Cds-CsH CsJ-CtCsCs 300-1500 3.67E+02 2.41 0 10.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1024 Cds-CdCd_Cds-CsH CdsJ-H 300-1500 9.65E+03 2.41 0 4.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1025 Cds-CdCd_Cds-CsH CdsJ-Cs 300-1500 5.11E+03 2.41 0 3.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1026 Cds-CdCd_Cds-CsH CbJ 300-1500 1.52E+04 2.41 0 1.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1027 Cds-CdCd_Cds-CsCs CsJ-HHH 300-1500 1.77E+04 2.41 0 7.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1028 Cds-CdCd_Cds-CsCs CsJ-CsHH 300-1500 1.80E+03 2.41 0 6.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1029 Cds-CdCd_Cds-CsCs CsJ-CsCsH 300-1500 1.45E+03 2.41 0 5.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1030 Cds-CdCd_Cds-CsCs CsJ-CsCsCs 300-1500 1.07E+03 2.41 0 4.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1031 Cds-CdCd_Cds-CsCs CsJ-CdHH 300-1500 1.87E+04 2.41 0 13.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1032 Cds-CdCd_Cds-CsCs CsJ-CdCsH 300-1500 3.26E+03 2.41 0 13.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1033 Cds-CdCd_Cds-CsCs CsJ-CdCsCs 300-1500 4.22E+02 2.41 0 12.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1034 Cds-CdCd_Cds-CsCs CsJ-CdCdH 300-1500 6.57E+03 2.41 0 18.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1035 Cds-CdCd_Cds-CsCs CsJ-CdCdCs 300-1500 2.24E+03 2.41 0 18.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1036 Cds-CdCd_Cds-CsCs CsJ-CbHH 300-1500 8.68E+03 2.41 0 11.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1037 Cds-CdCd_Cds-CsCs CsJ-CbCsH 300-1500 2.13E+03 2.41 0 10.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1038 Cds-CdCd_Cds-CsCs CsJ-CbCsCs 300-1500 3.42E+02 2.41 0 10.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1039 Cds-CdCd_Cds-CsCs CsJ-CtHH 300-1500 8.02E+03 2.41 0 11.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1040 Cds-CdCd_Cds-CsCs CsJ-CtCsH 300-1500 1.81E+03 2.41 0 10.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1041 Cds-CdCd_Cds-CsCs CsJ-CtCsCs 300-1500 4.62E+02 2.41 0 10.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1042 Cds-CdCd_Cds-CsCs CdsJ-H 300-1500 1.21E+04 2.41 0 3.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1043 Cds-CdCd_Cds-CsCs CdsJ-Cs 300-1500 6.43E+03 2.41 0 3.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1044 Cds-CdCd_Cds-CsCs CbJ 300-1500 1.92E+04 2.41 0 1.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1045 Cds-CdCd_Cds-CdH CsJ-HHH 300-1500 1.58E+04 2.41 0 5.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1046 Cds-CdCd_Cds-CdH CsJ-CsHH 300-1500 1.61E+03 2.41 0 4.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1047 Cds-CdCd_Cds-CdH CsJ-CsCsH 300-1500 1.29E+03 2.41 0 3.31 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1048 Cds-CdCd_Cds-CdH CsJ-CsCsCs 300-1500 9.55E+02 2.41 0 1.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1049 Cds-CdCd_Cds-CdH CsJ-CdHH 300-1500 1.67E+04 2.41 0 11.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1050 Cds-CdCd_Cds-CdH CsJ-CdCsH 300-1500 2.91E+03 2.41 0 11.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1051 Cds-CdCd_Cds-CdH CsJ-CdCsCs 300-1500 3.76E+02 2.41 0 10.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1052 Cds-CdCd_Cds-CdH CsJ-CdCdH 300-1500 5.87E+03 2.41 0 15.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1053 Cds-CdCd_Cds-CdH CsJ-CdCdCs 300-1500 2.00E+03 2.41 0 15.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1054 Cds-CdCd_Cds-CdH CsJ-CbHH 300-1500 7.75E+03 2.41 0 9.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1055 Cds-CdCd_Cds-CdH CsJ-CbCsH 300-1500 1.91E+03 2.41 0 8.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1056 Cds-CdCd_Cds-CdH CsJ-CbCsCs 300-1500 3.05E+02 2.41 0 7.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1057 Cds-CdCd_Cds-CdH CsJ-CtHH 300-1500 7.16E+03 2.41 0 8.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1058 Cds-CdCd_Cds-CdH CsJ-CtCsH 300-1500 1.61E+03 2.41 0 8.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1059 Cds-CdCd_Cds-CdH CsJ-CtCsCs 300-1500 4.12E+02 2.41 0 7.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1060 Cds-CdCd_Cds-CdH CdsJ-H 300-1500 1.08E+04 2.41 0 1.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1061 Cds-CdCd_Cds-CdH CdsJ-Cs 300-1500 5.74E+03 2.41 0 1.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1062 Cds-CdCd_Cds-CdH CbJ 300-1500 1.71E+04 2.41 0 -1.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1063 Cds-CdCd_Cds-CdCs CsJ-HHH 300-1500 1.80E+04 2.41 0 4.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1064 Cds-CdCd_Cds-CdCs CsJ-CsHH 300-1500 1.82E+03 2.41 0 4.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1065 Cds-CdCd_Cds-CdCs CsJ-CsCsH 300-1500 1.46E+03 2.41 0 2.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1066 Cds-CdCd_Cds-CdCs CsJ-CsCsCs 300-1500 1.08E+03 2.41 0 1.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1067 Cds-CdCd_Cds-CdCs CsJ-CdHH 300-1500 1.90E+04 2.41 0 10.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1068 Cds-CdCd_Cds-CdCs CsJ-CdCsH 300-1500 3.30E+03 2.41 0 10.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1069 Cds-CdCd_Cds-CdCs CsJ-CdCsCs 300-1500 4.27E+02 2.41 0 9.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1070 Cds-CdCd_Cds-CdCs CsJ-CdCdH 300-1500 6.66E+03 2.41 0 15.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1071 Cds-CdCd_Cds-CdCs CsJ-CdCdCs 300-1500 2.27E+03 2.41 0 15.31 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1072 Cds-CdCd_Cds-CdCs CsJ-CbHH 300-1500 8.79E+03 2.41 0 8.62 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1073 Cds-CdCd_Cds-CdCs CsJ-CbCsH 300-1500 2.16E+03 2.41 0 7.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1074 Cds-CdCd_Cds-CdCs CsJ-CbCsCs 300-1500 3.46E+02 2.41 0 7.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1075 Cds-CdCd_Cds-CdCs CsJ-CtHH 300-1500 8.13E+03 2.41 0 8.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1076 Cds-CdCd_Cds-CdCs CsJ-CtCsH 300-1500 1.83E+03 2.41 0 7.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1077 Cds-CdCd_Cds-CdCs CsJ-CtCsCs 300-1500 4.67E+02 2.41 0 7.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1078 Cds-CdCd_Cds-CdCs CdsJ-H 300-1500 1.23E+04 2.41 0 0.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1079 Cds-CdCd_Cds-CdCs CdsJ-Cs 300-1500 6.52E+03 2.41 0 0.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1080 Cds-CdCd_Cds-CdCs CbJ 300-1500 1.94E+04 2.41 0 -1.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1081 Cds-CdCd_Cds-CdCd CsJ-HHH 300-1500 5.48E+04 2.41 0 3.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1082 Cds-CdCd_Cds-CdCd CsJ-CsHH 300-1500 5.56E+03 2.41 0 3.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1083 Cds-CdCd_Cds-CdCd CsJ-CsCsH 300-1500 4.46E+03 2.41 0 1.99 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1084 Cds-CdCd_Cds-CdCd CsJ-CsCsCs 300-1500 3.30E+03 2.41 0 0.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1085 Cds-CdCd_Cds-CdCd CsJ-CdHH 300-1500 5.78E+04 2.41 0 10.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1086 Cds-CdCd_Cds-CdCd CsJ-CdCsH 300-1500 1.01E+04 2.41 0 9.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1087 Cds-CdCd_Cds-CdCd CsJ-CdCsCs 300-1500 1.30E+03 2.41 0 8.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1088 Cds-CdCd_Cds-CdCd CsJ-CdCdH 300-1500 2.03E+04 2.41 0 14.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1089 Cds-CdCd_Cds-CdCd CsJ-CdCdCs 300-1500 6.93E+03 2.41 0 14.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1090 Cds-CdCd_Cds-CdCd CsJ-CbHH 300-1500 2.68E+04 2.41 0 7.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1091 Cds-CdCd_Cds-CdCd CsJ-CbCsH 300-1500 6.59E+03 2.41 0 7.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1092 Cds-CdCd_Cds-CdCd CsJ-CbCsCs 300-1500 1.05E+03 2.41 0 6.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1093 Cds-CdCd_Cds-CdCd CsJ-CtHH 300-1500 2.48E+04 2.41 0 7.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1094 Cds-CdCd_Cds-CdCd CsJ-CtCsH 300-1500 5.58E+03 2.41 0 7.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1095 Cds-CdCd_Cds-CdCd CsJ-CtCsCs 300-1500 1.42E+03 2.41 0 6.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1096 Cds-CdCd_Cds-CdCd CdsJ-H 300-1500 3.75E+04 2.41 0 -0.08 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1097 Cds-CdCd_Cds-CdCd CdsJ-Cs 300-1500 1.99E+04 2.41 0 -0.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1098 Cds-CdCd_Cds-CdCd CbJ 300-1500 5.92E+04 2.41 0 -2.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1099 Cds-CdCd_Cds-CbH CsJ-HHH 300-1500 5.17E+03 2.41 0 6.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1100 Cds-CdCd_Cds-CbH CsJ-CsHH 300-1500 5.25E+02 2.41 0 6.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1101 Cds-CdCd_Cds-CbH CsJ-CsCsH 300-1500 4.21E+02 2.41 0 5.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1102 Cds-CdCd_Cds-CbH CsJ-CsCsCs 300-1500 3.12E+02 2.41 0 3.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1103 Cds-CdCd_Cds-CbH CsJ-CdHH 300-1500 5.45E+03 2.41 0 13.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1104 Cds-CdCd_Cds-CbH CsJ-CdCsH 300-1500 9.50E+02 2.41 0 12.88 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1105 Cds-CdCd_Cds-CbH CsJ-CdCsCs 300-1500 1.23E+02 2.41 0 11.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1106 Cds-CdCd_Cds-CbH CsJ-CdCdH 300-1500 1.92E+03 2.41 0 17.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1107 Cds-CdCd_Cds-CbH CsJ-CdCdCs 300-1500 6.54E+02 2.41 0 17.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1108 Cds-CdCd_Cds-CbH CsJ-CbHH 300-1500 2.53E+03 2.41 0 10.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1109 Cds-CdCd_Cds-CbH CsJ-CbCsH 300-1500 6.22E+02 2.41 0 10.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1110 Cds-CdCd_Cds-CbH CsJ-CbCsCs 300-1500 9.95E+01 2.41 0 9.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1111 Cds-CdCd_Cds-CbH CsJ-CtHH 300-1500 2.34E+03 2.41 0 10.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1112 Cds-CdCd_Cds-CbH CsJ-CtCsH 300-1500 5.27E+02 2.41 0 10.08 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1113 Cds-CdCd_Cds-CbH CsJ-CtCsCs 300-1500 1.34E+02 2.41 0 9.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1114 Cds-CdCd_Cds-CbH CdsJ-H 300-1500 3.54E+03 2.41 0 3.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1115 Cds-CdCd_Cds-CbH CdsJ-Cs 300-1500 1.87E+03 2.41 0 2.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1116 Cds-CdCd_Cds-CbH CbJ 300-1500 5.59E+03 2.41 0 0.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1117 Cds-CdCd_Cds-CbCs CsJ-HHH 300-1500 1.10E+04 2.41 0 6.67 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1118 Cds-CdCd_Cds-CbCs CsJ-CsHH 300-1500 1.11E+03 2.41 0 6.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1119 Cds-CdCd_Cds-CbCs CsJ-CsCsH 300-1500 8.93E+02 2.41 0 4.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1120 Cds-CdCd_Cds-CbCs CsJ-CsCsCs 300-1500 6.61E+02 2.41 0 3.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1121 Cds-CdCd_Cds-CbCs CsJ-CdHH 300-1500 1.16E+04 2.41 0 12.96 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1122 Cds-CdCd_Cds-CbCs CsJ-CdCsH 300-1500 2.01E+03 2.41 0 12.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1123 Cds-CdCd_Cds-CbCs CsJ-CdCsCs 300-1500 2.61E+02 2.41 0 11.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1124 Cds-CdCd_Cds-CbCs CsJ-CdCdH 300-1500 4.06E+03 2.41 0 17.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1125 Cds-CdCd_Cds-CbCs CsJ-CdCdCs 300-1500 1.39E+03 2.41 0 17.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1126 Cds-CdCd_Cds-CbCs CsJ-CbHH 300-1500 5.36E+03 2.41 0 10.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1127 Cds-CdCd_Cds-CbCs CsJ-CbCsH 300-1500 1.32E+03 2.41 0 9.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1128 Cds-CdCd_Cds-CbCs CsJ-CbCsCs 300-1500 2.11E+02 2.41 0 9.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1129 Cds-CdCd_Cds-CbCs CsJ-CtHH 300-1500 4.96E+03 2.41 0 10.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1130 Cds-CdCd_Cds-CbCs CsJ-CtCsH 300-1500 1.12E+03 2.41 0 9.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1131 Cds-CdCd_Cds-CbCs CsJ-CtCsCs 300-1500 2.85E+02 2.41 0 9.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1132 Cds-CdCd_Cds-CbCs CdsJ-H 300-1500 7.50E+03 2.41 0 2.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1133 Cds-CdCd_Cds-CbCs CdsJ-Cs 300-1500 3.98E+03 2.41 0 2.62 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1134 Cds-CdCd_Cds-CbCs CbJ 300-1500 1.18E+04 2.41 0 0.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1135 Cds-CdCd_Cds-CtH CsJ-HHH 300-1500 2.05E+04 2.41 0 4.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1136 Cds-CdCd_Cds-CtH CsJ-CsHH 300-1500 2.08E+03 2.41 0 4.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1137 Cds-CdCd_Cds-CtH CsJ-CsCsH 300-1500 1.67E+03 2.41 0 3.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1138 Cds-CdCd_Cds-CtH CsJ-CsCsCs 300-1500 1.24E+03 2.41 0 1.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1139 Cds-CdCd_Cds-CtH CsJ-CdHH 300-1500 2.17E+04 2.41 0 11.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1140 Cds-CdCd_Cds-CtH CsJ-CdCsH 300-1500 3.77E+03 2.41 0 10.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1141 Cds-CdCd_Cds-CtH CsJ-CdCsCs 300-1500 4.88E+02 2.41 0 10.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1142 Cds-CdCd_Cds-CtH CsJ-CdCdH 300-1500 7.61E+03 2.41 0 15.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1143 Cds-CdCd_Cds-CtH CsJ-CdCdCs 300-1500 2.60E+03 2.41 0 15.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1144 Cds-CdCd_Cds-CtH CsJ-CbHH 300-1500 1.00E+04 2.41 0 8.88 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1145 Cds-CdCd_Cds-CtH CsJ-CbCsH 300-1500 2.47E+03 2.41 0 8.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1146 Cds-CdCd_Cds-CtH CsJ-CbCsCs 300-1500 3.95E+02 2.41 0 7.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1147 Cds-CdCd_Cds-CtH CsJ-CtHH 300-1500 9.28E+03 2.41 0 8.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1148 Cds-CdCd_Cds-CtH CsJ-CtCsH 300-1500 2.09E+03 2.41 0 8.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1149 Cds-CdCd_Cds-CtH CsJ-CtCsCs 300-1500 5.34E+02 2.41 0 7.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1150 Cds-CdCd_Cds-CtH CdsJ-H 300-1500 1.40E+04 2.41 0 1.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1151 Cds-CdCd_Cds-CtH CdsJ-Cs 300-1500 7.44E+03 2.41 0 0.88 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1152 Cds-CdCd_Cds-CtH CbJ 300-1500 2.22E+04 2.41 0 -1.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1153 Cds-CdCd_Cds-CtCs CsJ-HHH 300-1500 2.10E+04 2.41 0 4.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1154 Cds-CdCd_Cds-CtCs CsJ-CsHH 300-1500 2.13E+03 2.41 0 4.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1155 Cds-CdCd_Cds-CtCs CsJ-CsCsH 300-1500 1.71E+03 2.41 0 3.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1156 Cds-CdCd_Cds-CtCs CsJ-CsCsCs 300-1500 1.27E+03 2.41 0 1.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1157 Cds-CdCd_Cds-CtCs CsJ-CdHH 300-1500 2.22E+04 2.41 0 11.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1158 Cds-CdCd_Cds-CtCs CsJ-CdCsH 300-1500 3.86E+03 2.41 0 10.88 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1159 Cds-CdCd_Cds-CtCs CsJ-CdCsCs 300-1500 4.99E+02 2.41 0 9.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1160 Cds-CdCd_Cds-CtCs CsJ-CdCdH 300-1500 7.79E+03 2.41 0 15.67 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1161 Cds-CdCd_Cds-CtCs CsJ-CdCdCs 300-1500 2.66E+03 2.41 0 15.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1162 Cds-CdCd_Cds-CtCs CsJ-CbHH 300-1500 1.03E+04 2.41 0 8.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1163 Cds-CdCd_Cds-CtCs CsJ-CbCsH 300-1500 2.53E+03 2.41 0 8.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1164 Cds-CdCd_Cds-CtCs CsJ-CbCsCs 300-1500 4.05E+02 2.41 0 7.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1165 Cds-CdCd_Cds-CtCs CsJ-CtHH 300-1500 9.50E+03 2.41 0 8.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1166 Cds-CdCd_Cds-CtCs CsJ-CtCsH 300-1500 2.14E+03 2.41 0 8.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1167 Cds-CdCd_Cds-CtCs CsJ-CtCsCs 300-1500 5.47E+02 2.41 0 7.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1168 Cds-CdCd_Cds-CtCs CdsJ-H 300-1500 1.44E+04 2.41 0 1.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1169 Cds-CdCd_Cds-CtCs CdsJ-Cs 300-1500 7.62E+03 2.41 0 0.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1170 Cds-CdCd_Cds-CtCs CbJ 300-1500 2.27E+04 2.41 0 -1.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1171 Cds-CdCd_Ca CsJ-HHH 300-1500 1.52E+04 2.41 0 8.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1172 Cds-CdCd_Ca CsJ-CsHH 300-1500 1.54E+03 2.41 0 8.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1173 Cds-CdCd_Ca CsJ-CsCsH 300-1500 1.24E+03 2.41 0 6.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1174 Cds-CdCd_Ca CsJ-CsCsCs 300-1500 9.15E+02 2.41 0 5.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1175 Cds-CdCd_Ca CsJ-CdHH 300-1500 1.60E+04 2.41 0 15.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1176 Cds-CdCd_Ca CsJ-CdCsH 300-1500 2.79E+03 2.41 0 14.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1177 Cds-CdCd_Ca CsJ-CdCsCs 300-1500 3.60E+02 2.41 0 13.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1178 Cds-CdCd_Ca CsJ-CdCdH 300-1500 5.62E+03 2.41 0 19.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1179 Cds-CdCd_Ca CsJ-CdCdCs 300-1500 1.92E+03 2.41 0 19.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1180 Cds-CdCd_Ca CsJ-CbHH 300-1500 7.42E+03 2.41 0 12.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1181 Cds-CdCd_Ca CsJ-CbCsH 300-1500 1.82E+03 2.41 0 12.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1182 Cds-CdCd_Ca CsJ-CbCsCs 300-1500 2.92E+02 2.41 0 11.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1183 Cds-CdCd_Ca CsJ-CtHH 300-1500 6.86E+03 2.41 0 12.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1184 Cds-CdCd_Ca CsJ-CtCsH 300-1500 1.55E+03 2.41 0 12.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1185 Cds-CdCd_Ca CsJ-CtCsCs 300-1500 3.94E+02 2.41 0 11.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1186 Cds-CdCd_Ca CdsJ-H 300-1500 1.04E+04 2.41 0 4.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1187 Cds-CdCd_Ca CdsJ-Cs 300-1500 5.50E+03 2.41 0 4.70 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1188 Cds-CdCd_Ca CbJ 300-1500 1.64E+04 2.41 0 2.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1189 Cds-CbH_Cds-HH CsJ-HHH 300-1500 3.75E+03 2.41 0 8.54 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1190 Cds-CbH_Cds-HH CsJ-CsHH 300-1500 3.80E+02 2.41 0 7.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1191 Cds-CbH_Cds-HH CsJ-CsCsH 300-1500 3.05E+02 2.41 0 6.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1192 Cds-CbH_Cds-HH CsJ-CsCsCs 300-1500 2.26E+02 2.41 0 5.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1193 Cds-CbH_Cds-HH CsJ-CdHH 300-1500 3.95E+03 2.41 0 14.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1194 Cds-CbH_Cds-HH CsJ-CdCsH 300-1500 6.88E+02 2.41 0 14.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1195 Cds-CbH_Cds-HH CsJ-CdCsCs 300-1500 8.90E+01 2.41 0 13.62 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1196 Cds-CbH_Cds-HH CsJ-CdCdH 300-1500 1.39E+03 2.41 0 19.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1197 Cds-CbH_Cds-HH CsJ-CdCdCs 300-1500 4.74E+02 2.41 0 19.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1198 Cds-CbH_Cds-HH CsJ-CbHH 300-1500 1.83E+03 2.41 0 12.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1199 Cds-CbH_Cds-HH CsJ-CbCsH 300-1500 4.51E+02 2.41 0 11.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1200 Cds-CbH_Cds-HH CsJ-CbCsCs 300-1500 7.21E+01 2.41 0 11.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1201 Cds-CbH_Cds-HH CsJ-CtHH 300-1500 1.69E+03 2.41 0 12.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1202 Cds-CbH_Cds-HH CsJ-CtCsH 300-1500 3.82E+02 2.41 0 11.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1203 Cds-CbH_Cds-HH CsJ-CtCsCs 300-1500 9.75E+01 2.41 0 11.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1204 Cds-CbH_Cds-HH CdsJ-H 300-1500 2.56E+03 2.41 0 4.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1205 Cds-CbH_Cds-HH CdsJ-Cs 300-1500 1.36E+03 2.41 0 4.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1206 Cds-CbH_Cds-HH CbJ 300-1500 4.05E+03 2.41 0 2.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1207 Cds-CbH_Cds-CsH CsJ-HHH 300-1500 3.76E+03 2.41 0 8.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1208 Cds-CbH_Cds-CsH CsJ-CsHH 300-1500 3.82E+02 2.41 0 7.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1209 Cds-CbH_Cds-CsH CsJ-CsCsH 300-1500 3.06E+02 2.41 0 6.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1210 Cds-CbH_Cds-CsH CsJ-CsCsCs 300-1500 2.27E+02 2.41 0 5.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1211 Cds-CbH_Cds-CsH CsJ-CdHH 300-1500 3.97E+03 2.41 0 14.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1212 Cds-CbH_Cds-CsH CsJ-CdCsH 300-1500 6.91E+02 2.41 0 14.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1213 Cds-CbH_Cds-CsH CsJ-CdCsCs 300-1500 8.94E+01 2.41 0 13.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1214 Cds-CbH_Cds-CsH CsJ-CdCdH 300-1500 1.39E+03 2.41 0 19.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1215 Cds-CbH_Cds-CsH CsJ-CdCdCs 300-1500 4.76E+02 2.41 0 18.88 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1216 Cds-CbH_Cds-CsH CsJ-CbHH 300-1500 1.84E+03 2.41 0 12.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1217 Cds-CbH_Cds-CsH CsJ-CbCsH 300-1500 4.53E+02 2.41 0 11.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1218 Cds-CbH_Cds-CsH CsJ-CbCsCs 300-1500 7.24E+01 2.41 0 10.96 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1219 Cds-CbH_Cds-CsH CsJ-CtHH 300-1500 1.70E+03 2.41 0 11.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1220 Cds-CbH_Cds-CsH CsJ-CtCsH 300-1500 3.84E+02 2.41 0 11.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1221 Cds-CbH_Cds-CsH CsJ-CtCsCs 300-1500 9.79E+01 2.41 0 10.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1222 Cds-CbH_Cds-CsH CdsJ-H 300-1500 2.57E+03 2.41 0 4.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1223 Cds-CbH_Cds-CsH CdsJ-Cs 300-1500 1.36E+03 2.41 0 4.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1224 Cds-CbH_Cds-CsH CbJ 300-1500 4.06E+03 2.41 0 2.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1225 Cds-CbH_Cds-CsCs CsJ-HHH 300-1500 4.73E+03 2.41 0 7.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1226 Cds-CbH_Cds-CsCs CsJ-CsHH 300-1500 4.81E+02 2.41 0 7.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1227 Cds-CbH_Cds-CsCs CsJ-CsCsH 300-1500 3.86E+02 2.41 0 6.08 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1228 Cds-CbH_Cds-CsCs CsJ-CsCsCs 300-1500 2.86E+02 2.41 0 4.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1229 Cds-CbH_Cds-CsCs CsJ-CdHH 300-1500 4.99E+03 2.41 0 14.13 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1230 Cds-CbH_Cds-CsCs CsJ-CdCsH 300-1500 8.70E+02 2.41 0 13.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1231 Cds-CbH_Cds-CsCs CsJ-CdCsCs 300-1500 1.12E+02 2.41 0 12.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1232 Cds-CbH_Cds-CsCs CsJ-CdCdH 300-1500 1.75E+03 2.41 0 18.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1233 Cds-CbH_Cds-CsCs CsJ-CdCdCs 300-1500 5.99E+02 2.41 0 18.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1234 Cds-CbH_Cds-CsCs CsJ-CbHH 300-1500 2.32E+03 2.41 0 11.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1235 Cds-CbH_Cds-CsCs CsJ-CbCsH 300-1500 5.70E+02 2.41 0 11.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1236 Cds-CbH_Cds-CsCs CsJ-CbCsCs 300-1500 9.11E+01 2.41 0 10.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1237 Cds-CbH_Cds-CsCs CsJ-CtHH 300-1500 2.14E+03 2.41 0 11.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1238 Cds-CbH_Cds-CsCs CsJ-CtCsH 300-1500 4.83E+02 2.41 0 11.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1239 Cds-CbH_Cds-CsCs CsJ-CtCsCs 300-1500 1.23E+02 2.41 0 10.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1240 Cds-CbH_Cds-CsCs CdsJ-H 300-1500 3.24E+03 2.41 0 4.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1241 Cds-CbH_Cds-CsCs CdsJ-Cs 300-1500 1.72E+03 2.41 0 3.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1242 Cds-CbH_Cds-CsCs CbJ 300-1500 5.11E+03 2.41 0 1.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1243 Cds-CbH_Cds-CdH CsJ-HHH 300-1500 4.22E+03 2.41 0 5.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1244 Cds-CbH_Cds-CdH CsJ-CsHH 300-1500 4.29E+02 2.41 0 4.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1245 Cds-CbH_Cds-CdH CsJ-CsCsH 300-1500 3.44E+02 2.41 0 3.67 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1246 Cds-CbH_Cds-CdH CsJ-CsCsCs 300-1500 2.55E+02 2.41 0 2.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1247 Cds-CbH_Cds-CdH CsJ-CdHH 300-1500 4.46E+03 2.41 0 11.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1248 Cds-CbH_Cds-CdH CsJ-CdCsH 300-1500 7.76E+02 2.41 0 11.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1249 Cds-CbH_Cds-CdH CsJ-CdCsCs 300-1500 1.00E+02 2.41 0 10.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1250 Cds-CbH_Cds-CdH CsJ-CdCdH 300-1500 1.57E+03 2.41 0 16.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1251 Cds-CbH_Cds-CdH CsJ-CdCdCs 300-1500 5.34E+02 2.41 0 16.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1252 Cds-CbH_Cds-CdH CsJ-CbHH 300-1500 2.07E+03 2.41 0 9.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1253 Cds-CbH_Cds-CdH CsJ-CbCsH 300-1500 5.08E+02 2.41 0 8.70 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1254 Cds-CbH_Cds-CdH CsJ-CbCsCs 300-1500 8.13E+01 2.41 0 8.16 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1255 Cds-CbH_Cds-CdH CsJ-CtHH 300-1500 1.91E+03 2.41 0 9.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1256 Cds-CbH_Cds-CdH CsJ-CtCsH 300-1500 4.31E+02 2.41 0 8.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1257 Cds-CbH_Cds-CdH CsJ-CtCsCs 300-1500 1.10E+02 2.41 0 8.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1258 Cds-CbH_Cds-CdH CdsJ-H 300-1500 2.89E+03 2.41 0 1.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1259 Cds-CbH_Cds-CdH CdsJ-Cs 300-1500 1.53E+03 2.41 0 1.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1260 Cds-CbH_Cds-CdH CbJ 300-1500 4.56E+03 2.41 0 -0.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1261 Cds-CbH_Cds-CdCs CsJ-HHH 300-1500 4.79E+03 2.41 0 5.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1262 Cds-CbH_Cds-CdCs CsJ-CsHH 300-1500 4.87E+02 2.41 0 4.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1263 Cds-CbH_Cds-CdCs CsJ-CsCsH 300-1500 3.91E+02 2.41 0 3.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1264 Cds-CbH_Cds-CdCs CsJ-CsCsCs 300-1500 2.89E+02 2.41 0 1.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1265 Cds-CbH_Cds-CdCs CsJ-CdHH 300-1500 5.06E+03 2.41 0 11.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1266 Cds-CbH_Cds-CdCs CsJ-CdCsH 300-1500 8.81E+02 2.41 0 11.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1267 Cds-CbH_Cds-CdCs CsJ-CdCsCs 300-1500 1.14E+02 2.41 0 10.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1268 Cds-CbH_Cds-CdCs CsJ-CdCdH 300-1500 1.78E+03 2.41 0 15.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1269 Cds-CbH_Cds-CdCs CsJ-CdCdCs 300-1500 6.06E+02 2.41 0 15.67 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1270 Cds-CbH_Cds-CdCs CsJ-CbHH 300-1500 2.35E+03 2.41 0 8.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1271 Cds-CbH_Cds-CdCs CsJ-CbCsH 300-1500 5.77E+02 2.41 0 8.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1272 Cds-CbH_Cds-CdCs CsJ-CbCsCs 300-1500 9.23E+01 2.41 0 7.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1273 Cds-CbH_Cds-CdCs CsJ-CtHH 300-1500 2.17E+03 2.41 0 8.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1274 Cds-CbH_Cds-CdCs CsJ-CtCsH 300-1500 4.89E+02 2.41 0 8.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1275 Cds-CbH_Cds-CdCs CsJ-CtCsCs 300-1500 1.25E+02 2.41 0 7.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1276 Cds-CbH_Cds-CdCs CdsJ-H 300-1500 3.28E+03 2.41 0 1.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1277 Cds-CbH_Cds-CdCs CdsJ-Cs 300-1500 1.74E+03 2.41 0 0.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1278 Cds-CbH_Cds-CdCs CbJ 300-1500 5.18E+03 2.41 0 -1.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1279 Cds-CbH_Cds-CdCd CsJ-HHH 300-1500 1.46E+04 2.41 0 4.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1280 Cds-CbH_Cds-CdCd CsJ-CsHH 300-1500 1.48E+03 2.41 0 3.54 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1281 Cds-CbH_Cds-CdCd CsJ-CsCsH 300-1500 1.19E+03 2.41 0 2.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1282 Cds-CbH_Cds-CdCd CsJ-CsCsCs 300-1500 8.81E+02 2.41 0 0.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1283 Cds-CbH_Cds-CdCd CsJ-CdHH 300-1500 1.54E+04 2.41 0 10.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1284 Cds-CbH_Cds-CdCd CsJ-CdCsH 300-1500 2.68E+03 2.41 0 10.16 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1285 Cds-CbH_Cds-CdCd CsJ-CdCsCs 300-1500 3.47E+02 2.41 0 9.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1286 Cds-CbH_Cds-CdCd CsJ-CdCdH 300-1500 5.41E+03 2.41 0 14.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1287 Cds-CbH_Cds-CdCd CsJ-CdCdCs 300-1500 1.85E+03 2.41 0 14.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1288 Cds-CbH_Cds-CdCd CsJ-CbHH 300-1500 7.15E+03 2.41 0 8.08 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1289 Cds-CbH_Cds-CdCd CsJ-CbCsH 300-1500 1.76E+03 2.41 0 7.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1290 Cds-CbH_Cds-CdCd CsJ-CbCsCs 300-1500 2.81E+02 2.41 0 6.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1291 Cds-CbH_Cds-CdCd CsJ-CtHH 300-1500 6.61E+03 2.41 0 7.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1292 Cds-CbH_Cds-CdCd CsJ-CtCsH 300-1500 1.49E+03 2.41 0 7.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1293 Cds-CbH_Cds-CdCd CsJ-CtCsCs 300-1500 3.80E+02 2.41 0 6.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1294 Cds-CbH_Cds-CdCd CdsJ-H 300-1500 9.99E+03 2.41 0 0.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1295 Cds-CbH_Cds-CdCd CdsJ-Cs 300-1500 5.30E+03 2.41 0 0.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1296 Cds-CbH_Cds-CdCd CbJ 300-1500 1.58E+04 2.41 0 -2.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1297 Cds-CbH_Cds-CbH CsJ-HHH 300-1500 1.38E+03 2.41 0 7.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1298 Cds-CbH_Cds-CbH CsJ-CsHH 300-1500 1.40E+02 2.41 0 6.62 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1299 Cds-CbH_Cds-CbH CsJ-CsCsH 300-1500 1.12E+02 2.41 0 5.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1300 Cds-CbH_Cds-CbH CsJ-CsCsCs 300-1500 8.32E+01 2.41 0 4.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1301 Cds-CbH_Cds-CbH CsJ-CdHH 300-1500 1.45E+03 2.41 0 13.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1302 Cds-CbH_Cds-CbH CsJ-CdCsH 300-1500 2.53E+02 2.41 0 13.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1303 Cds-CbH_Cds-CbH CsJ-CdCsCs 300-1500 3.28E+01 2.41 0 12.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1304 Cds-CbH_Cds-CbH CsJ-CdCdH 300-1500 5.11E+02 2.41 0 18.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1305 Cds-CbH_Cds-CbH CsJ-CdCdCs 300-1500 1.74E+02 2.41 0 17.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1306 Cds-CbH_Cds-CbH CsJ-CbHH 300-1500 6.75E+02 2.41 0 11.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1307 Cds-CbH_Cds-CbH CsJ-CbCsH 300-1500 1.66E+02 2.41 0 10.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1308 Cds-CbH_Cds-CbH CsJ-CbCsCs 300-1500 2.65E+01 2.41 0 9.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1309 Cds-CbH_Cds-CbH CsJ-CtHH 300-1500 6.24E+02 2.41 0 10.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1310 Cds-CbH_Cds-CbH CsJ-CtCsH 300-1500 1.41E+02 2.41 0 10.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1311 Cds-CbH_Cds-CbH CsJ-CtCsCs 300-1500 3.59E+01 2.41 0 9.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1312 Cds-CbH_Cds-CbH CdsJ-H 300-1500 9.43E+02 2.41 0 3.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1313 Cds-CbH_Cds-CbH CdsJ-Cs 300-1500 5.00E+02 2.41 0 3.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1314 Cds-CbH_Cds-CbH CbJ 300-1500 1.49E+03 2.41 0 0.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1315 Cds-CbH_Cds-CbCs CsJ-HHH 300-1500 2.92E+03 2.41 0 7.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1316 Cds-CbH_Cds-CbCs CsJ-CsHH 300-1500 2.97E+02 2.41 0 6.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1317 Cds-CbH_Cds-CbCs CsJ-CsCsH 300-1500 2.38E+02 2.41 0 5.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1318 Cds-CbH_Cds-CbCs CsJ-CsCsCs 300-1500 1.76E+02 2.41 0 3.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1319 Cds-CbH_Cds-CbCs CsJ-CdHH 300-1500 3.09E+03 2.41 0 13.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1320 Cds-CbH_Cds-CbCs CsJ-CdCsH 300-1500 5.37E+02 2.41 0 13.08 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1321 Cds-CbH_Cds-CbCs CsJ-CdCsCs 300-1500 6.95E+01 2.41 0 12.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1322 Cds-CbH_Cds-CbCs CsJ-CdCdH 300-1500 1.08E+03 2.41 0 17.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1323 Cds-CbH_Cds-CbCs CsJ-CdCdCs 300-1500 3.70E+02 2.41 0 17.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1324 Cds-CbH_Cds-CbCs CsJ-CbHH 300-1500 1.43E+03 2.41 0 10.99 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1325 Cds-CbH_Cds-CbCs CsJ-CbCsH 300-1500 3.52E+02 2.41 0 10.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1326 Cds-CbH_Cds-CbCs CsJ-CbCsCs 300-1500 5.63E+01 2.41 0 9.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1327 Cds-CbH_Cds-CbCs CsJ-CtHH 300-1500 1.32E+03 2.41 0 10.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1328 Cds-CbH_Cds-CbCs CsJ-CtCsH 300-1500 2.98E+02 2.41 0 10.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1329 Cds-CbH_Cds-CbCs CsJ-CtCsCs 300-1500 7.61E+01 2.41 0 9.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1330 Cds-CbH_Cds-CbCs CdsJ-H 300-1500 2.00E+03 2.41 0 3.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1331 Cds-CbH_Cds-CbCs CdsJ-Cs 300-1500 1.06E+03 2.41 0 2.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1332 Cds-CbH_Cds-CbCs CbJ 300-1500 3.16E+03 2.41 0 0.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1333 Cds-CbH_Cds-CtH CsJ-HHH 300-1500 5.47E+03 2.41 0 5.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1334 Cds-CbH_Cds-CtH CsJ-CsHH 300-1500 5.56E+02 2.41 0 4.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1335 Cds-CbH_Cds-CtH CsJ-CsCsH 300-1500 4.46E+02 2.41 0 3.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1336 Cds-CbH_Cds-CtH CsJ-CsCsCs 300-1500 3.30E+02 2.41 0 2.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1337 Cds-CbH_Cds-CtH CsJ-CdHH 300-1500 5.78E+03 2.41 0 11.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1338 Cds-CbH_Cds-CtH CsJ-CdCsH 300-1500 1.01E+03 2.41 0 11.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1339 Cds-CbH_Cds-CtH CsJ-CdCsCs 300-1500 1.30E+02 2.41 0 10.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1340 Cds-CbH_Cds-CtH CsJ-CdCdH 300-1500 2.03E+03 2.41 0 16.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1341 Cds-CbH_Cds-CtH CsJ-CdCdCs 300-1500 6.93E+02 2.41 0 15.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1342 Cds-CbH_Cds-CtH CsJ-CbHH 300-1500 2.68E+03 2.41 0 9.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1343 Cds-CbH_Cds-CtH CsJ-CbCsH 300-1500 6.59E+02 2.41 0 8.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1344 Cds-CbH_Cds-CtH CsJ-CbCsCs 300-1500 1.05E+02 2.41 0 8.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1345 Cds-CbH_Cds-CtH CsJ-CtHH 300-1500 2.48E+03 2.41 0 9.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1346 Cds-CbH_Cds-CtH CsJ-CtCsH 300-1500 5.58E+02 2.41 0 8.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1347 Cds-CbH_Cds-CtH CsJ-CtCsCs 300-1500 1.42E+02 2.41 0 7.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1348 Cds-CbH_Cds-CtH CdsJ-H 300-1500 3.75E+03 2.41 0 1.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1349 Cds-CbH_Cds-CtH CdsJ-Cs 300-1500 1.99E+03 2.41 0 1.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1350 Cds-CbH_Cds-CtH CbJ 300-1500 5.92E+03 2.41 0 -0.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1351 Cds-CbH_Cds-CtCs CsJ-HHH 300-1500 5.60E+03 2.41 0 5.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1352 Cds-CbH_Cds-CtCs CsJ-CsHH 300-1500 5.69E+02 2.41 0 4.62 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1353 Cds-CbH_Cds-CtCs CsJ-CsCsH 300-1500 4.57E+02 2.41 0 3.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1354 Cds-CbH_Cds-CtCs CsJ-CsCsCs 300-1500 3.38E+02 2.41 0 2.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1355 Cds-CbH_Cds-CtCs CsJ-CdHH 300-1500 5.91E+03 2.41 0 11.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1356 Cds-CbH_Cds-CtCs CsJ-CdCsH 300-1500 1.03E+03 2.41 0 11.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1357 Cds-CbH_Cds-CtCs CsJ-CdCsCs 300-1500 1.33E+02 2.41 0 10.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1358 Cds-CbH_Cds-CtCs CsJ-CdCdH 300-1500 2.08E+03 2.41 0 16.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1359 Cds-CbH_Cds-CtCs CsJ-CdCdCs 300-1500 7.09E+02 2.41 0 15.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1360 Cds-CbH_Cds-CtCs CsJ-CbHH 300-1500 2.74E+03 2.41 0 9.16 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1361 Cds-CbH_Cds-CtCs CsJ-CbCsH 300-1500 6.74E+02 2.41 0 8.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1362 Cds-CbH_Cds-CtCs CsJ-CbCsCs 300-1500 1.08E+02 2.41 0 7.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1363 Cds-CbH_Cds-CtCs CsJ-CtHH 300-1500 2.53E+03 2.41 0 8.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1364 Cds-CbH_Cds-CtCs CsJ-CtCsH 300-1500 5.72E+02 2.41 0 8.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1365 Cds-CbH_Cds-CtCs CsJ-CtCsCs 300-1500 1.46E+02 2.41 0 7.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1366 Cds-CbH_Cds-CtCs CdsJ-H 300-1500 3.83E+03 2.41 0 1.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1367 Cds-CbH_Cds-CtCs CdsJ-Cs 300-1500 2.03E+03 2.41 0 1.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1368 Cds-CbH_Cds-CtCs CbJ 300-1500 6.06E+03 2.41 0 -1.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1369 Cds-CbH_Ca CsJ-HHH 300-1500 4.04E+03 2.41 0 9.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1370 Cds-CbH_Ca CsJ-CsHH 300-1500 4.11E+02 2.41 0 8.54 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1371 Cds-CbH_Ca CsJ-CsCsH 300-1500 3.30E+02 2.41 0 7.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1372 Cds-CbH_Ca CsJ-CsCsCs 300-1500 2.44E+02 2.41 0 5.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1373 Cds-CbH_Ca CsJ-CdHH 300-1500 4.27E+03 2.41 0 15.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1374 Cds-CbH_Ca CsJ-CdCsH 300-1500 7.43E+02 2.41 0 15.16 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1375 Cds-CbH_Ca CsJ-CdCsCs 300-1500 9.61E+01 2.41 0 14.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1376 Cds-CbH_Ca CsJ-CdCdH 300-1500 1.50E+03 2.41 0 19.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1377 Cds-CbH_Ca CsJ-CdCdCs 300-1500 5.12E+02 2.41 0 19.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1378 Cds-CbH_Ca CsJ-CbHH 300-1500 1.98E+03 2.41 0 13.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1379 Cds-CbH_Ca CsJ-CbCsH 300-1500 4.87E+02 2.41 0 12.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1380 Cds-CbH_Ca CsJ-CbCsCs 300-1500 7.79E+01 2.41 0 11.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1381 Cds-CbH_Ca CsJ-CtHH 300-1500 1.83E+03 2.41 0 12.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1382 Cds-CbH_Ca CsJ-CtCsH 300-1500 4.13E+02 2.41 0 12.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1383 Cds-CbH_Ca CsJ-CtCsCs 300-1500 1.05E+02 2.41 0 11.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1384 Cds-CbH_Ca CdsJ-H 300-1500 2.77E+03 2.41 0 5.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1385 Cds-CbH_Ca CdsJ-Cs 300-1500 1.47E+03 2.41 0 5.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1386 Cds-CbH_Ca CbJ 300-1500 4.37E+03 2.41 0 2.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1387 Cds-CbCs_Cds-HH CsJ-HHH 300-1500 3.34E+03 2.41 0 9.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1388 Cds-CbCs_Cds-HH CsJ-CsHH 300-1500 3.39E+02 2.41 0 9.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1389 Cds-CbCs_Cds-HH CsJ-CsCsH 300-1500 2.72E+02 2.41 0 7.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1390 Cds-CbCs_Cds-HH CsJ-CsCsCs 300-1500 2.01E+02 2.41 0 6.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1391 Cds-CbCs_Cds-HH CsJ-CdHH 300-1500 3.52E+03 2.41 0 16.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1392 Cds-CbCs_Cds-HH CsJ-CdCsH 300-1500 6.13E+02 2.41 0 15.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1393 Cds-CbCs_Cds-HH CsJ-CdCsCs 300-1500 7.93E+01 2.41 0 14.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1394 Cds-CbCs_Cds-HH CsJ-CdCdH 300-1500 1.24E+03 2.41 0 20.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1395 Cds-CbCs_Cds-HH CsJ-CdCdCs 300-1500 4.22E+02 2.41 0 20.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1396 Cds-CbCs_Cds-HH CsJ-CbHH 300-1500 1.63E+03 2.41 0 13.70 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1397 Cds-CbCs_Cds-HH CsJ-CbCsH 300-1500 4.02E+02 2.41 0 13.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1398 Cds-CbCs_Cds-HH CsJ-CbCsCs 300-1500 6.42E+01 2.41 0 12.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1399 Cds-CbCs_Cds-HH CsJ-CtHH 300-1500 1.51E+03 2.41 0 13.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1400 Cds-CbCs_Cds-HH CsJ-CtCsH 300-1500 3.40E+02 2.41 0 12.99 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1401 Cds-CbCs_Cds-HH CsJ-CtCsCs 300-1500 8.68E+01 2.41 0 12.31 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1402 Cds-CbCs_Cds-HH CdsJ-H 300-1500 2.28E+03 2.41 0 5.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1403 Cds-CbCs_Cds-HH CdsJ-Cs 300-1500 1.21E+03 2.41 0 5.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1404 Cds-CbCs_Cds-HH CbJ 300-1500 3.61E+03 2.41 0 3.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1405 Cds-CbCs_Cds-CsH CsJ-HHH 300-1500 3.35E+03 2.41 0 9.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1406 Cds-CbCs_Cds-CsH CsJ-CsHH 300-1500 3.40E+02 2.41 0 8.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1407 Cds-CbCs_Cds-CsH CsJ-CsCsH 300-1500 2.73E+02 2.41 0 7.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1408 Cds-CbCs_Cds-CsH CsJ-CsCsCs 300-1500 2.02E+02 2.41 0 6.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1409 Cds-CbCs_Cds-CsH CsJ-CdHH 300-1500 3.54E+03 2.41 0 15.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1410 Cds-CbCs_Cds-CsH CsJ-CdCsH 300-1500 6.16E+02 2.41 0 15.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1411 Cds-CbCs_Cds-CsH CsJ-CdCsCs 300-1500 7.96E+01 2.41 0 14.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1412 Cds-CbCs_Cds-CsH CsJ-CdCdH 300-1500 1.24E+03 2.41 0 20.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1413 Cds-CbCs_Cds-CsH CsJ-CdCdCs 300-1500 4.24E+02 2.41 0 20.08 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1414 Cds-CbCs_Cds-CsH CsJ-CbHH 300-1500 1.64E+03 2.41 0 13.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1415 Cds-CbCs_Cds-CsH CsJ-CbCsH 300-1500 4.03E+02 2.41 0 12.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1416 Cds-CbCs_Cds-CsH CsJ-CbCsCs 300-1500 6.45E+01 2.41 0 12.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1417 Cds-CbCs_Cds-CsH CsJ-CtHH 300-1500 1.52E+03 2.41 0 13.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1418 Cds-CbCs_Cds-CsH CsJ-CtCsH 300-1500 3.42E+02 2.41 0 12.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1419 Cds-CbCs_Cds-CsH CsJ-CtCsCs 300-1500 8.72E+01 2.41 0 11.99 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1420 Cds-CbCs_Cds-CsH CdsJ-H 300-1500 2.29E+03 2.41 0 5.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1421 Cds-CbCs_Cds-CsH CdsJ-Cs 300-1500 1.22E+03 2.41 0 5.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1422 Cds-CbCs_Cds-CsH CbJ 300-1500 3.62E+03 2.41 0 3.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1423 Cds-CbCs_Cds-CsCs CsJ-HHH 300-1500 4.21E+03 2.41 0 9.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1424 Cds-CbCs_Cds-CsCs CsJ-CsHH 300-1500 4.28E+02 2.41 0 8.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1425 Cds-CbCs_Cds-CsCs CsJ-CsCsH 300-1500 3.43E+02 2.41 0 7.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1426 Cds-CbCs_Cds-CsCs CsJ-CsCsCs 300-1500 2.54E+02 2.41 0 5.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1427 Cds-CbCs_Cds-CsCs CsJ-CdHH 300-1500 4.45E+03 2.41 0 15.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1428 Cds-CbCs_Cds-CsCs CsJ-CdCsH 300-1500 7.75E+02 2.41 0 15.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1429 Cds-CbCs_Cds-CsCs CsJ-CdCsCs 300-1500 1.00E+02 2.41 0 14.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1430 Cds-CbCs_Cds-CsCs CsJ-CdCdH 300-1500 1.56E+03 2.41 0 19.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1431 Cds-CbCs_Cds-CsCs CsJ-CdCdCs 300-1500 5.33E+02 2.41 0 19.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1432 Cds-CbCs_Cds-CsCs CsJ-CbHH 300-1500 2.06E+03 2.41 0 13.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1433 Cds-CbCs_Cds-CsCs CsJ-CbCsH 300-1500 5.07E+02 2.41 0 12.31 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1434 Cds-CbCs_Cds-CsCs CsJ-CbCsCs 300-1500 8.12E+01 2.41 0 11.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1435 Cds-CbCs_Cds-CsCs CsJ-CtHH 300-1500 1.91E+03 2.41 0 12.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1436 Cds-CbCs_Cds-CsCs CsJ-CtCsH 300-1500 4.30E+02 2.41 0 12.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1437 Cds-CbCs_Cds-CsCs CsJ-CtCsCs 300-1500 1.10E+02 2.41 0 11.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1438 Cds-CbCs_Cds-CsCs CdsJ-H 300-1500 2.88E+03 2.41 0 5.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1439 Cds-CbCs_Cds-CsCs CdsJ-Cs 300-1500 1.53E+03 2.41 0 5.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1440 Cds-CbCs_Cds-CsCs CbJ 300-1500 4.56E+03 2.41 0 2.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1441 Cds-CbCs_Cds-CdH CsJ-HHH 300-1500 3.76E+03 2.41 0 6.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1442 Cds-CbCs_Cds-CdH CsJ-CsHH 300-1500 3.82E+02 2.41 0 6.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1443 Cds-CbCs_Cds-CdH CsJ-CsCsH 300-1500 3.07E+02 2.41 0 4.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1444 Cds-CbCs_Cds-CdH CsJ-CsCsCs 300-1500 2.27E+02 2.41 0 3.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1445 Cds-CbCs_Cds-CdH CsJ-CdHH 300-1500 3.97E+03 2.41 0 12.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1446 Cds-CbCs_Cds-CdH CsJ-CdCsH 300-1500 6.91E+02 2.41 0 12.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1447 Cds-CbCs_Cds-CdH CsJ-CdCsCs 300-1500 8.94E+01 2.41 0 11.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1448 Cds-CbCs_Cds-CdH CsJ-CdCdH 300-1500 1.39E+03 2.41 0 17.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1449 Cds-CbCs_Cds-CdH CsJ-CdCdCs 300-1500 4.76E+02 2.41 0 17.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1450 Cds-CbCs_Cds-CdH CsJ-CbHH 300-1500 1.84E+03 2.41 0 10.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1451 Cds-CbCs_Cds-CdH CsJ-CbCsH 300-1500 4.53E+02 2.41 0 9.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1452 Cds-CbCs_Cds-CdH CsJ-CbCsCs 300-1500 7.24E+01 2.41 0 9.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1453 Cds-CbCs_Cds-CdH CsJ-CtHH 300-1500 1.70E+03 2.41 0 10.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1454 Cds-CbCs_Cds-CdH CsJ-CtCsH 300-1500 3.84E+02 2.41 0 9.88 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1455 Cds-CbCs_Cds-CdH CsJ-CtCsCs 300-1500 9.79E+01 2.41 0 9.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1456 Cds-CbCs_Cds-CdH CdsJ-H 300-1500 2.57E+03 2.41 0 2.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1457 Cds-CbCs_Cds-CdH CdsJ-Cs 300-1500 1.36E+03 2.41 0 2.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1458 Cds-CbCs_Cds-CdH CbJ 300-1500 4.07E+03 2.41 0 0.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1459 Cds-CbCs_Cds-CdCs CsJ-HHH 300-1500 4.27E+03 2.41 0 6.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1460 Cds-CbCs_Cds-CdCs CsJ-CsHH 300-1500 4.34E+02 2.41 0 5.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1461 Cds-CbCs_Cds-CdCs CsJ-CsCsH 300-1500 3.48E+02 2.41 0 4.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1462 Cds-CbCs_Cds-CdCs CsJ-CsCsCs 300-1500 2.58E+02 2.41 0 3.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1463 Cds-CbCs_Cds-CdCs CsJ-CdHH 300-1500 4.51E+03 2.41 0 12.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1464 Cds-CbCs_Cds-CdCs CsJ-CdCsH 300-1500 7.85E+02 2.41 0 12.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1465 Cds-CbCs_Cds-CdCs CsJ-CdCsCs 300-1500 1.01E+02 2.41 0 11.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1466 Cds-CbCs_Cds-CdCs CsJ-CdCdH 300-1500 1.58E+03 2.41 0 17.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1467 Cds-CbCs_Cds-CdCs CsJ-CdCdCs 300-1500 5.40E+02 2.41 0 16.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1468 Cds-CbCs_Cds-CdCs CsJ-CbHH 300-1500 2.09E+03 2.41 0 10.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1469 Cds-CbCs_Cds-CdCs CsJ-CbCsH 300-1500 5.14E+02 2.41 0 9.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1470 Cds-CbCs_Cds-CdCs CsJ-CbCsCs 300-1500 8.22E+01 2.41 0 8.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1471 Cds-CbCs_Cds-CdCs CsJ-CtHH 300-1500 1.93E+03 2.41 0 9.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1472 Cds-CbCs_Cds-CdCs CsJ-CtCsH 300-1500 4.35E+02 2.41 0 9.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1473 Cds-CbCs_Cds-CdCs CsJ-CtCsCs 300-1500 1.11E+02 2.41 0 8.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1474 Cds-CbCs_Cds-CdCs CdsJ-H 300-1500 2.92E+03 2.41 0 2.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1475 Cds-CbCs_Cds-CdCs CdsJ-Cs 300-1500 1.55E+03 2.41 0 2.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1476 Cds-CbCs_Cds-CdCs CbJ 300-1500 4.61E+03 2.41 0 0.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1477 Cds-CbCs_Cds-CdCd CsJ-HHH 300-1500 1.30E+04 2.41 0 5.31 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1478 Cds-CbCs_Cds-CdCd CsJ-CsHH 300-1500 1.32E+03 2.41 0 4.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1479 Cds-CbCs_Cds-CdCd CsJ-CsCsH 300-1500 1.06E+03 2.41 0 3.54 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1480 Cds-CbCs_Cds-CdCd CsJ-CsCsCs 300-1500 7.85E+02 2.41 0 2.13 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1481 Cds-CbCs_Cds-CdCd CsJ-CdHH 300-1500 1.37E+04 2.41 0 11.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1482 Cds-CbCs_Cds-CdCd CsJ-CdCsH 300-1500 2.39E+03 2.41 0 11.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1483 Cds-CbCs_Cds-CdCd CsJ-CdCsCs 300-1500 3.09E+02 2.41 0 10.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1484 Cds-CbCs_Cds-CdCd CsJ-CdCdH 300-1500 4.82E+03 2.41 0 16.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1485 Cds-CbCs_Cds-CdCd CsJ-CdCdCs 300-1500 1.65E+03 2.41 0 15.96 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1486 Cds-CbCs_Cds-CdCd CsJ-CbHH 300-1500 6.37E+03 2.41 0 9.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1487 Cds-CbCs_Cds-CdCd CsJ-CbCsH 300-1500 1.57E+03 2.41 0 8.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1488 Cds-CbCs_Cds-CdCd CsJ-CbCsCs 300-1500 2.51E+02 2.41 0 8.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1489 Cds-CbCs_Cds-CdCd CsJ-CtHH 300-1500 5.89E+03 2.41 0 9.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1490 Cds-CbCs_Cds-CdCd CsJ-CtCsH 300-1500 1.33E+03 2.41 0 8.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1491 Cds-CbCs_Cds-CdCd CsJ-CtCsCs 300-1500 3.39E+02 2.41 0 7.88 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1492 Cds-CbCs_Cds-CdCd CdsJ-H 300-1500 8.90E+03 2.41 0 1.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1493 Cds-CbCs_Cds-CdCd CdsJ-Cs 300-1500 4.72E+03 2.41 0 1.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1494 Cds-CbCs_Cds-CdCd CbJ 300-1500 1.41E+04 2.41 0 -0.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1495 Cds-CbCs_Cds-CbH CsJ-HHH 300-1500 1.23E+03 2.41 0 8.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1496 Cds-CbCs_Cds-CbH CsJ-CsHH 300-1500 1.25E+02 2.41 0 7.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1497 Cds-CbCs_Cds-CbH CsJ-CsCsH 300-1500 1.00E+02 2.41 0 6.62 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1498 Cds-CbCs_Cds-CbH CsJ-CsCsCs 300-1500 7.41E+01 2.41 0 5.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1499 Cds-CbCs_Cds-CbH CsJ-CdHH 300-1500 1.30E+03 2.41 0 14.67 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1500 Cds-CbCs_Cds-CbH CsJ-CdCsH 300-1500 2.26E+02 2.41 0 14.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1501 Cds-CbCs_Cds-CbH CsJ-CdCsCs 300-1500 2.92E+01 2.41 0 13.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1502 Cds-CbCs_Cds-CbH CsJ-CdCdH 300-1500 4.55E+02 2.41 0 19.22 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1503 Cds-CbCs_Cds-CbH CsJ-CdCdCs 300-1500 1.55E+02 2.41 0 19.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1504 Cds-CbCs_Cds-CbH CsJ-CbHH 300-1500 6.01E+02 2.41 0 12.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1505 Cds-CbCs_Cds-CbH CsJ-CbCsH 300-1500 1.48E+02 2.41 0 11.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1506 Cds-CbCs_Cds-CbH CsJ-CbCsCs 300-1500 2.36E+01 2.41 0 11.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1507 Cds-CbCs_Cds-CbH CsJ-CtHH 300-1500 5.55E+02 2.41 0 12.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1508 Cds-CbCs_Cds-CbH CsJ-CtCsH 300-1500 1.25E+02 2.41 0 11.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1509 Cds-CbCs_Cds-CbH CsJ-CtCsCs 300-1500 3.20E+01 2.41 0 10.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1510 Cds-CbCs_Cds-CbH CdsJ-H 300-1500 8.40E+02 2.41 0 4.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1511 Cds-CbCs_Cds-CbH CdsJ-Cs 300-1500 4.45E+02 2.41 0 4.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1512 Cds-CbCs_Cds-CbH CbJ 300-1500 1.33E+03 2.41 0 2.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1513 Cds-CbCs_Cds-CbCs CsJ-HHH 300-1500 2.60E+03 2.41 0 8.22 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1514 Cds-CbCs_Cds-CbCs CsJ-CsHH 300-1500 2.65E+02 2.41 0 7.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1515 Cds-CbCs_Cds-CbCs CsJ-CsCsH 300-1500 2.12E+02 2.41 0 6.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1516 Cds-CbCs_Cds-CbCs CsJ-CsCsCs 300-1500 1.57E+02 2.41 0 5.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1517 Cds-CbCs_Cds-CbCs CsJ-CdHH 300-1500 2.75E+03 2.41 0 14.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1518 Cds-CbCs_Cds-CbCs CsJ-CdCsH 300-1500 4.79E+02 2.41 0 14.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1519 Cds-CbCs_Cds-CbCs CsJ-CdCsCs 300-1500 6.19E+01 2.41 0 13.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1520 Cds-CbCs_Cds-CbCs CsJ-CdCdH 300-1500 9.65E+02 2.41 0 19.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1521 Cds-CbCs_Cds-CbCs CsJ-CdCdCs 300-1500 3.29E+02 2.41 0 18.88 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1522 Cds-CbCs_Cds-CbCs CsJ-CbHH 300-1500 1.27E+03 2.41 0 12.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1523 Cds-CbCs_Cds-CbCs CsJ-CbCsH 300-1500 3.13E+02 2.41 0 11.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1524 Cds-CbCs_Cds-CbCs CsJ-CbCsCs 300-1500 5.01E+01 2.41 0 10.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1525 Cds-CbCs_Cds-CbCs CsJ-CtHH 300-1500 1.18E+03 2.41 0 11.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1526 Cds-CbCs_Cds-CbCs CsJ-CtCsH 300-1500 2.66E+02 2.41 0 11.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1527 Cds-CbCs_Cds-CbCs CsJ-CtCsCs 300-1500 6.78E+01 2.41 0 10.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1528 Cds-CbCs_Cds-CbCs CdsJ-H 300-1500 1.78E+03 2.41 0 4.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1529 Cds-CbCs_Cds-CbCs CdsJ-Cs 300-1500 9.45E+02 2.41 0 4.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1530 Cds-CbCs_Cds-CbCs CbJ 300-1500 2.81E+03 2.41 0 2.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1531 Cds-CbCs_Cds-CtH CsJ-HHH 300-1500 4.88E+03 2.41 0 6.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1532 Cds-CbCs_Cds-CtH CsJ-CsHH 300-1500 4.95E+02 2.41 0 5.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1533 Cds-CbCs_Cds-CtH CsJ-CsCsH 300-1500 3.97E+02 2.41 0 4.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1534 Cds-CbCs_Cds-CtH CsJ-CsCsCs 300-1500 2.94E+02 2.41 0 3.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1535 Cds-CbCs_Cds-CtH CsJ-CdHH 300-1500 5.15E+03 2.41 0 12.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1536 Cds-CbCs_Cds-CtH CsJ-CdCsH 300-1500 8.96E+02 2.41 0 12.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1537 Cds-CbCs_Cds-CtH CsJ-CdCsCs 300-1500 1.16E+02 2.41 0 11.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1538 Cds-CbCs_Cds-CtH CsJ-CdCdH 300-1500 1.81E+03 2.41 0 17.31 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1539 Cds-CbCs_Cds-CtH CsJ-CdCdCs 300-1500 6.17E+02 2.41 0 17.13 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1540 Cds-CbCs_Cds-CtH CsJ-CbHH 300-1500 2.39E+03 2.41 0 10.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1541 Cds-CbCs_Cds-CtH CsJ-CbCsH 300-1500 5.87E+02 2.41 0 9.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1542 Cds-CbCs_Cds-CtH CsJ-CbCsCs 300-1500 9.39E+01 2.41 0 9.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1543 Cds-CbCs_Cds-CtH CsJ-CtHH 300-1500 2.21E+03 2.41 0 10.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1544 Cds-CbCs_Cds-CtH CsJ-CtCsH 300-1500 4.97E+02 2.41 0 9.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1545 Cds-CbCs_Cds-CtH CsJ-CtCsCs 300-1500 1.27E+02 2.41 0 9.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1546 Cds-CbCs_Cds-CtH CdsJ-H 300-1500 3.34E+03 2.41 0 2.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1547 Cds-CbCs_Cds-CtH CdsJ-Cs 300-1500 1.77E+03 2.41 0 2.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1548 Cds-CbCs_Cds-CtH CbJ 300-1500 5.27E+03 2.41 0 0.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1549 Cds-CbCs_Cds-CtCs CsJ-HHH 300-1500 4.99E+03 2.41 0 6.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1550 Cds-CbCs_Cds-CtCs CsJ-CsHH 300-1500 5.07E+02 2.41 0 5.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1551 Cds-CbCs_Cds-CtCs CsJ-CsCsH 300-1500 4.07E+02 2.41 0 4.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1552 Cds-CbCs_Cds-CtCs CsJ-CsCsCs 300-1500 3.01E+02 2.41 0 3.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1553 Cds-CbCs_Cds-CtCs CsJ-CdHH 300-1500 5.27E+03 2.41 0 12.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1554 Cds-CbCs_Cds-CtCs CsJ-CdCsH 300-1500 9.18E+02 2.41 0 12.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1555 Cds-CbCs_Cds-CtCs CsJ-CdCsCs 300-1500 1.19E+02 2.41 0 11.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1556 Cds-CbCs_Cds-CtCs CsJ-CdCdH 300-1500 1.85E+03 2.41 0 17.22 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1557 Cds-CbCs_Cds-CtCs CsJ-CdCdCs 300-1500 6.32E+02 2.41 0 17.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1558 Cds-CbCs_Cds-CtCs CsJ-CbHH 300-1500 2.44E+03 2.41 0 10.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1559 Cds-CbCs_Cds-CtCs CsJ-CbCsH 300-1500 6.01E+02 2.41 0 9.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1560 Cds-CbCs_Cds-CtCs CsJ-CbCsCs 300-1500 9.61E+01 2.41 0 9.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1561 Cds-CbCs_Cds-CtCs CsJ-CtHH 300-1500 2.26E+03 2.41 0 10.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1562 Cds-CbCs_Cds-CtCs CsJ-CtCsH 300-1500 5.09E+02 2.41 0 9.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1563 Cds-CbCs_Cds-CtCs CsJ-CtCsCs 300-1500 1.30E+02 2.41 0 8.96 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1564 Cds-CbCs_Cds-CtCs CdsJ-H 300-1500 3.42E+03 2.41 0 2.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1565 Cds-CbCs_Cds-CtCs CdsJ-Cs 300-1500 1.81E+03 2.41 0 2.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1566 Cds-CbCs_Cds-CtCs CbJ 300-1500 5.40E+03 2.41 0 0.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1567 Cds-CbCs_Ca CsJ-HHH 300-1500 3.60E+03 2.41 0 10.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1568 Cds-CbCs_Ca CsJ-CsHH 300-1500 3.66E+02 2.41 0 9.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1569 Cds-CbCs_Ca CsJ-CsCsH 300-1500 2.94E+02 2.41 0 8.54 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1570 Cds-CbCs_Ca CsJ-CsCsCs 300-1500 2.17E+02 2.41 0 7.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1571 Cds-CbCs_Ca CsJ-CdHH 300-1500 3.80E+03 2.41 0 16.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1572 Cds-CbCs_Ca CsJ-CdCsH 300-1500 6.62E+02 2.41 0 16.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1573 Cds-CbCs_Ca CsJ-CdCsCs 300-1500 8.56E+01 2.41 0 15.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1574 Cds-CbCs_Ca CsJ-CdCdH 300-1500 1.34E+03 2.41 0 21.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1575 Cds-CbCs_Ca CsJ-CdCdCs 300-1500 4.56E+02 2.41 0 20.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1576 Cds-CbCs_Ca CsJ-CbHH 300-1500 1.76E+03 2.41 0 14.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1577 Cds-CbCs_Ca CsJ-CbCsH 300-1500 4.34E+02 2.41 0 13.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1578 Cds-CbCs_Ca CsJ-CbCsCs 300-1500 6.94E+01 2.41 0 13.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1579 Cds-CbCs_Ca CsJ-CtHH 300-1500 1.63E+03 2.41 0 14.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1580 Cds-CbCs_Ca CsJ-CtCsH 300-1500 3.67E+02 2.41 0 13.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1581 Cds-CbCs_Ca CsJ-CtCsCs 300-1500 9.37E+01 2.41 0 12.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1582 Cds-CbCs_Ca CdsJ-H 300-1500 2.46E+03 2.41 0 6.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1583 Cds-CbCs_Ca CdsJ-Cs 300-1500 1.31E+03 2.41 0 6.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1584 Cds-CbCs_Ca CbJ 300-1500 3.89E+03 2.41 0 4.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1585 Cds-CtH_Cds-HH CsJ-HHH 300-1500 1.46E+04 2.41 0 6.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1586 Cds-CtH_Cds-HH CsJ-CsHH 300-1500 1.48E+03 2.41 0 5.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1587 Cds-CtH_Cds-HH CsJ-CsCsH 300-1500 1.19E+03 2.41 0 4.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1588 Cds-CtH_Cds-HH CsJ-CsCsCs 300-1500 8.80E+02 2.41 0 3.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1589 Cds-CtH_Cds-HH CsJ-CdHH 300-1500 1.54E+04 2.41 0 12.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1590 Cds-CtH_Cds-HH CsJ-CdCsH 300-1500 2.68E+03 2.41 0 12.54 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1591 Cds-CtH_Cds-HH CsJ-CdCsCs 300-1500 3.47E+02 2.41 0 11.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1592 Cds-CtH_Cds-HH CsJ-CdCdH 300-1500 5.41E+03 2.41 0 17.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1593 Cds-CtH_Cds-HH CsJ-CdCdCs 300-1500 1.85E+03 2.41 0 17.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1594 Cds-CtH_Cds-HH CsJ-CbHH 300-1500 7.14E+03 2.41 0 10.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1595 Cds-CtH_Cds-HH CsJ-CbCsH 300-1500 1.76E+03 2.41 0 9.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1596 Cds-CtH_Cds-HH CsJ-CbCsCs 300-1500 2.81E+02 2.41 0 9.22 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1597 Cds-CtH_Cds-HH CsJ-CtHH 300-1500 6.60E+03 2.41 0 10.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1598 Cds-CtH_Cds-HH CsJ-CtCsH 300-1500 1.49E+03 2.41 0 9.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1599 Cds-CtH_Cds-HH CsJ-CtCsCs 300-1500 3.80E+02 2.41 0 9.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1600 Cds-CtH_Cds-HH CdsJ-H 300-1500 9.98E+03 2.41 0 2.67 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1601 Cds-CtH_Cds-HH CdsJ-Cs 300-1500 5.29E+03 2.41 0 2.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1602 Cds-CtH_Cds-HH CbJ 300-1500 1.58E+04 2.41 0 0.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1603 Cds-CtH_Cds-CsH CsJ-HHH 300-1500 1.46E+04 2.41 0 6.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1604 Cds-CtH_Cds-CsH CsJ-CsHH 300-1500 1.49E+03 2.41 0 5.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1605 Cds-CtH_Cds-CsH CsJ-CsCsH 300-1500 1.19E+03 2.41 0 4.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1606 Cds-CtH_Cds-CsH CsJ-CsCsCs 300-1500 8.84E+02 2.41 0 3.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1607 Cds-CtH_Cds-CsH CsJ-CdHH 300-1500 1.55E+04 2.41 0 12.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1608 Cds-CtH_Cds-CsH CsJ-CdCsH 300-1500 2.69E+03 2.41 0 12.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1609 Cds-CtH_Cds-CsH CsJ-CdCsCs 300-1500 3.48E+02 2.41 0 11.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1610 Cds-CtH_Cds-CsH CsJ-CdCdH 300-1500 5.43E+03 2.41 0 17.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1611 Cds-CtH_Cds-CsH CsJ-CdCdCs 300-1500 1.85E+03 2.41 0 16.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1612 Cds-CtH_Cds-CsH CsJ-CbHH 300-1500 7.17E+03 2.41 0 10.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1613 Cds-CtH_Cds-CsH CsJ-CbCsH 300-1500 1.76E+03 2.41 0 9.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1614 Cds-CtH_Cds-CsH CsJ-CbCsCs 300-1500 2.82E+02 2.41 0 8.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1615 Cds-CtH_Cds-CsH CsJ-CtHH 300-1500 6.63E+03 2.41 0 9.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1616 Cds-CtH_Cds-CsH CsJ-CtCsH 300-1500 1.49E+03 2.41 0 9.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1617 Cds-CtH_Cds-CsH CsJ-CtCsCs 300-1500 3.81E+02 2.41 0 8.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1618 Cds-CtH_Cds-CsH CdsJ-H 300-1500 1.00E+04 2.41 0 2.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1619 Cds-CtH_Cds-CsH CdsJ-Cs 300-1500 5.31E+03 2.41 0 2.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1620 Cds-CtH_Cds-CsH CbJ 300-1500 1.58E+04 2.41 0 -0.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1621 Cds-CtH_Cds-CsCs CsJ-HHH 300-1500 1.84E+04 2.41 0 5.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1622 Cds-CtH_Cds-CsCs CsJ-CsHH 300-1500 1.87E+03 2.41 0 5.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1623 Cds-CtH_Cds-CsCs CsJ-CsCsH 300-1500 1.50E+03 2.41 0 4.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1624 Cds-CtH_Cds-CsCs CsJ-CsCsCs 300-1500 1.11E+03 2.41 0 2.62 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1625 Cds-CtH_Cds-CsCs CsJ-CdHH 300-1500 1.94E+04 2.41 0 12.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1626 Cds-CtH_Cds-CsCs CsJ-CdCsH 300-1500 3.39E+03 2.41 0 11.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1627 Cds-CtH_Cds-CsCs CsJ-CdCsCs 300-1500 4.38E+02 2.41 0 10.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1628 Cds-CtH_Cds-CsCs CsJ-CdCdH 300-1500 6.83E+03 2.41 0 16.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1629 Cds-CtH_Cds-CsCs CsJ-CdCdCs 300-1500 2.33E+03 2.41 0 16.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1630 Cds-CtH_Cds-CsCs CsJ-CbHH 300-1500 9.02E+03 2.41 0 9.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1631 Cds-CtH_Cds-CsCs CsJ-CbCsH 300-1500 2.22E+03 2.41 0 9.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1632 Cds-CtH_Cds-CsCs CsJ-CbCsCs 300-1500 3.55E+02 2.41 0 8.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1633 Cds-CtH_Cds-CsCs CsJ-CtHH 300-1500 8.34E+03 2.41 0 9.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1634 Cds-CtH_Cds-CsCs CsJ-CtCsH 300-1500 1.88E+03 2.41 0 9.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1635 Cds-CtH_Cds-CsCs CsJ-CtCsCs 300-1500 4.80E+02 2.41 0 8.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1636 Cds-CtH_Cds-CsCs CdsJ-H 300-1500 1.26E+04 2.41 0 1.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1637 Cds-CtH_Cds-CsCs CdsJ-Cs 300-1500 6.69E+03 2.41 0 1.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1638 Cds-CtH_Cds-CsCs CbJ 300-1500 1.99E+04 2.41 0 -0.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1639 Cds-CtH_Cds-CdH CsJ-HHH 300-1500 1.64E+04 2.41 0 3.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1640 Cds-CtH_Cds-CdH CsJ-CsHH 300-1500 1.67E+03 2.41 0 2.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1641 Cds-CtH_Cds-CdH CsJ-CsCsH 300-1500 1.34E+03 2.41 0 1.62 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1642 Cds-CtH_Cds-CdH CsJ-CsCsCs 300-1500 9.93E+02 2.41 0 0.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1643 Cds-CtH_Cds-CdH CsJ-CdHH 300-1500 1.74E+04 2.41 0 9.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1644 Cds-CtH_Cds-CdH CsJ-CdCsH 300-1500 3.02E+03 2.41 0 9.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1645 Cds-CtH_Cds-CdH CsJ-CdCsCs 300-1500 3.91E+02 2.41 0 8.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1646 Cds-CtH_Cds-CdH CsJ-CdCdH 300-1500 6.10E+03 2.41 0 14.22 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1647 Cds-CtH_Cds-CdH CsJ-CdCdCs 300-1500 2.08E+03 2.41 0 14.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1648 Cds-CtH_Cds-CdH CsJ-CbHH 300-1500 8.05E+03 2.41 0 7.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1649 Cds-CtH_Cds-CdH CsJ-CbCsH 300-1500 1.98E+03 2.41 0 6.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1650 Cds-CtH_Cds-CdH CsJ-CbCsCs 300-1500 3.17E+02 2.41 0 6.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1651 Cds-CtH_Cds-CdH CsJ-CtHH 300-1500 7.44E+03 2.41 0 7.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1652 Cds-CtH_Cds-CdH CsJ-CtCsH 300-1500 1.68E+03 2.41 0 6.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1653 Cds-CtH_Cds-CdH CsJ-CtCsCs 300-1500 4.28E+02 2.41 0 5.96 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1654 Cds-CtH_Cds-CdH CdsJ-H 300-1500 1.13E+04 2.41 0 -0.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1655 Cds-CtH_Cds-CdH CdsJ-Cs 300-1500 5.97E+03 2.41 0 -0.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1656 Cds-CtH_Cds-CdH CbJ 300-1500 1.78E+04 2.41 0 -2.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1657 Cds-CtH_Cds-CdCs CsJ-HHH 300-1500 1.87E+04 2.41 0 2.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1658 Cds-CtH_Cds-CdCs CsJ-CsHH 300-1500 1.90E+03 2.41 0 2.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1659 Cds-CtH_Cds-CdCs CsJ-CsCsH 300-1500 1.52E+03 2.41 0 1.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1660 Cds-CtH_Cds-CdCs CsJ-CsCsCs 300-1500 1.13E+03 2.41 0 -0.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1661 Cds-CtH_Cds-CdCs CsJ-CdHH 300-1500 1.97E+04 2.41 0 9.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1662 Cds-CtH_Cds-CdCs CsJ-CdCsH 300-1500 3.43E+03 2.41 0 9.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1663 Cds-CtH_Cds-CdCs CsJ-CdCsCs 300-1500 4.44E+02 2.41 0 8.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1664 Cds-CtH_Cds-CdCs CsJ-CdCdH 300-1500 6.92E+03 2.41 0 13.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1665 Cds-CtH_Cds-CdCs CsJ-CdCdCs 300-1500 2.36E+03 2.41 0 13.62 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1666 Cds-CtH_Cds-CdCs CsJ-CbHH 300-1500 9.14E+03 2.41 0 6.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1667 Cds-CtH_Cds-CdCs CsJ-CbCsH 300-1500 2.25E+03 2.41 0 6.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1668 Cds-CtH_Cds-CdCs CsJ-CbCsCs 300-1500 3.59E+02 2.41 0 5.70 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1669 Cds-CtH_Cds-CdCs CsJ-CtHH 300-1500 8.44E+03 2.41 0 6.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1670 Cds-CtH_Cds-CdCs CsJ-CtCsH 300-1500 1.90E+03 2.41 0 6.22 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1671 Cds-CtH_Cds-CdCs CsJ-CtCsCs 300-1500 4.86E+02 2.41 0 5.54 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1672 Cds-CtH_Cds-CdCs CdsJ-H 300-1500 1.28E+04 2.41 0 -0.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1673 Cds-CtH_Cds-CdCs CdsJ-Cs 300-1500 6.77E+03 2.41 0 -1.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1674 Cds-CtH_Cds-CdCs CbJ 300-1500 2.02E+04 2.41 0 -3.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1675 Cds-CtH_Cds-CdCd CsJ-HHH 300-1500 5.69E+04 2.41 0 2.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1676 Cds-CtH_Cds-CdCd CsJ-CsHH 300-1500 5.78E+03 2.41 0 1.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1677 Cds-CtH_Cds-CdCd CsJ-CsCsH 300-1500 4.63E+03 2.41 0 0.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1678 Cds-CtH_Cds-CdCd CsJ-CsCsCs 300-1500 3.43E+03 2.41 0 -1.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1679 Cds-CtH_Cds-CdCd CsJ-CdHH 300-1500 6.00E+04 2.41 0 8.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1680 Cds-CtH_Cds-CdCd CsJ-CdCsH 300-1500 1.05E+04 2.41 0 8.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1681 Cds-CtH_Cds-CdCd CsJ-CdCsCs 300-1500 1.35E+03 2.41 0 7.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1682 Cds-CtH_Cds-CdCd CsJ-CdCdH 300-1500 2.11E+04 2.41 0 12.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1683 Cds-CtH_Cds-CdCd CsJ-CdCdCs 300-1500 7.20E+03 2.41 0 12.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1684 Cds-CtH_Cds-CdCd CsJ-CbHH 300-1500 2.78E+04 2.41 0 6.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1685 Cds-CtH_Cds-CdCd CsJ-CbCsH 300-1500 6.85E+03 2.41 0 5.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1686 Cds-CtH_Cds-CdCd CsJ-CbCsCs 300-1500 1.10E+03 2.41 0 4.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1687 Cds-CtH_Cds-CdCd CsJ-CtHH 300-1500 2.57E+04 2.41 0 5.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1688 Cds-CtH_Cds-CdCd CsJ-CtCsH 300-1500 5.80E+03 2.41 0 5.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1689 Cds-CtH_Cds-CdCd CsJ-CtCsCs 300-1500 1.48E+03 2.41 0 4.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1690 Cds-CtH_Cds-CdCd CdsJ-H 300-1500 3.89E+04 2.41 0 -1.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1691 Cds-CtH_Cds-CdCd CdsJ-Cs 300-1500 2.06E+04 2.41 0 -1.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1692 Cds-CtH_Cds-CdCd CbJ 300-1500 6.15E+04 2.41 0 -4.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1693 Cds-CtH_Cds-CbH CsJ-HHH 300-1500 5.37E+03 2.41 0 5.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1694 Cds-CtH_Cds-CbH CsJ-CsHH 300-1500 5.45E+02 2.41 0 4.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1695 Cds-CtH_Cds-CbH CsJ-CsCsH 300-1500 4.37E+02 2.41 0 3.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1696 Cds-CtH_Cds-CbH CsJ-CsCsCs 300-1500 3.24E+02 2.41 0 1.96 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1697 Cds-CtH_Cds-CbH CsJ-CdHH 300-1500 5.67E+03 2.41 0 11.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1698 Cds-CtH_Cds-CbH CsJ-CdCsH 300-1500 9.87E+02 2.41 0 11.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1699 Cds-CtH_Cds-CbH CsJ-CdCsCs 300-1500 1.28E+02 2.41 0 10.22 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1700 Cds-CtH_Cds-CbH CsJ-CdCdH 300-1500 1.99E+03 2.41 0 15.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1701 Cds-CtH_Cds-CbH CsJ-CdCdCs 300-1500 6.79E+02 2.41 0 15.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1702 Cds-CtH_Cds-CbH CsJ-CbHH 300-1500 2.63E+03 2.41 0 9.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1703 Cds-CtH_Cds-CbH CsJ-CbCsH 300-1500 6.46E+02 2.41 0 8.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1704 Cds-CtH_Cds-CbH CsJ-CbCsCs 300-1500 1.03E+02 2.41 0 7.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1705 Cds-CtH_Cds-CbH CsJ-CtHH 300-1500 2.43E+03 2.41 0 8.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1706 Cds-CtH_Cds-CbH CsJ-CtCsH 300-1500 5.48E+02 2.41 0 8.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1707 Cds-CtH_Cds-CbH CsJ-CtCsCs 300-1500 1.40E+02 2.41 0 7.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1708 Cds-CtH_Cds-CbH CdsJ-H 300-1500 3.67E+03 2.41 0 1.31 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1709 Cds-CtH_Cds-CbH CdsJ-Cs 300-1500 1.95E+03 2.41 0 1.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1710 Cds-CtH_Cds-CbH CbJ 300-1500 5.80E+03 2.41 0 -1.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1711 Cds-CtH_Cds-CbCs CsJ-HHH 300-1500 1.14E+04 2.41 0 4.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1712 Cds-CtH_Cds-CbCs CsJ-CsHH 300-1500 1.16E+03 2.41 0 4.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1713 Cds-CtH_Cds-CbCs CsJ-CsCsH 300-1500 9.28E+02 2.41 0 3.22 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1714 Cds-CtH_Cds-CbCs CsJ-CsCsCs 300-1500 6.87E+02 2.41 0 1.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1715 Cds-CtH_Cds-CbCs CsJ-CdHH 300-1500 1.20E+04 2.41 0 11.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1716 Cds-CtH_Cds-CbCs CsJ-CdCsH 300-1500 2.09E+03 2.41 0 11.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1717 Cds-CtH_Cds-CbCs CsJ-CdCsCs 300-1500 2.71E+02 2.41 0 10.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1718 Cds-CtH_Cds-CbCs CsJ-CdCdH 300-1500 4.22E+03 2.41 0 15.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1719 Cds-CtH_Cds-CbCs CsJ-CdCdCs 300-1500 1.44E+03 2.41 0 15.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1720 Cds-CtH_Cds-CbCs CsJ-CbHH 300-1500 5.57E+03 2.41 0 8.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1721 Cds-CtH_Cds-CbCs CsJ-CbCsH 300-1500 1.37E+03 2.41 0 8.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1722 Cds-CtH_Cds-CbCs CsJ-CbCsCs 300-1500 2.19E+02 2.41 0 7.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1723 Cds-CtH_Cds-CbCs CsJ-CtHH 300-1500 5.15E+03 2.41 0 8.70 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1724 Cds-CtH_Cds-CbCs CsJ-CtCsH 300-1500 1.16E+03 2.41 0 8.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1725 Cds-CtH_Cds-CbCs CsJ-CtCsCs 300-1500 2.96E+02 2.41 0 7.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1726 Cds-CtH_Cds-CbCs CdsJ-H 300-1500 7.79E+03 2.41 0 1.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1727 Cds-CtH_Cds-CbCs CdsJ-Cs 300-1500 4.13E+03 2.41 0 0.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1728 Cds-CtH_Cds-CbCs CbJ 300-1500 1.23E+04 2.41 0 -1.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1729 Cds-CtH_Cds-CtH CsJ-HHH 300-1500 2.13E+04 2.41 0 3.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1730 Cds-CtH_Cds-CtH CsJ-CsHH 300-1500 2.17E+03 2.41 0 2.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1731 Cds-CtH_Cds-CtH CsJ-CsCsH 300-1500 1.74E+03 2.41 0 1.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1732 Cds-CtH_Cds-CtH CsJ-CsCsCs 300-1500 1.29E+03 2.41 0 0.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1733 Cds-CtH_Cds-CtH CsJ-CdHH 300-1500 2.25E+04 2.41 0 9.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1734 Cds-CtH_Cds-CtH CsJ-CdCsH 300-1500 3.92E+03 2.41 0 9.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1735 Cds-CtH_Cds-CtH CsJ-CdCsCs 300-1500 5.07E+02 2.41 0 8.31 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1736 Cds-CtH_Cds-CtH CsJ-CdCdH 300-1500 7.90E+03 2.41 0 14.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1737 Cds-CtH_Cds-CtH CsJ-CdCdCs 300-1500 2.70E+03 2.41 0 13.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1738 Cds-CtH_Cds-CtH CsJ-CbHH 300-1500 1.04E+04 2.41 0 7.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1739 Cds-CtH_Cds-CtH CsJ-CbCsH 300-1500 2.57E+03 2.41 0 6.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1740 Cds-CtH_Cds-CtH CsJ-CbCsCs 300-1500 4.11E+02 2.41 0 5.96 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1741 Cds-CtH_Cds-CtH CsJ-CtHH 300-1500 9.64E+03 2.41 0 6.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1742 Cds-CtH_Cds-CtH CsJ-CtCsH 300-1500 2.17E+03 2.41 0 6.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1743 Cds-CtH_Cds-CtH CsJ-CtCsCs 300-1500 5.55E+02 2.41 0 5.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1744 Cds-CtH_Cds-CtH CdsJ-H 300-1500 1.46E+04 2.41 0 -0.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1745 Cds-CtH_Cds-CtH CdsJ-Cs 300-1500 7.73E+03 2.41 0 -0.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1746 Cds-CtH_Cds-CtH CbJ 300-1500 2.30E+04 2.41 0 -2.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1747 Cds-CtH_Cds-CtCs CsJ-HHH 300-1500 2.18E+04 2.41 0 3.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1748 Cds-CtH_Cds-CtCs CsJ-CsHH 300-1500 2.22E+03 2.41 0 2.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1749 Cds-CtH_Cds-CtCs CsJ-CsCsH 300-1500 1.78E+03 2.41 0 1.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1750 Cds-CtH_Cds-CtCs CsJ-CsCsCs 300-1500 1.32E+03 2.41 0 -0.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1751 Cds-CtH_Cds-CtCs CsJ-CdHH 300-1500 2.30E+04 2.41 0 9.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1752 Cds-CtH_Cds-CtCs CsJ-CdCsH 300-1500 4.01E+03 2.41 0 9.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1753 Cds-CtH_Cds-CtCs CsJ-CdCsCs 300-1500 5.19E+02 2.41 0 8.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1754 Cds-CtH_Cds-CtCs CsJ-CdCdH 300-1500 8.09E+03 2.41 0 13.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1755 Cds-CtH_Cds-CtCs CsJ-CdCdCs 300-1500 2.76E+03 2.41 0 13.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1756 Cds-CtH_Cds-CtCs CsJ-CbHH 300-1500 1.07E+04 2.41 0 7.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1757 Cds-CtH_Cds-CtCs CsJ-CbCsH 300-1500 2.63E+03 2.41 0 6.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1758 Cds-CtH_Cds-CtCs CsJ-CbCsCs 300-1500 4.20E+02 2.41 0 5.88 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1759 Cds-CtH_Cds-CtCs CsJ-CtHH 300-1500 9.87E+03 2.41 0 6.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1760 Cds-CtH_Cds-CtCs CsJ-CtCsH 300-1500 2.23E+03 2.41 0 6.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1761 Cds-CtH_Cds-CtCs CsJ-CtCsCs 300-1500 5.68E+02 2.41 0 5.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1762 Cds-CtH_Cds-CtCs CdsJ-H 300-1500 1.49E+04 2.41 0 -0.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1763 Cds-CtH_Cds-CtCs CdsJ-Cs 300-1500 7.92E+03 2.41 0 -0.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1764 Cds-CtH_Cds-CtCs CbJ 300-1500 2.36E+04 2.41 0 -3.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1765 Cds-CtH_Ca CsJ-HHH 300-1500 1.58E+04 2.41 0 7.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1766 Cds-CtH_Ca CsJ-CsHH 300-1500 1.60E+03 2.41 0 6.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1767 Cds-CtH_Ca CsJ-CsCsH 300-1500 1.28E+03 2.41 0 5.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1768 Cds-CtH_Ca CsJ-CsCsCs 300-1500 9.51E+02 2.41 0 3.88 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1769 Cds-CtH_Ca CsJ-CdHH 300-1500 1.66E+04 2.41 0 13.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1770 Cds-CtH_Ca CsJ-CdCsH 300-1500 2.90E+03 2.41 0 13.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1771 Cds-CtH_Ca CsJ-CdCsCs 300-1500 3.74E+02 2.41 0 12.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1772 Cds-CtH_Ca CsJ-CdCdH 300-1500 5.84E+03 2.41 0 17.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1773 Cds-CtH_Ca CsJ-CdCdCs 300-1500 1.99E+03 2.41 0 17.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1774 Cds-CtH_Ca CsJ-CbHH 300-1500 7.71E+03 2.41 0 11.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1775 Cds-CtH_Ca CsJ-CbCsH 300-1500 1.90E+03 2.41 0 10.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1776 Cds-CtH_Ca CsJ-CbCsCs 300-1500 3.03E+02 2.41 0 9.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1777 Cds-CtH_Ca CsJ-CtHH 300-1500 7.12E+03 2.41 0 10.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1778 Cds-CtH_Ca CsJ-CtCsH 300-1500 1.61E+03 2.41 0 10.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1779 Cds-CtH_Ca CsJ-CtCsCs 300-1500 4.10E+02 2.41 0 9.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1780 Cds-CtH_Ca CdsJ-H 300-1500 1.08E+04 2.41 0 3.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1781 Cds-CtH_Ca CdsJ-Cs 300-1500 5.71E+03 2.41 0 3.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1782 Cds-CtH_Ca CbJ 300-1500 1.70E+04 2.41 0 0.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1783 Cds-CtCs_Cds-HH CsJ-HHH 300-1500 7.01E+03 2.41 0 7.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1784 Cds-CtCs_Cds-HH CsJ-CsHH 300-1500 7.12E+02 2.41 0 7.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1785 Cds-CtCs_Cds-HH CsJ-CsCsH 300-1500 5.71E+02 2.41 0 6.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1786 Cds-CtCs_Cds-HH CsJ-CsCsCs 300-1500 4.23E+02 2.41 0 4.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1787 Cds-CtCs_Cds-HH CsJ-CdHH 300-1500 7.39E+03 2.41 0 14.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1788 Cds-CtCs_Cds-HH CsJ-CdCsH 300-1500 1.29E+03 2.41 0 13.96 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1789 Cds-CtCs_Cds-HH CsJ-CdCsCs 300-1500 1.67E+02 2.41 0 12.99 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1790 Cds-CtCs_Cds-HH CsJ-CdCdH 300-1500 2.60E+03 2.41 0 18.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1791 Cds-CtCs_Cds-HH CsJ-CdCdCs 300-1500 8.87E+02 2.41 0 18.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1792 Cds-CtCs_Cds-HH CsJ-CbHH 300-1500 3.43E+03 2.41 0 11.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1793 Cds-CtCs_Cds-HH CsJ-CbCsH 300-1500 8.43E+02 2.41 0 11.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1794 Cds-CtCs_Cds-HH CsJ-CbCsCs 300-1500 1.35E+02 2.41 0 10.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1795 Cds-CtCs_Cds-HH CsJ-CtHH 300-1500 3.17E+03 2.41 0 11.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1796 Cds-CtCs_Cds-HH CsJ-CtCsH 300-1500 7.15E+02 2.41 0 11.16 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1797 Cds-CtCs_Cds-HH CsJ-CtCsCs 300-1500 1.82E+02 2.41 0 10.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1798 Cds-CtCs_Cds-HH CdsJ-H 300-1500 4.79E+03 2.41 0 4.08 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1799 Cds-CtCs_Cds-HH CdsJ-Cs 300-1500 2.54E+03 2.41 0 3.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1800 Cds-CtCs_Cds-HH CbJ 300-1500 7.57E+03 2.41 0 1.70 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1801 Cds-CtCs_Cds-CsH CsJ-HHH 300-1500 7.04E+03 2.41 0 7.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1802 Cds-CtCs_Cds-CsH CsJ-CsHH 300-1500 7.15E+02 2.41 0 7.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1803 Cds-CtCs_Cds-CsH CsJ-CsCsH 300-1500 5.73E+02 2.41 0 5.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1804 Cds-CtCs_Cds-CsH CsJ-CsCsCs 300-1500 4.25E+02 2.41 0 4.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1805 Cds-CtCs_Cds-CsH CsJ-CdHH 300-1500 7.43E+03 2.41 0 13.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1806 Cds-CtCs_Cds-CsH CsJ-CdCsH 300-1500 1.29E+03 2.41 0 13.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1807 Cds-CtCs_Cds-CsH CsJ-CdCsCs 300-1500 1.67E+02 2.41 0 12.67 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1808 Cds-CtCs_Cds-CsH CsJ-CdCdH 300-1500 2.61E+03 2.41 0 18.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1809 Cds-CtCs_Cds-CsH CsJ-CdCdCs 300-1500 8.90E+02 2.41 0 18.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1810 Cds-CtCs_Cds-CsH CsJ-CbHH 300-1500 3.44E+03 2.41 0 11.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1811 Cds-CtCs_Cds-CsH CsJ-CbCsH 300-1500 8.47E+02 2.41 0 10.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1812 Cds-CtCs_Cds-CsH CsJ-CbCsCs 300-1500 1.35E+02 2.41 0 10.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1813 Cds-CtCs_Cds-CsH CsJ-CtHH 300-1500 3.18E+03 2.41 0 11.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1814 Cds-CtCs_Cds-CsH CsJ-CtCsH 300-1500 7.18E+02 2.41 0 10.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1815 Cds-CtCs_Cds-CsH CsJ-CtCsCs 300-1500 1.83E+02 2.41 0 10.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1816 Cds-CtCs_Cds-CsH CdsJ-H 300-1500 4.81E+03 2.41 0 3.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1817 Cds-CtCs_Cds-CsH CdsJ-Cs 300-1500 2.55E+03 2.41 0 3.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1818 Cds-CtCs_Cds-CsH CbJ 300-1500 7.60E+03 2.41 0 1.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1819 Cds-CtCs_Cds-CsCs CsJ-HHH 300-1500 8.85E+03 2.41 0 7.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1820 Cds-CtCs_Cds-CsCs CsJ-CsHH 300-1500 8.99E+02 2.41 0 6.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1821 Cds-CtCs_Cds-CsCs CsJ-CsCsH 300-1500 7.21E+02 2.41 0 5.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1822 Cds-CtCs_Cds-CsCs CsJ-CsCsCs 300-1500 5.34E+02 2.41 0 4.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1823 Cds-CtCs_Cds-CsCs CsJ-CdHH 300-1500 9.34E+03 2.41 0 13.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1824 Cds-CtCs_Cds-CsCs CsJ-CdCsH 300-1500 1.63E+03 2.41 0 13.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1825 Cds-CtCs_Cds-CsCs CsJ-CdCsCs 300-1500 2.10E+02 2.41 0 12.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1826 Cds-CtCs_Cds-CsCs CsJ-CdCdH 300-1500 3.28E+03 2.41 0 18.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1827 Cds-CtCs_Cds-CsCs CsJ-CdCdCs 300-1500 1.12E+03 2.41 0 17.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1828 Cds-CtCs_Cds-CsCs CsJ-CbHH 300-1500 4.33E+03 2.41 0 11.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1829 Cds-CtCs_Cds-CsCs CsJ-CbCsH 300-1500 1.07E+03 2.41 0 10.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1830 Cds-CtCs_Cds-CsCs CsJ-CbCsCs 300-1500 1.70E+02 2.41 0 9.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1831 Cds-CtCs_Cds-CsCs CsJ-CtHH 300-1500 4.00E+03 2.41 0 10.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1832 Cds-CtCs_Cds-CsCs CsJ-CtCsH 300-1500 9.03E+02 2.41 0 10.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1833 Cds-CtCs_Cds-CsCs CsJ-CtCsCs 300-1500 2.30E+02 2.41 0 9.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1834 Cds-CtCs_Cds-CsCs CdsJ-H 300-1500 6.06E+03 2.41 0 3.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1835 Cds-CtCs_Cds-CsCs CdsJ-Cs 300-1500 3.21E+03 2.41 0 3.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1836 Cds-CtCs_Cds-CsCs CbJ 300-1500 9.57E+03 2.41 0 1.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1837 Cds-CtCs_Cds-CdH CsJ-HHH 300-1500 7.90E+03 2.41 0 4.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1838 Cds-CtCs_Cds-CdH CsJ-CsHH 300-1500 8.03E+02 2.41 0 4.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1839 Cds-CtCs_Cds-CdH CsJ-CsCsH 300-1500 6.44E+02 2.41 0 3.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1840 Cds-CtCs_Cds-CdH CsJ-CsCsCs 300-1500 4.77E+02 2.41 0 1.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1841 Cds-CtCs_Cds-CdH CsJ-CdHH 300-1500 8.34E+03 2.41 0 11.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1842 Cds-CtCs_Cds-CdH CsJ-CdCsH 300-1500 1.45E+03 2.41 0 10.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1843 Cds-CtCs_Cds-CdH CsJ-CdCsCs 300-1500 1.88E+02 2.41 0 9.88 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1844 Cds-CtCs_Cds-CdH CsJ-CdCdH 300-1500 2.93E+03 2.41 0 15.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1845 Cds-CtCs_Cds-CdH CsJ-CdCdCs 300-1500 1.00E+03 2.41 0 15.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1846 Cds-CtCs_Cds-CdH CsJ-CbHH 300-1500 3.87E+03 2.41 0 8.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1847 Cds-CtCs_Cds-CdH CsJ-CbCsH 300-1500 9.51E+02 2.41 0 8.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1848 Cds-CtCs_Cds-CdH CsJ-CbCsCs 300-1500 1.52E+02 2.41 0 7.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1849 Cds-CtCs_Cds-CdH CsJ-CtHH 300-1500 3.57E+03 2.41 0 8.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1850 Cds-CtCs_Cds-CdH CsJ-CtCsH 300-1500 8.06E+02 2.41 0 8.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1851 Cds-CtCs_Cds-CdH CsJ-CtCsCs 300-1500 2.06E+02 2.41 0 7.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1852 Cds-CtCs_Cds-CdH CdsJ-H 300-1500 5.41E+03 2.41 0 0.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1853 Cds-CtCs_Cds-CdH CdsJ-Cs 300-1500 2.87E+03 2.41 0 0.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1854 Cds-CtCs_Cds-CdH CbJ 300-1500 8.54E+03 2.41 0 -1.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1855 Cds-CtCs_Cds-CdCs CsJ-HHH 300-1500 8.97E+03 2.41 0 4.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1856 Cds-CtCs_Cds-CdCs CsJ-CsHH 300-1500 9.11E+02 2.41 0 3.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1857 Cds-CtCs_Cds-CdCs CsJ-CsCsH 300-1500 7.31E+02 2.41 0 2.62 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1858 Cds-CtCs_Cds-CdCs CsJ-CsCsCs 300-1500 5.41E+02 2.41 0 1.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1859 Cds-CtCs_Cds-CdCs CsJ-CdHH 300-1500 9.46E+03 2.41 0 10.67 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1860 Cds-CtCs_Cds-CdCs CsJ-CdCsH 300-1500 1.65E+03 2.41 0 10.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1861 Cds-CtCs_Cds-CdCs CsJ-CdCsCs 300-1500 2.13E+02 2.41 0 9.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1862 Cds-CtCs_Cds-CdCs CsJ-CdCdH 300-1500 3.32E+03 2.41 0 15.22 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1863 Cds-CtCs_Cds-CdCs CsJ-CdCdCs 300-1500 1.13E+03 2.41 0 15.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1864 Cds-CtCs_Cds-CdCs CsJ-CbHH 300-1500 4.39E+03 2.41 0 8.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1865 Cds-CtCs_Cds-CdCs CsJ-CbCsH 300-1500 1.08E+03 2.41 0 7.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1866 Cds-CtCs_Cds-CdCs CsJ-CbCsCs 300-1500 1.73E+02 2.41 0 7.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1867 Cds-CtCs_Cds-CdCs CsJ-CtHH 300-1500 4.06E+03 2.41 0 8.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1868 Cds-CtCs_Cds-CdCs CsJ-CtCsH 300-1500 9.15E+02 2.41 0 7.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1869 Cds-CtCs_Cds-CdCs CsJ-CtCsCs 300-1500 2.33E+02 2.41 0 6.96 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1870 Cds-CtCs_Cds-CdCs CdsJ-H 300-1500 6.13E+03 2.41 0 0.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1871 Cds-CtCs_Cds-CdCs CdsJ-Cs 300-1500 3.25E+03 2.41 0 0.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1872 Cds-CtCs_Cds-CdCs CbJ 300-1500 9.69E+03 2.41 0 -1.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1873 Cds-CtCs_Cds-CdCd CsJ-HHH 300-1500 2.73E+04 2.41 0 3.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1874 Cds-CtCs_Cds-CdCd CsJ-CsHH 300-1500 2.78E+03 2.41 0 2.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1875 Cds-CtCs_Cds-CdCd CsJ-CsCsH 300-1500 2.23E+03 2.41 0 1.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1876 Cds-CtCs_Cds-CdCd CsJ-CsCsCs 300-1500 1.65E+03 2.41 0 0.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1877 Cds-CtCs_Cds-CdCd CsJ-CdHH 300-1500 2.88E+04 2.41 0 9.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1878 Cds-CtCs_Cds-CdCd CsJ-CdCsH 300-1500 5.02E+03 2.41 0 9.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1879 Cds-CtCs_Cds-CdCd CsJ-CdCsCs 300-1500 6.50E+02 2.41 0 8.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1880 Cds-CtCs_Cds-CdCd CsJ-CdCdH 300-1500 1.01E+04 2.41 0 14.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1881 Cds-CtCs_Cds-CdCd CsJ-CdCdCs 300-1500 3.46E+03 2.41 0 14.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1882 Cds-CtCs_Cds-CdCd CsJ-CbHH 300-1500 1.34E+04 2.41 0 7.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1883 Cds-CtCs_Cds-CdCd CsJ-CbCsH 300-1500 3.29E+03 2.41 0 6.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1884 Cds-CtCs_Cds-CdCd CsJ-CbCsCs 300-1500 5.26E+02 2.41 0 6.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1885 Cds-CtCs_Cds-CdCd CsJ-CtHH 300-1500 1.24E+04 2.41 0 7.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1886 Cds-CtCs_Cds-CdCd CsJ-CtCsH 300-1500 2.79E+03 2.41 0 6.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1887 Cds-CtCs_Cds-CdCd CsJ-CtCsCs 300-1500 7.11E+02 2.41 0 6.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1888 Cds-CtCs_Cds-CdCd CdsJ-H 300-1500 1.87E+04 2.41 0 -0.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1889 Cds-CtCs_Cds-CdCd CdsJ-Cs 300-1500 9.91E+03 2.41 0 -0.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1890 Cds-CtCs_Cds-CdCd CbJ 300-1500 2.95E+04 2.41 0 -2.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1891 Cds-CtCs_Cds-CbH CsJ-HHH 300-1500 2.58E+03 2.41 0 6.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1892 Cds-CtCs_Cds-CbH CsJ-CsHH 300-1500 2.62E+02 2.41 0 5.99 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1893 Cds-CtCs_Cds-CbH CsJ-CsCsH 300-1500 2.10E+02 2.41 0 4.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1894 Cds-CtCs_Cds-CbH CsJ-CsCsCs 300-1500 1.56E+02 2.41 0 3.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1895 Cds-CtCs_Cds-CbH CsJ-CdHH 300-1500 2.72E+03 2.41 0 12.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1896 Cds-CtCs_Cds-CbH CsJ-CdCsH 300-1500 4.74E+02 2.41 0 12.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1897 Cds-CtCs_Cds-CbH CsJ-CdCsCs 300-1500 6.13E+01 2.41 0 11.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1898 Cds-CtCs_Cds-CbH CsJ-CdCdH 300-1500 9.56E+02 2.41 0 17.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1899 Cds-CtCs_Cds-CbH CsJ-CdCdCs 300-1500 3.26E+02 2.41 0 17.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1900 Cds-CtCs_Cds-CbH CsJ-CbHH 300-1500 1.26E+03 2.41 0 10.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1901 Cds-CtCs_Cds-CbH CsJ-CbCsH 300-1500 3.10E+02 2.41 0 9.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1902 Cds-CtCs_Cds-CbH CsJ-CbCsCs 300-1500 4.97E+01 2.41 0 9.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1903 Cds-CtCs_Cds-CbH CsJ-CtHH 300-1500 1.17E+03 2.41 0 10.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1904 Cds-CtCs_Cds-CbH CsJ-CtCsH 300-1500 2.63E+02 2.41 0 9.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1905 Cds-CtCs_Cds-CbH CsJ-CtCsCs 300-1500 6.71E+01 2.41 0 9.13 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1906 Cds-CtCs_Cds-CbH CdsJ-H 300-1500 1.76E+03 2.41 0 2.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1907 Cds-CtCs_Cds-CbH CdsJ-Cs 300-1500 9.36E+02 2.41 0 2.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1908 Cds-CtCs_Cds-CbH CbJ 300-1500 2.79E+03 2.41 0 0.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1909 Cds-CtCs_Cds-CbCs CsJ-HHH 300-1500 5.47E+03 2.41 0 6.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1910 Cds-CtCs_Cds-CbCs CsJ-CsHH 300-1500 5.56E+02 2.41 0 5.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1911 Cds-CtCs_Cds-CbCs CsJ-CsCsH 300-1500 4.46E+02 2.41 0 4.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1912 Cds-CtCs_Cds-CbCs CsJ-CsCsCs 300-1500 3.30E+02 2.41 0 3.22 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1913 Cds-CtCs_Cds-CbCs CsJ-CdHH 300-1500 5.77E+03 2.41 0 12.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1914 Cds-CtCs_Cds-CbCs CsJ-CdCsH 300-1500 1.01E+03 2.41 0 12.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1915 Cds-CtCs_Cds-CbCs CsJ-CdCsCs 300-1500 1.30E+02 2.41 0 11.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1916 Cds-CtCs_Cds-CbCs CsJ-CdCdH 300-1500 2.03E+03 2.41 0 17.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1917 Cds-CtCs_Cds-CbCs CsJ-CdCdCs 300-1500 6.92E+02 2.41 0 17.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1918 Cds-CtCs_Cds-CbCs CsJ-CbHH 300-1500 2.68E+03 2.41 0 10.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1919 Cds-CtCs_Cds-CbCs CsJ-CbCsH 300-1500 6.58E+02 2.41 0 9.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1920 Cds-CtCs_Cds-CbCs CsJ-CbCsCs 300-1500 1.05E+02 2.41 0 9.13 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1921 Cds-CtCs_Cds-CbCs CsJ-CtHH 300-1500 2.47E+03 2.41 0 10.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1922 Cds-CtCs_Cds-CbCs CsJ-CtCsH 300-1500 5.58E+02 2.41 0 9.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1923 Cds-CtCs_Cds-CbCs CsJ-CtCsCs 300-1500 1.42E+02 2.41 0 8.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1924 Cds-CtCs_Cds-CbCs CdsJ-H 300-1500 3.74E+03 2.41 0 2.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1925 Cds-CtCs_Cds-CbCs CdsJ-Cs 300-1500 1.98E+03 2.41 0 2.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1926 Cds-CtCs_Cds-CbCs CbJ 300-1500 5.91E+03 2.41 0 0.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1927 Cds-CtCs_Cds-CtH CsJ-HHH 300-1500 1.02E+04 2.41 0 4.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1928 Cds-CtCs_Cds-CtH CsJ-CsHH 300-1500 1.04E+03 2.41 0 4.08 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1929 Cds-CtCs_Cds-CtH CsJ-CsCsH 300-1500 8.34E+02 2.41 0 2.88 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1930 Cds-CtCs_Cds-CtH CsJ-CsCsCs 300-1500 6.18E+02 2.41 0 1.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1931 Cds-CtCs_Cds-CtH CsJ-CdHH 300-1500 1.08E+04 2.41 0 10.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1932 Cds-CtCs_Cds-CtH CsJ-CdCsH 300-1500 1.88E+03 2.41 0 10.70 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1933 Cds-CtCs_Cds-CtH CsJ-CdCsCs 300-1500 2.43E+02 2.41 0 9.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1934 Cds-CtCs_Cds-CtH CsJ-CdCdH 300-1500 3.80E+03 2.41 0 15.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1935 Cds-CtCs_Cds-CtH CsJ-CdCdCs 300-1500 1.30E+03 2.41 0 15.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1936 Cds-CtCs_Cds-CtH CsJ-CbHH 300-1500 5.01E+03 2.41 0 8.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1937 Cds-CtCs_Cds-CtH CsJ-CbCsH 300-1500 1.23E+03 2.41 0 7.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1938 Cds-CtCs_Cds-CtH CsJ-CbCsCs 300-1500 1.97E+02 2.41 0 7.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1939 Cds-CtCs_Cds-CtH CsJ-CtHH 300-1500 4.63E+03 2.41 0 8.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1940 Cds-CtCs_Cds-CtH CsJ-CtCsH 300-1500 1.04E+03 2.41 0 7.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1941 Cds-CtCs_Cds-CtH CsJ-CtCsCs 300-1500 2.66E+02 2.41 0 7.22 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1942 Cds-CtCs_Cds-CtH CdsJ-H 300-1500 7.01E+03 2.41 0 0.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1943 Cds-CtCs_Cds-CtH CdsJ-Cs 300-1500 3.72E+03 2.41 0 0.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1944 Cds-CtCs_Cds-CtH CbJ 300-1500 1.11E+04 2.41 0 -1.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1945 Cds-CtCs_Cds-CtCs CsJ-HHH 300-1500 1.05E+04 2.41 0 4.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1946 Cds-CtCs_Cds-CtCs CsJ-CsHH 300-1500 1.06E+03 2.41 0 3.99 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1947 Cds-CtCs_Cds-CtCs CsJ-CsCsH 300-1500 8.54E+02 2.41 0 2.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1948 Cds-CtCs_Cds-CtCs CsJ-CsCsCs 300-1500 6.33E+02 2.41 0 1.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1949 Cds-CtCs_Cds-CtCs CsJ-CdHH 300-1500 1.11E+04 2.41 0 10.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1950 Cds-CtCs_Cds-CtCs CsJ-CdCsH 300-1500 1.93E+03 2.41 0 10.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1951 Cds-CtCs_Cds-CtCs CsJ-CdCsCs 300-1500 2.49E+02 2.41 0 9.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1952 Cds-CtCs_Cds-CtCs CsJ-CdCdH 300-1500 3.89E+03 2.41 0 15.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1953 Cds-CtCs_Cds-CtCs CsJ-CdCdCs 300-1500 1.33E+03 2.41 0 15.22 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1954 Cds-CtCs_Cds-CtCs CsJ-CbHH 300-1500 5.13E+03 2.41 0 8.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1955 Cds-CtCs_Cds-CtCs CsJ-CbCsH 300-1500 1.26E+03 2.41 0 7.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1956 Cds-CtCs_Cds-CtCs CsJ-CbCsCs 300-1500 2.02E+02 2.41 0 7.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1957 Cds-CtCs_Cds-CtCs CsJ-CtHH 300-1500 4.74E+03 2.41 0 8.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1958 Cds-CtCs_Cds-CtCs CsJ-CtCsH 300-1500 1.07E+03 2.41 0 7.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1959 Cds-CtCs_Cds-CtCs CsJ-CtCsCs 300-1500 2.73E+02 2.41 0 7.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1960 Cds-CtCs_Cds-CtCs CdsJ-H 300-1500 7.17E+03 2.41 0 0.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1961 Cds-CtCs_Cds-CtCs CdsJ-Cs 300-1500 3.80E+03 2.41 0 0.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1962 Cds-CtCs_Cds-CtCs CbJ 300-1500 1.13E+04 2.41 0 -1.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1963 Cds-CtCs_Ca CsJ-HHH 300-1500 7.57E+03 2.41 0 8.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1964 Cds-CtCs_Ca CsJ-CsHH 300-1500 7.69E+02 2.41 0 7.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1965 Cds-CtCs_Ca CsJ-CsCsH 300-1500 6.16E+02 2.41 0 6.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1966 Cds-CtCs_Ca CsJ-CsCsCs 300-1500 4.57E+02 2.41 0 5.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1967 Cds-CtCs_Ca CsJ-CdHH 300-1500 7.98E+03 2.41 0 14.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1968 Cds-CtCs_Ca CsJ-CdCsH 300-1500 1.39E+03 2.41 0 14.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1969 Cds-CtCs_Ca CsJ-CdCsCs 300-1500 1.80E+02 2.41 0 13.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1970 Cds-CtCs_Ca CsJ-CdCdH 300-1500 2.80E+03 2.41 0 19.31 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1971 Cds-CtCs_Ca CsJ-CdCdCs 300-1500 9.57E+02 2.41 0 19.13 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1972 Cds-CtCs_Ca CsJ-CbHH 300-1500 3.70E+03 2.41 0 12.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1973 Cds-CtCs_Ca CsJ-CbCsH 300-1500 9.11E+02 2.41 0 11.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1974 Cds-CtCs_Ca CsJ-CbCsCs 300-1500 1.46E+02 2.41 0 11.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1975 Cds-CtCs_Ca CsJ-CtHH 300-1500 3.42E+03 2.41 0 12.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1976 Cds-CtCs_Ca CsJ-CtCsH 300-1500 7.72E+02 2.41 0 11.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1977 Cds-CtCs_Ca CsJ-CtCsCs 300-1500 1.97E+02 2.41 0 11.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1978 Cds-CtCs_Ca CdsJ-H 300-1500 5.18E+03 2.41 0 4.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1979 Cds-CtCs_Ca CdsJ-Cs 300-1500 2.74E+03 2.41 0 4.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1980 Cds-CtCs_Ca CbJ 300-1500 8.18E+03 2.41 0 2.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 - -1981 Ca_Cds-HH CsJ-HHH 300-1500 3.90E+04 2.41 0 7.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1982 Ca_Cds-HH CsJ-CsHH 300-1500 3.96E+03 2.41 0 7.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1983 Ca_Cds-HH CsJ-CsCsH 300-1500 3.18E+03 2.41 0 6.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1984 Ca_Cds-HH CsJ-CsCsCs 300-1500 2.35E+03 2.41 0 4.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1985 Ca_Cds-HH CsJ-CdHH 300-1500 4.12E+04 2.41 0 14.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1986 Ca_Cds-HH CsJ-CdCsH 300-1500 7.17E+03 2.41 0 13.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1987 Ca_Cds-HH CsJ-CdCsCs 300-1500 9.27E+02 2.41 0 12.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1988 Ca_Cds-HH CsJ-CdCdH 300-1500 1.45E+04 2.41 0 18.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1989 Ca_Cds-HH CsJ-CdCdCs 300-1500 4.94E+03 2.41 0 18.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1990 Ca_Cds-HH CsJ-CbHH 300-1500 1.91E+04 2.41 0 11.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1991 Ca_Cds-HH CsJ-CbCsH 300-1500 4.69E+03 2.41 0 11.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1992 Ca_Cds-HH CsJ-CbCsCs 300-1500 7.51E+02 2.41 0 10.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1993 Ca_Cds-HH CsJ-CtHH 300-1500 1.76E+04 2.41 0 11.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1994 Ca_Cds-HH CsJ-CtCsH 300-1500 3.98E+03 2.41 0 11.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1995 Ca_Cds-HH CsJ-CtCsCs 300-1500 1.01E+03 2.41 0 10.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1996 Ca_Cds-HH CdsJ-H 300-1500 2.67E+04 2.41 0 3.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1997 Ca_Cds-HH CdsJ-Cs 300-1500 1.42E+04 2.41 0 3.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1998 Ca_Cds-HH CbJ 300-1500 4.22E+04 2.41 0 1.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -1999 Ca_Cds-CsH CsJ-HHH 300-1500 4.47E+04 2.41 0 6.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2000 Ca_Cds-CsH CsJ-CsHH 300-1500 4.54E+03 2.41 0 6.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2001 Ca_Cds-CsH CsJ-CsCsH 300-1500 3.64E+03 2.41 0 4.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2002 Ca_Cds-CsH CsJ-CsCsCs 300-1500 2.70E+03 2.41 0 3.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2003 Ca_Cds-CsH CsJ-CdHH 300-1500 4.72E+04 2.41 0 13.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2004 Ca_Cds-CsH CsJ-CdCsH 300-1500 8.22E+03 2.41 0 12.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2005 Ca_Cds-CsH CsJ-CdCsCs 300-1500 1.06E+03 2.41 0 11.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2006 Ca_Cds-CsH CsJ-CdCdH 300-1500 1.66E+04 2.41 0 17.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2007 Ca_Cds-CsH CsJ-CdCdCs 300-1500 5.66E+03 2.41 0 17.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2008 Ca_Cds-CsH CsJ-CbHH 300-1500 2.19E+04 2.41 0 10.70 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2009 Ca_Cds-CsH CsJ-CbCsH 300-1500 5.38E+03 2.41 0 10.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2010 Ca_Cds-CsH CsJ-CbCsCs 300-1500 8.61E+02 2.41 0 9.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2011 Ca_Cds-CsH CsJ-CtHH 300-1500 2.02E+04 2.41 0 10.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2012 Ca_Cds-CsH CsJ-CtCsH 300-1500 4.56E+03 2.41 0 9.99 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2013 Ca_Cds-CsH CsJ-CtCsCs 300-1500 1.16E+03 2.41 0 9.31 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2014 Ca_Cds-CsH CdsJ-H 300-1500 3.06E+04 2.41 0 2.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2015 Ca_Cds-CsH CdsJ-Cs 300-1500 1.62E+04 2.41 0 2.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2016 Ca_Cds-CsH CbJ 300-1500 4.83E+04 2.41 0 0.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2017 Ca_Cds-CsCs CsJ-HHH 300-1500 5.73E+04 2.41 0 5.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2018 Ca_Cds-CsCs CsJ-CsHH 300-1500 5.82E+03 2.41 0 5.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2019 Ca_Cds-CsCs CsJ-CsCsH 300-1500 4.67E+03 2.41 0 4.08 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2020 Ca_Cds-CsCs CsJ-CsCsCs 300-1500 3.46E+03 2.41 0 2.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2021 Ca_Cds-CsCs CsJ-CdHH 300-1500 6.05E+04 2.41 0 12.13 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2022 Ca_Cds-CsCs CsJ-CdCsH 300-1500 1.05E+04 2.41 0 11.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2023 Ca_Cds-CsCs CsJ-CdCsCs 300-1500 1.36E+03 2.41 0 10.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2024 Ca_Cds-CsCs CsJ-CdCdH 300-1500 2.12E+04 2.41 0 16.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2025 Ca_Cds-CsCs CsJ-CdCdCs 300-1500 7.25E+03 2.41 0 16.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2026 Ca_Cds-CsCs CsJ-CbHH 300-1500 2.80E+04 2.41 0 9.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2027 Ca_Cds-CsCs CsJ-CbCsH 300-1500 6.89E+03 2.41 0 9.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2028 Ca_Cds-CsCs CsJ-CbCsCs 300-1500 1.10E+03 2.41 0 8.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2029 Ca_Cds-CsCs CsJ-CtHH 300-1500 2.59E+04 2.41 0 9.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2030 Ca_Cds-CsCs CsJ-CtCsH 300-1500 5.84E+03 2.41 0 9.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2031 Ca_Cds-CsCs CsJ-CtCsCs 300-1500 1.49E+03 2.41 0 8.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2032 Ca_Cds-CsCs CdsJ-H 300-1500 3.92E+04 2.41 0 2.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2033 Ca_Cds-CsCs CdsJ-Cs 300-1500 2.08E+04 2.41 0 1.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2034 Ca_Cds-CsCs CbJ 300-1500 6.19E+04 2.41 0 -0.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 - -2035 Ct-H_Ct-H CsJ-HHH 300-1500 6.69E+04 2.41 0 6.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2036 Ct-H_Ct-H CsJ-CsHH 300-1500 6.80E+03 2.41 0 6.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2037 Ct-H_Ct-H CsJ-CsCsH 300-1500 5.45E+03 2.41 0 5.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2038 Ct-H_Ct-H CsJ-CsCsCs 300-1500 4.04E+03 2.41 0 3.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2039 Ct-H_Ct-H CsJ-CdHH 300-1500 7.06E+04 2.41 0 13.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2040 Ct-H_Ct-H CsJ-CdCsH 300-1500 1.23E+04 2.41 0 12.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2041 Ct-H_Ct-H CsJ-CdCsCs 300-1500 1.59E+03 2.41 0 11.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2042 Ct-H_Ct-H CsJ-CdCdH 300-1500 2.48E+04 2.41 0 17.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2043 Ct-H_Ct-H CsJ-CdCdCs 300-1500 8.47E+03 2.41 0 17.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2044 Ct-H_Ct-H CsJ-CbHH 300-1500 3.28E+04 2.41 0 10.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2045 Ct-H_Ct-H CsJ-CbCsH 300-1500 8.06E+03 2.41 0 10.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2046 Ct-H_Ct-H CsJ-CbCsCs 300-1500 1.29E+03 2.41 0 9.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2047 Ct-H_Ct-H CsJ-CtHH 300-1500 3.03E+04 2.41 0 10.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2048 Ct-H_Ct-H CsJ-CtCsH 300-1500 6.83E+03 2.41 0 10.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2049 Ct-H_Ct-H CsJ-CtCsCs 300-1500 1.74E+03 2.41 0 9.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2050 Ct-H_Ct-H CdsJ-H 300-1500 4.58E+04 2.41 0 2.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2051 Ct-H_Ct-H CdsJ-Cs 300-1500 2.43E+04 2.41 0 2.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2052 Ct-H_Ct-H CbJ 300-1500 7.23E+04 2.41 0 0.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2053 Ct-H_Ct-Cs CsJ-HHH 300-1500 1.78E+05 2.41 0 7.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2054 Ct-H_Ct-Cs CsJ-CsHH 300-1500 1.81E+04 2.41 0 6.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2055 Ct-H_Ct-Cs CsJ-CsCsH 300-1500 1.45E+04 2.41 0 5.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2056 Ct-H_Ct-Cs CsJ-CsCsCs 300-1500 1.07E+04 2.41 0 4.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2057 Ct-H_Ct-Cs CsJ-CdHH 300-1500 1.88E+05 2.41 0 13.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2058 Ct-H_Ct-Cs CsJ-CdCsH 300-1500 3.27E+04 2.41 0 13.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2059 Ct-H_Ct-Cs CsJ-CdCsCs 300-1500 4.22E+03 2.41 0 12.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2060 Ct-H_Ct-Cs CsJ-CdCdH 300-1500 6.59E+04 2.41 0 18.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2061 Ct-H_Ct-Cs CsJ-CdCdCs 300-1500 2.25E+04 2.41 0 17.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2062 Ct-H_Ct-Cs CsJ-CbHH 300-1500 8.70E+04 2.41 0 11.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2063 Ct-H_Ct-Cs CsJ-CbCsH 300-1500 2.14E+04 2.41 0 10.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2064 Ct-H_Ct-Cs CsJ-CbCsCs 300-1500 3.42E+03 2.41 0 9.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2065 Ct-H_Ct-Cs CsJ-CtHH 300-1500 8.04E+04 2.41 0 10.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2066 Ct-H_Ct-Cs CsJ-CtCsH 300-1500 1.81E+04 2.41 0 10.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2067 Ct-H_Ct-Cs CsJ-CtCsCs 300-1500 4.62E+03 2.41 0 9.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2068 Ct-H_Ct-Cs CdsJ-H 300-1500 1.22E+05 2.41 0 3.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2069 Ct-H_Ct-Cs CdsJ-Cs 300-1500 6.45E+04 2.41 0 3.16 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2070 Ct-H_Ct-Cs CbJ 300-1500 1.92E+05 2.41 0 0.99 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2071 Ct-H_Ct-Cd CsJ-HHH 300-1500 2.17E+04 2.41 0 3.96 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2072 Ct-H_Ct-Cd CsJ-CsHH 300-1500 2.21E+03 2.41 0 3.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2073 Ct-H_Ct-Cd CsJ-CsCsH 300-1500 1.77E+03 2.41 0 2.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2074 Ct-H_Ct-Cd CsJ-CsCsCs 300-1500 1.31E+03 2.41 0 0.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2075 Ct-H_Ct-Cd CsJ-CdHH 300-1500 2.29E+04 2.41 0 10.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2076 Ct-H_Ct-Cd CsJ-CdCsH 300-1500 4.00E+03 2.41 0 10.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2077 Ct-H_Ct-Cd CsJ-CdCsCs 300-1500 5.17E+02 2.41 0 9.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2078 Ct-H_Ct-Cd CsJ-CdCdH 300-1500 8.06E+03 2.41 0 14.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2079 Ct-H_Ct-Cd CsJ-CdCdCs 300-1500 2.75E+03 2.41 0 14.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2080 Ct-H_Ct-Cd CsJ-CbHH 300-1500 1.06E+04 2.41 0 7.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2081 Ct-H_Ct-Cd CsJ-CbCsH 300-1500 2.62E+03 2.41 0 7.22 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2082 Ct-H_Ct-Cd CsJ-CbCsCs 300-1500 4.19E+02 2.41 0 6.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2083 Ct-H_Ct-Cd CsJ-CtHH 300-1500 9.83E+03 2.41 0 7.67 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2084 Ct-H_Ct-Cd CsJ-CtCsH 300-1500 2.22E+03 2.41 0 7.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2085 Ct-H_Ct-Cd CsJ-CtCsCs 300-1500 5.66E+02 2.41 0 6.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2086 Ct-H_Ct-Cd CdsJ-H 300-1500 1.49E+04 2.41 0 0.13 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2087 Ct-H_Ct-Cd CdsJ-Cs 300-1500 7.89E+03 2.41 0 -0.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2088 Ct-H_Ct-Cd CbJ 300-1500 2.35E+04 2.41 0 -2.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2089 Ct-H_Ct-Ct CsJ-HHH 300-1500 2.89E+05 2.41 0 3.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2090 Ct-H_Ct-Ct CsJ-CsHH 300-1500 2.93E+04 2.41 0 2.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2091 Ct-H_Ct-Ct CsJ-CsCsH 300-1500 2.35E+04 2.41 0 1.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2092 Ct-H_Ct-Ct CsJ-CsCsCs 300-1500 1.74E+04 2.41 0 0.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2093 Ct-H_Ct-Ct CsJ-CdHH 300-1500 3.05E+05 2.41 0 9.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2094 Ct-H_Ct-Ct CsJ-CdCsH 300-1500 5.31E+04 2.41 0 9.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2095 Ct-H_Ct-Ct CsJ-CdCsCs 300-1500 6.86E+03 2.41 0 8.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2096 Ct-H_Ct-Ct CsJ-CdCdH 300-1500 1.07E+05 2.41 0 14.22 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2097 Ct-H_Ct-Ct CsJ-CdCdCs 300-1500 3.65E+04 2.41 0 14.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2098 Ct-H_Ct-Ct CsJ-CbHH 300-1500 1.41E+05 2.41 0 7.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2099 Ct-H_Ct-Ct CsJ-CbCsH 300-1500 3.47E+04 2.41 0 6.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2100 Ct-H_Ct-Ct CsJ-CbCsCs 300-1500 5.56E+03 2.41 0 6.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2101 Ct-H_Ct-Ct CsJ-CtHH 300-1500 1.31E+05 2.41 0 7.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2102 Ct-H_Ct-Ct CsJ-CtCsH 300-1500 2.94E+04 2.41 0 6.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2103 Ct-H_Ct-Ct CsJ-CtCsCs 300-1500 7.51E+03 2.41 0 5.96 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2104 Ct-H_Ct-Ct CdsJ-H 300-1500 1.97E+05 2.41 0 -0.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2105 Ct-H_Ct-Ct CdsJ-Cs 300-1500 1.05E+05 2.41 0 -0.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2106 Ct-H_Ct-Ct CbJ 300-1500 3.12E+05 2.41 0 -2.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2107 Ct-Cs_Ct-H CsJ-HHH 300-1500 1.38E+05 2.41 0 8.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2108 Ct-Cs_Ct-H CsJ-CsHH 300-1500 1.40E+04 2.41 0 8.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2109 Ct-Cs_Ct-H CsJ-CsCsH 300-1500 1.13E+04 2.41 0 7.04 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2110 Ct-Cs_Ct-H CsJ-CsCsCs 300-1500 8.35E+03 2.41 0 5.62 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2111 Ct-Cs_Ct-H CsJ-CdHH 300-1500 1.46E+05 2.41 0 15.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2112 Ct-Cs_Ct-H CsJ-CdCsH 300-1500 2.54E+04 2.41 0 14.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2113 Ct-Cs_Ct-H CsJ-CdCsCs 300-1500 3.29E+03 2.41 0 13.88 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2114 Ct-Cs_Ct-H CsJ-CdCdH 300-1500 5.13E+04 2.41 0 19.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2115 Ct-Cs_Ct-H CsJ-CdCdCs 300-1500 1.75E+04 2.41 0 19.45 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2116 Ct-Cs_Ct-H CsJ-CbHH 300-1500 6.77E+04 2.41 0 12.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2117 Ct-Cs_Ct-H CsJ-CbCsH 300-1500 1.66E+04 2.41 0 12.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2118 Ct-Cs_Ct-H CsJ-CbCsCs 300-1500 2.66E+03 2.41 0 11.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2119 Ct-Cs_Ct-H CsJ-CtHH 300-1500 6.26E+04 2.41 0 12.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2120 Ct-Cs_Ct-H CsJ-CtCsH 300-1500 1.41E+04 2.41 0 12.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2121 Ct-Cs_Ct-H CsJ-CtCsCs 300-1500 3.60E+03 2.41 0 11.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2122 Ct-Cs_Ct-H CdsJ-H 300-1500 9.46E+04 2.41 0 4.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2123 Ct-Cs_Ct-H CdsJ-Cs 300-1500 5.02E+04 2.41 0 4.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2124 Ct-Cs_Ct-H CbJ 300-1500 1.50E+05 2.41 0 2.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2125 Ct-Cs_Ct-Cs CsJ-HHH 300-1500 3.67E+05 2.41 0 9.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2126 Ct-Cs_Ct-Cs CsJ-CsHH 300-1500 3.73E+04 2.41 0 8.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2127 Ct-Cs_Ct-Cs CsJ-CsCsH 300-1500 2.99E+04 2.41 0 7.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2128 Ct-Cs_Ct-Cs CsJ-CsCsCs 300-1500 2.22E+04 2.41 0 6.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2129 Ct-Cs_Ct-Cs CsJ-CdHH 300-1500 3.88E+05 2.41 0 15.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2130 Ct-Cs_Ct-Cs CsJ-CdCsH 300-1500 6.75E+04 2.41 0 15.28 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2131 Ct-Cs_Ct-Cs CsJ-CdCsCs 300-1500 8.73E+03 2.41 0 14.31 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2132 Ct-Cs_Ct-Cs CsJ-CdCdH 300-1500 1.36E+05 2.41 0 20.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2133 Ct-Cs_Ct-Cs CsJ-CdCdCs 300-1500 4.65E+04 2.41 0 19.88 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2134 Ct-Cs_Ct-Cs CsJ-CbHH 300-1500 1.80E+05 2.41 0 13.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2135 Ct-Cs_Ct-Cs CsJ-CbCsH 300-1500 4.42E+04 2.41 0 12.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2136 Ct-Cs_Ct-Cs CsJ-CbCsCs 300-1500 7.07E+03 2.41 0 11.96 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2137 Ct-Cs_Ct-Cs CsJ-CtHH 300-1500 1.66E+05 2.41 0 12.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2138 Ct-Cs_Ct-Cs CsJ-CtCsH 300-1500 3.75E+04 2.41 0 12.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2139 Ct-Cs_Ct-Cs CsJ-CtCsCs 300-1500 9.56E+03 2.41 0 11.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2140 Ct-Cs_Ct-Cs CdsJ-H 300-1500 2.51E+05 2.41 0 5.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2141 Ct-Cs_Ct-Cs CdsJ-Cs 300-1500 1.33E+05 2.41 0 5.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2142 Ct-Cs_Ct-Cs CbJ 300-1500 3.97E+05 2.41 0 3.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2143 Ct-Cs_Ct-Cd CsJ-HHH 300-1500 4.49E+04 2.41 0 5.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2144 Ct-Cs_Ct-Cd CsJ-CsHH 300-1500 4.56E+03 2.41 0 5.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2145 Ct-Cs_Ct-Cd CsJ-CsCsH 300-1500 3.66E+03 2.41 0 4.22 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2146 Ct-Cs_Ct-Cd CsJ-CsCsCs 300-1500 2.71E+03 2.41 0 2.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2147 Ct-Cs_Ct-Cd CsJ-CdHH 300-1500 4.74E+04 2.41 0 12.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2148 Ct-Cs_Ct-Cd CsJ-CdCsH 300-1500 8.26E+03 2.41 0 12.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2149 Ct-Cs_Ct-Cd CsJ-CdCsCs 300-1500 1.07E+03 2.41 0 11.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2150 Ct-Cs_Ct-Cd CsJ-CdCdH 300-1500 1.67E+04 2.41 0 16.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2151 Ct-Cs_Ct-Cd CsJ-CdCdCs 300-1500 5.68E+03 2.41 0 16.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2152 Ct-Cs_Ct-Cd CsJ-CbHH 300-1500 2.20E+04 2.41 0 9.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2153 Ct-Cs_Ct-Cd CsJ-CbCsH 300-1500 5.41E+03 2.41 0 9.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2154 Ct-Cs_Ct-Cd CsJ-CbCsCs 300-1500 8.65E+02 2.41 0 8.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2155 Ct-Cs_Ct-Cd CsJ-CtHH 300-1500 2.03E+04 2.41 0 9.70 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2156 Ct-Cs_Ct-Cd CsJ-CtCsH 300-1500 4.58E+03 2.41 0 9.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2157 Ct-Cs_Ct-Cd CsJ-CtCsCs 300-1500 1.17E+03 2.41 0 8.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2158 Ct-Cs_Ct-Cd CdsJ-H 300-1500 3.07E+04 2.41 0 2.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2159 Ct-Cs_Ct-Cd CdsJ-Cs 300-1500 1.63E+04 2.41 0 1.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2160 Ct-Cs_Ct-Cd CbJ 300-1500 4.86E+04 2.41 0 -0.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2161 Ct-Cs_Ct-Ct CsJ-HHH 300-1500 5.97E+05 2.41 0 5.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2162 Ct-Cs_Ct-Ct CsJ-CsHH 300-1500 6.06E+04 2.41 0 4.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2163 Ct-Cs_Ct-Ct CsJ-CsCsH 300-1500 4.86E+04 2.41 0 3.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2164 Ct-Cs_Ct-Ct CsJ-CsCsCs 300-1500 3.60E+04 2.41 0 2.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2165 Ct-Cs_Ct-Ct CsJ-CdHH 300-1500 6.30E+05 2.41 0 11.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2166 Ct-Cs_Ct-Ct CsJ-CdCsH 300-1500 1.10E+05 2.41 0 11.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2167 Ct-Cs_Ct-Ct CsJ-CdCsCs 300-1500 1.42E+04 2.41 0 10.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2168 Ct-Cs_Ct-Ct CsJ-CdCdH 300-1500 2.21E+05 2.41 0 16.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2169 Ct-Cs_Ct-Ct CsJ-CdCdCs 300-1500 7.55E+04 2.41 0 16.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2170 Ct-Cs_Ct-Ct CsJ-CbHH 300-1500 2.92E+05 2.41 0 9.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2171 Ct-Cs_Ct-Ct CsJ-CbCsH 300-1500 7.18E+04 2.41 0 8.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2172 Ct-Cs_Ct-Ct CsJ-CbCsCs 300-1500 1.15E+04 2.41 0 8.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2173 Ct-Cs_Ct-Ct CsJ-CtHH 300-1500 2.70E+05 2.41 0 9.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2174 Ct-Cs_Ct-Ct CsJ-CtCsH 300-1500 6.08E+04 2.41 0 8.67 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2175 Ct-Cs_Ct-Ct CsJ-CtCsCs 300-1500 1.55E+04 2.41 0 7.99 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2176 Ct-Cs_Ct-Ct CdsJ-H 300-1500 4.08E+05 2.41 0 1.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2177 Ct-Cs_Ct-Ct CdsJ-Cs 300-1500 2.16E+05 2.41 0 1.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2178 Ct-Cs_Ct-Ct CbJ 300-1500 6.45E+05 2.41 0 -0.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2179 Ct-Cd_Ct-H CsJ-HHH 300-1500 3.69E+04 2.41 0 8.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2180 Ct-Cd_Ct-H CsJ-CsHH 300-1500 3.75E+03 2.41 0 8.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2181 Ct-Cd_Ct-H CsJ-CsCsH 300-1500 3.01E+03 2.41 0 6.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2182 Ct-Cd_Ct-H CsJ-CsCsCs 300-1500 2.23E+03 2.41 0 5.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2183 Ct-Cd_Ct-H CsJ-CdHH 300-1500 3.90E+04 2.41 0 14.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2184 Ct-Cd_Ct-H CsJ-CdCsH 300-1500 6.79E+03 2.41 0 14.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2185 Ct-Cd_Ct-H CsJ-CdCsCs 300-1500 8.78E+02 2.41 0 13.71 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2186 Ct-Cd_Ct-H CsJ-CdCdH 300-1500 1.37E+04 2.41 0 19.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2187 Ct-Cd_Ct-H CsJ-CdCdCs 300-1500 4.67E+03 2.41 0 19.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2188 Ct-Cd_Ct-H CsJ-CbHH 300-1500 1.81E+04 2.41 0 12.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2189 Ct-Cd_Ct-H CsJ-CbCsH 300-1500 4.44E+03 2.41 0 11.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2190 Ct-Cd_Ct-H CsJ-CbCsCs 300-1500 7.11E+02 2.41 0 11.36 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2191 Ct-Cd_Ct-H CsJ-CtHH 300-1500 1.67E+04 2.41 0 12.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2192 Ct-Cd_Ct-H CsJ-CtCsH 300-1500 3.77E+03 2.41 0 11.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2193 Ct-Cd_Ct-H CsJ-CtCsCs 300-1500 9.61E+02 2.41 0 11.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2194 Ct-Cd_Ct-H CdsJ-H 300-1500 2.53E+04 2.41 0 4.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2195 Ct-Cd_Ct-H CdsJ-Cs 300-1500 1.34E+04 2.41 0 4.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2196 Ct-Cd_Ct-H CbJ 300-1500 3.99E+04 2.41 0 2.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2197 Ct-Cd_Ct-Cs CsJ-HHH 300-1500 9.81E+04 2.41 0 9.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2198 Ct-Cd_Ct-Cs CsJ-CsHH 300-1500 9.96E+03 2.41 0 8.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2199 Ct-Cd_Ct-Cs CsJ-CsCsH 300-1500 7.99E+03 2.41 0 7.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2200 Ct-Cd_Ct-Cs CsJ-CsCsCs 300-1500 5.92E+03 2.41 0 5.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2201 Ct-Cd_Ct-Cs CsJ-CdHH 300-1500 1.03E+05 2.41 0 15.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2202 Ct-Cd_Ct-Cs CsJ-CdCsH 300-1500 1.80E+04 2.41 0 15.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2203 Ct-Cd_Ct-Cs CsJ-CdCsCs 300-1500 2.33E+03 2.41 0 14.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2204 Ct-Cd_Ct-Cs CsJ-CdCdH 300-1500 3.63E+04 2.41 0 19.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2205 Ct-Cd_Ct-Cs CsJ-CdCdCs 300-1500 1.24E+04 2.41 0 19.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2206 Ct-Cd_Ct-Cs CsJ-CbHH 300-1500 4.80E+04 2.41 0 13.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2207 Ct-Cd_Ct-Cs CsJ-CbCsH 300-1500 1.18E+04 2.41 0 12.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2208 Ct-Cd_Ct-Cs CsJ-CbCsCs 300-1500 1.89E+03 2.41 0 11.79 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2209 Ct-Cd_Ct-Cs CsJ-CtHH 300-1500 4.44E+04 2.41 0 12.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2210 Ct-Cd_Ct-Cs CsJ-CtCsH 300-1500 1.00E+04 2.41 0 12.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2211 Ct-Cd_Ct-Cs CsJ-CtCsCs 300-1500 2.55E+03 2.41 0 11.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2212 Ct-Cd_Ct-Cs CdsJ-H 300-1500 6.71E+04 2.41 0 5.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2213 Ct-Cd_Ct-Cs CdsJ-Cs 300-1500 3.56E+04 2.41 0 5.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2214 Ct-Cd_Ct-Cs CbJ 300-1500 1.06E+05 2.41 0 2.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2215 Ct-Cd_Ct-Cd CsJ-HHH 300-1500 1.20E+04 2.41 0 5.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2216 Ct-Cd_Ct-Cd CsJ-CsHH 300-1500 1.22E+03 2.41 0 5.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2217 Ct-Cd_Ct-Cd CsJ-CsCsH 300-1500 9.77E+02 2.41 0 4.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2218 Ct-Cd_Ct-Cd CsJ-CsCsCs 300-1500 7.24E+02 2.41 0 2.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2219 Ct-Cd_Ct-Cd CsJ-CdHH 300-1500 1.27E+04 2.41 0 12.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2220 Ct-Cd_Ct-Cd CsJ-CdCsH 300-1500 2.20E+03 2.41 0 11.87 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2221 Ct-Cd_Ct-Cd CsJ-CdCsCs 300-1500 2.85E+02 2.41 0 10.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2222 Ct-Cd_Ct-Cd CsJ-CdCdH 300-1500 4.45E+03 2.41 0 16.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2223 Ct-Cd_Ct-Cd CsJ-CdCdCs 300-1500 1.52E+03 2.41 0 16.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2224 Ct-Cd_Ct-Cd CsJ-CbHH 300-1500 5.87E+03 2.41 0 9.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2225 Ct-Cd_Ct-Cd CsJ-CbCsH 300-1500 1.44E+03 2.41 0 9.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2226 Ct-Cd_Ct-Cd CsJ-CbCsCs 300-1500 2.31E+02 2.41 0 8.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2227 Ct-Cd_Ct-Cd CsJ-CtHH 300-1500 5.43E+03 2.41 0 9.54 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2228 Ct-Cd_Ct-Cd CsJ-CtCsH 300-1500 1.22E+03 2.41 0 9.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2229 Ct-Cd_Ct-Cd CsJ-CtCsCs 300-1500 3.12E+02 2.41 0 8.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2230 Ct-Cd_Ct-Cd CdsJ-H 300-1500 8.21E+03 2.41 0 1.99 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2231 Ct-Cd_Ct-Cd CdsJ-Cs 300-1500 4.35E+03 2.41 0 1.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2232 Ct-Cd_Ct-Cd CbJ 300-1500 1.30E+04 2.41 0 -0.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2233 Ct-Cd_Ct-Ct CsJ-HHH 300-1500 1.59E+05 2.41 0 5.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2234 Ct-Cd_Ct-Ct CsJ-CsHH 300-1500 1.62E+04 2.41 0 4.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2235 Ct-Cd_Ct-Ct CsJ-CsCsH 300-1500 1.30E+04 2.41 0 3.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2236 Ct-Cd_Ct-Ct CsJ-CsCsCs 300-1500 9.61E+03 2.41 0 2.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2237 Ct-Cd_Ct-Ct CsJ-CdHH 300-1500 1.68E+05 2.41 0 11.54 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2238 Ct-Cd_Ct-Ct CsJ-CdCsH 300-1500 2.93E+04 2.41 0 11.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2239 Ct-Cd_Ct-Ct CsJ-CdCsCs 300-1500 3.79E+03 2.41 0 10.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2240 Ct-Cd_Ct-Ct CsJ-CdCdH 300-1500 5.90E+04 2.41 0 16.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2241 Ct-Cd_Ct-Ct CsJ-CdCdCs 300-1500 2.02E+04 2.41 0 15.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2242 Ct-Cd_Ct-Ct CsJ-CbHH 300-1500 7.79E+04 2.41 0 9.22 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2243 Ct-Cd_Ct-Ct CsJ-CbCsH 300-1500 1.92E+04 2.41 0 8.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2244 Ct-Cd_Ct-Ct CsJ-CbCsCs 300-1500 3.07E+03 2.41 0 7.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2245 Ct-Cd_Ct-Ct CsJ-CtHH 300-1500 7.20E+04 2.41 0 8.97 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2246 Ct-Cd_Ct-Ct CsJ-CtCsH 300-1500 1.62E+04 2.41 0 8.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2247 Ct-Cd_Ct-Ct CsJ-CtCsCs 300-1500 4.14E+03 2.41 0 7.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2248 Ct-Cd_Ct-Ct CdsJ-H 300-1500 1.09E+05 2.41 0 1.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2249 Ct-Cd_Ct-Ct CdsJ-Cs 300-1500 5.78E+04 2.41 0 1.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2250 Ct-Cd_Ct-Ct CbJ 300-1500 1.72E+05 2.41 0 -0.96 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2251 Ct-Ct_Ct-H CsJ-HHH 300-1500 1.02E+05 2.41 0 8.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2252 Ct-Ct_Ct-H CsJ-CsHH 300-1500 1.04E+04 2.41 0 7.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2253 Ct-Ct_Ct-H CsJ-CsCsH 300-1500 8.34E+03 2.41 0 6.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2254 Ct-Ct_Ct-H CsJ-CsCsCs 300-1500 6.18E+03 2.41 0 5.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2255 Ct-Ct_Ct-H CsJ-CdHH 300-1500 1.08E+05 2.41 0 14.62 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2256 Ct-Ct_Ct-H CsJ-CdCsH 300-1500 1.88E+04 2.41 0 14.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2257 Ct-Ct_Ct-H CsJ-CdCsCs 300-1500 2.43E+03 2.41 0 13.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2258 Ct-Ct_Ct-H CsJ-CdCdH 300-1500 3.79E+04 2.41 0 19.16 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2259 Ct-Ct_Ct-H CsJ-CdCdCs 300-1500 1.30E+04 2.41 0 18.98 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2260 Ct-Ct_Ct-H CsJ-CbHH 300-1500 5.01E+04 2.41 0 12.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2261 Ct-Ct_Ct-H CsJ-CbCsH 300-1500 1.23E+04 2.41 0 11.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2262 Ct-Ct_Ct-H CsJ-CbCsCs 300-1500 1.97E+03 2.41 0 11.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2263 Ct-Ct_Ct-H CsJ-CtHH 300-1500 4.63E+04 2.41 0 12.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2264 Ct-Ct_Ct-H CsJ-CtCsH 300-1500 1.04E+04 2.41 0 11.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2265 Ct-Ct_Ct-H CsJ-CtCsCs 300-1500 2.66E+03 2.41 0 10.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2266 Ct-Ct_Ct-H CdsJ-H 300-1500 7.00E+04 2.41 0 4.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2267 Ct-Ct_Ct-H CdsJ-Cs 300-1500 3.71E+04 2.41 0 4.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2268 Ct-Ct_Ct-H CbJ 300-1500 1.11E+05 2.41 0 2.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2269 Ct-Ct_Ct-Cs CsJ-HHH 300-1500 2.72E+05 2.41 0 8.76 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2270 Ct-Ct_Ct-Cs CsJ-CsHH 300-1500 2.76E+04 2.41 0 8.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2271 Ct-Ct_Ct-Cs CsJ-CsCsH 300-1500 2.21E+04 2.41 0 7.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2272 Ct-Ct_Ct-Cs CsJ-CsCsCs 300-1500 1.64E+04 2.41 0 5.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2273 Ct-Ct_Ct-Cs CsJ-CdHH 300-1500 2.87E+05 2.41 0 15.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2274 Ct-Ct_Ct-Cs CsJ-CdCsH 300-1500 5.00E+04 2.41 0 14.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2275 Ct-Ct_Ct-Cs CsJ-CdCsCs 300-1500 6.46E+03 2.41 0 13.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2276 Ct-Ct_Ct-Cs CsJ-CdCdH 300-1500 1.01E+05 2.41 0 19.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2277 Ct-Ct_Ct-Cs CsJ-CdCdCs 300-1500 3.44E+04 2.41 0 19.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2278 Ct-Ct_Ct-Cs CsJ-CbHH 300-1500 1.33E+05 2.41 0 12.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2279 Ct-Ct_Ct-Cs CsJ-CbCsH 300-1500 3.27E+04 2.41 0 12.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2280 Ct-Ct_Ct-Cs CsJ-CbCsCs 300-1500 5.23E+03 2.41 0 11.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2281 Ct-Ct_Ct-Cs CsJ-CtHH 300-1500 1.23E+05 2.41 0 12.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2282 Ct-Ct_Ct-Cs CsJ-CtCsH 300-1500 2.77E+04 2.41 0 12.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2283 Ct-Ct_Ct-Cs CsJ-CtCsCs 300-1500 7.07E+03 2.41 0 11.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2284 Ct-Ct_Ct-Cs CdsJ-H 300-1500 1.86E+05 2.41 0 4.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2285 Ct-Ct_Ct-Cs CdsJ-Cs 300-1500 9.86E+04 2.41 0 4.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2286 Ct-Ct_Ct-Cs CbJ 300-1500 2.94E+05 2.41 0 2.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2287 Ct-Ct_Ct-Cd CsJ-HHH 300-1500 3.33E+04 2.41 0 5.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2288 Ct-Ct_Ct-Cd CsJ-CsHH 300-1500 3.38E+03 2.41 0 4.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2289 Ct-Ct_Ct-Cd CsJ-CsCsH 300-1500 2.71E+03 2.41 0 3.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2290 Ct-Ct_Ct-Cd CsJ-CsCsCs 300-1500 2.01E+03 2.41 0 2.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2291 Ct-Ct_Ct-Cd CsJ-CdHH 300-1500 3.51E+04 2.41 0 11.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2292 Ct-Ct_Ct-Cd CsJ-CdCsH 300-1500 6.11E+03 2.41 0 11.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2293 Ct-Ct_Ct-Cd CsJ-CdCsCs 300-1500 7.90E+02 2.41 0 10.59 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2294 Ct-Ct_Ct-Cd CsJ-CdCdH 300-1500 1.23E+04 2.41 0 16.35 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2295 Ct-Ct_Ct-Cd CsJ-CdCdCs 300-1500 4.21E+03 2.41 0 16.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2296 Ct-Ct_Ct-Cd CsJ-CbHH 300-1500 1.63E+04 2.41 0 9.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2297 Ct-Ct_Ct-Cd CsJ-CbCsH 300-1500 4.00E+03 2.41 0 8.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2298 Ct-Ct_Ct-Cd CsJ-CbCsCs 300-1500 6.40E+02 2.41 0 8.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2299 Ct-Ct_Ct-Cd CsJ-CtHH 300-1500 1.50E+04 2.41 0 9.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2300 Ct-Ct_Ct-Cd CsJ-CtCsH 300-1500 3.39E+03 2.41 0 8.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2301 Ct-Ct_Ct-Cd CsJ-CtCsCs 300-1500 8.65E+02 2.41 0 8.09 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2302 Ct-Ct_Ct-Cd CdsJ-H 300-1500 2.27E+04 2.41 0 1.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2303 Ct-Ct_Ct-Cd CdsJ-Cs 300-1500 1.21E+04 2.41 0 1.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2304 Ct-Ct_Ct-Cd CbJ 300-1500 3.59E+04 2.41 0 -0.70 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2305 Ct-Ct_Ct-Ct CsJ-HHH 300-1500 4.41E+05 2.41 0 4.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2306 Ct-Ct_Ct-Ct CsJ-CsHH 300-1500 4.48E+04 2.41 0 4.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2307 Ct-Ct_Ct-Ct CsJ-CsCsH 300-1500 3.60E+04 2.41 0 3.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2308 Ct-Ct_Ct-Ct CsJ-CsCsCs 300-1500 2.66E+04 2.41 0 1.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2309 Ct-Ct_Ct-Ct CsJ-CdHH 300-1500 4.66E+05 2.41 0 11.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2310 Ct-Ct_Ct-Ct CsJ-CdCsH 300-1500 8.12E+04 2.41 0 11.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2311 Ct-Ct_Ct-Ct CsJ-CdCsCs 300-1500 1.05E+04 2.41 0 10.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2312 Ct-Ct_Ct-Ct CsJ-CdCdH 300-1500 1.64E+05 2.41 0 15.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2313 Ct-Ct_Ct-Ct CsJ-CdCdCs 300-1500 5.59E+04 2.41 0 15.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2314 Ct-Ct_Ct-Ct CsJ-CbHH 300-1500 2.16E+05 2.41 0 8.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2315 Ct-Ct_Ct-Ct CsJ-CbCsH 300-1500 5.31E+04 2.41 0 8.22 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2316 Ct-Ct_Ct-Ct CsJ-CbCsCs 300-1500 8.50E+03 2.41 0 7.68 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2317 Ct-Ct_Ct-Ct CsJ-CtHH 300-1500 2.00E+05 2.41 0 8.67 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2318 Ct-Ct_Ct-Ct CsJ-CtCsH 300-1500 4.50E+04 2.41 0 8.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2319 Ct-Ct_Ct-Ct CsJ-CtCsCs 300-1500 1.15E+04 2.41 0 7.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2320 Ct-Ct_Ct-Ct CdsJ-H 300-1500 3.02E+05 2.41 0 1.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2321 Ct-Ct_Ct-Ct CdsJ-Cs 300-1500 1.60E+05 2.41 0 0.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2322 Ct-Ct_Ct-Ct CbJ 300-1500 4.77E+05 2.41 0 -1.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 - -2323 Cds-HH_Cds-HH HJ 300-1500 2.31E+08 1.64 0 1.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2324 Cds-HH_Cds-CsH HJ 300-1500 2.48E+08 1.64 0 0.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2325 Cds-HH_Cds-CsCs HJ 300-1500 2.88E+08 1.64 0 -0.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2326 Cds-HH_Cds-CdH HJ 300-1500 2.31E+08 1.64 0 -0.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2327 Cds-HH_Cds-CdCs HJ 300-1500 2.58E+08 1.64 0 -0.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2328 Cds-HH_Cds-CdCd HJ 300-1500 2.48E+08 1.64 0 -1.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2329 Cds-HH_Cds-CtH HJ 300-1500 2.23E+08 1.64 0 -0.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2330 Cds-HH_Cds-CtCs HJ 300-1500 2.56E+08 1.64 0 -0.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2331 Cds-HH_Cds-CdCt HJ 300-1500 7.57E+07 1.64 0 -1.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2332 Cds-HH_Cds-CtCt HJ 300-1500 2.25E+08 1.64 0 -0.67 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2333 Cds-HH_Cds-CbH HJ 300-1500 6.00E+07 1.64 0 1.55 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2334 Cds-HH_Cds-CbCs HJ 300-1500 1.77E+08 1.64 0 1.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2335 Cds-HH_Ca HJ 300-1500 2.09E+08 1.64 0 1.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2336 Cds-CsH_Cds-HH HJ 300-1500 1.36E+08 1.64 0 1.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2337 Cds-CsH_Cds-CsH HJ 300-1500 1.46E+08 1.64 0 1.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2338 Cds-CsH_Cds-CsCs HJ 300-1500 1.69E+08 1.64 0 0.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2339 Cds-CsH_Cds-CdH HJ 300-1500 1.35E+08 1.64 0 0.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2340 Cds-CsH_Cds-CdCs HJ 300-1500 1.52E+08 1.64 0 0.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2341 Cds-CsH_Cds-CdCd HJ 300-1500 1.46E+08 1.64 0 -0.54 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2342 Cds-CsH_Cds-CtH HJ 300-1500 1.31E+08 1.64 0 0.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2343 Cds-CsH_Cds-CtCs HJ 300-1500 1.50E+08 1.64 0 0.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2344 Cds-CsH_Cds-CdCt HJ 300-1500 4.44E+07 1.64 0 -0.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2345 Cds-CsH_Cds-CtCt HJ 300-1500 1.32E+08 1.64 0 0.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2346 Cds-CsH_Cds-CbH HJ 300-1500 3.52E+07 1.64 0 2.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2347 Cds-CsH_Cds-CbCs HJ 300-1500 1.04E+08 1.64 0 1.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2348 Cds-CsH_Ca HJ 300-1500 1.23E+08 1.64 0 2.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2349 Cds-CsCs_Cds-HH HJ 300-1500 7.20E+07 1.64 0 2.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2350 Cds-CsCs_Cds-CsH HJ 300-1500 7.72E+07 1.64 0 2.17 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2351 Cds-CsCs_Cds-CsCs HJ 300-1500 8.96E+07 1.64 0 1.65 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2352 Cds-CsCs_Cds-CdH HJ 300-1500 7.17E+07 1.64 0 1.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2353 Cds-CsCs_Cds-CdCs HJ 300-1500 8.03E+07 1.64 0 0.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2354 Cds-CsCs_Cds-CdCd HJ 300-1500 7.71E+07 1.64 0 0.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2355 Cds-CsCs_Cds-CtH HJ 300-1500 6.92E+07 1.64 0 1.46 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2356 Cds-CsCs_Cds-CtCs HJ 300-1500 7.96E+07 1.64 0 1.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2357 Cds-CsCs_Cds-CdCt HJ 300-1500 2.35E+07 1.64 0 0.37 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2358 Cds-CsCs_Cds-CtCt HJ 300-1500 6.98E+07 1.64 0 0.99 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2359 Cds-CsCs_Cds-CbH HJ 300-1500 1.87E+07 1.64 0 3.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2360 Cds-CsCs_Cds-CbCs HJ 300-1500 5.50E+07 1.64 0 2.70 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2361 Cds-CsCs_Ca HJ 300-1500 6.51E+07 1.64 0 2.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2362 Cds-CdH_Cds-HH HJ 300-1500 1.62E+08 1.64 0 2.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2363 Cds-CdH_Cds-CsH HJ 300-1500 1.74E+08 1.64 0 1.91 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2364 Cds-CdH_Cds-CsCs HJ 300-1500 2.02E+08 1.64 0 1.39 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2365 Cds-CdH_Cds-CdH HJ 300-1500 1.62E+08 1.64 0 0.92 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2366 Cds-CdH_Cds-CdCs HJ 300-1500 1.81E+08 1.64 0 0.67 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2367 Cds-CdH_Cds-CdCd HJ 300-1500 1.74E+08 1.64 0 -0.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2368 Cds-CdH_Cds-CtH HJ 300-1500 1.56E+08 1.64 0 1.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2369 Cds-CdH_Cds-CtCs HJ 300-1500 1.79E+08 1.64 0 0.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2370 Cds-CdH_Cds-CdCt HJ 300-1500 5.31E+07 1.64 0 0.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2371 Cds-CdH_Cds-CtCt HJ 300-1500 1.57E+08 1.64 0 0.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2372 Cds-CdH_Cds-CbH HJ 300-1500 4.20E+07 1.64 0 2.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2373 Cds-CdH_Cds-CbCs HJ 300-1500 1.24E+08 1.64 0 2.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2374 Cds-CdH_Ca HJ 300-1500 1.47E+08 1.64 0 2.56 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2375 Cds-CdCs_Cds-HH HJ 300-1500 1.04E+08 1.64 0 3.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2376 Cds-CdCs_Cds-CsH HJ 300-1500 1.11E+08 1.64 0 2.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2377 Cds-CdCs_Cds-CsCs HJ 300-1500 1.29E+08 1.64 0 2.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2378 Cds-CdCs_Cds-CdH HJ 300-1500 1.03E+08 1.64 0 1.67 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2379 Cds-CdCs_Cds-CdCs HJ 300-1500 1.16E+08 1.64 0 1.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2380 Cds-CdCs_Cds-CdCd HJ 300-1500 1.11E+08 1.64 0 0.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2381 Cds-CdCs_Cds-CtH HJ 300-1500 9.97E+07 1.64 0 1.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2382 Cds-CdCs_Cds-CtCs HJ 300-1500 1.15E+08 1.64 0 1.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2383 Cds-CdCs_Cds-CdCt HJ 300-1500 3.39E+07 1.64 0 0.86 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2384 Cds-CdCs_Cds-CtCt HJ 300-1500 1.01E+08 1.64 0 1.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2385 Cds-CdCs_Cds-CbH HJ 300-1500 2.69E+07 1.64 0 3.70 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2386 Cds-CdCs_Cds-CbCs HJ 300-1500 7.92E+07 1.64 0 3.20 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2387 Cds-CdCs_Ca HJ 300-1500 9.38E+07 1.64 0 3.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2388 Cds-CdCd_Cds-HH HJ 300-1500 1.35E+08 1.64 0 3.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2389 Cds-CdCd_Cds-CsH HJ 300-1500 1.45E+08 1.64 0 3.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2390 Cds-CdCd_Cds-CsCs HJ 300-1500 1.68E+08 1.64 0 2.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2391 Cds-CdCd_Cds-CdH HJ 300-1500 1.34E+08 1.64 0 2.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2392 Cds-CdCd_Cds-CdCs HJ 300-1500 1.51E+08 1.64 0 2.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2393 Cds-CdCd_Cds-CdCd HJ 300-1500 1.45E+08 1.64 0 1.38 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2394 Cds-CdCd_Cds-CtH HJ 300-1500 1.30E+08 1.64 0 2.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2395 Cds-CdCd_Cds-CtCs HJ 300-1500 1.49E+08 1.64 0 2.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2396 Cds-CdCd_Cds-CdCt HJ 300-1500 4.41E+07 1.64 0 1.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2397 Cds-CdCd_Cds-CtCt HJ 300-1500 1.31E+08 1.64 0 2.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2398 Cds-CdCd_Cds-CbH HJ 300-1500 3.50E+07 1.64 0 4.33 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2399 Cds-CdCd_Cds-CbCs HJ 300-1500 1.03E+08 1.64 0 3.83 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2400 Cds-CdCd_Ca HJ 300-1500 1.22E+08 1.64 0 3.95 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2401 Cds-CtH_Cds-HH HJ 300-1500 1.49E+08 1.64 0 2.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2402 Cds-CtH_Cds-CsH HJ 300-1500 1.60E+08 1.64 0 2.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2403 Cds-CtH_Cds-CsCs HJ 300-1500 1.85E+08 1.64 0 1.60 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2404 Cds-CtH_Cds-CdH HJ 300-1500 1.48E+08 1.64 0 1.13 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2405 Cds-CtH_Cds-CdCs HJ 300-1500 1.66E+08 1.64 0 0.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2406 Cds-CtH_Cds-CdCd HJ 300-1500 1.59E+08 1.64 0 0.21 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2407 Cds-CtH_Cds-CtH HJ 300-1500 1.43E+08 1.64 0 1.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2408 Cds-CtH_Cds-CtCs HJ 300-1500 1.65E+08 1.64 0 1.15 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2409 Cds-CtH_Cds-CdCt HJ 300-1500 4.87E+07 1.64 0 0.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2410 Cds-CtH_Cds-CtCt HJ 300-1500 1.44E+08 1.64 0 0.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2411 Cds-CtH_Cds-CbH HJ 300-1500 3.86E+07 1.64 0 3.16 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2412 Cds-CtH_Cds-CbCs HJ 300-1500 1.14E+08 1.64 0 2.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2413 Cds-CtH_Ca HJ 300-1500 1.35E+08 1.64 0 2.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2414 Cds-CtCs_Cds-HH HJ 300-1500 9.17E+07 1.64 0 3.73 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2415 Cds-CtCs_Cds-CsH HJ 300-1500 9.84E+07 1.64 0 3.24 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2416 Cds-CtCs_Cds-CsCs HJ 300-1500 1.14E+08 1.64 0 2.72 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2417 Cds-CtCs_Cds-CdH HJ 300-1500 9.13E+07 1.64 0 2.25 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2418 Cds-CtCs_Cds-CdCs HJ 300-1500 1.02E+08 1.64 0 2.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2419 Cds-CtCs_Cds-CdCd HJ 300-1500 9.83E+07 1.64 0 1.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2420 Cds-CtCs_Cds-CtH HJ 300-1500 8.83E+07 1.64 0 2.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2421 Cds-CtCs_Cds-CtCs HJ 300-1500 1.01E+08 1.64 0 2.26 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2422 Cds-CtCs_Cds-CdCt HJ 300-1500 3.00E+07 1.64 0 1.43 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2423 Cds-CtCs_Cds-CtCt HJ 300-1500 8.90E+07 1.64 0 2.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2424 Cds-CtCs_Cds-CbH HJ 300-1500 2.38E+07 1.64 0 4.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2425 Cds-CtCs_Cds-CbCs HJ 300-1500 7.01E+07 1.64 0 3.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2426 Cds-CtCs_Ca HJ 300-1500 8.30E+07 1.64 0 3.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2427 Cds-CdCt_Cds-HH HJ 300-1500 1.36E+08 1.64 0 4.30 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2428 Cds-CdCt_Cds-CsH HJ 300-1500 1.45E+08 1.64 0 3.81 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2429 Cds-CdCt_Cds-CsCs HJ 300-1500 1.69E+08 1.64 0 3.29 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2430 Cds-CdCt_Cds-CdH HJ 300-1500 1.35E+08 1.64 0 2.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2431 Cds-CdCt_Cds-CdCs HJ 300-1500 1.51E+08 1.64 0 2.58 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2432 Cds-CdCt_Cds-CdCd HJ 300-1500 1.45E+08 1.64 0 1.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2433 Cds-CdCt_Cds-CtH HJ 300-1500 1.30E+08 1.64 0 3.10 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2434 Cds-CdCt_Cds-CtCs HJ 300-1500 1.50E+08 1.64 0 2.84 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2435 Cds-CdCt_Cds-CdCt HJ 300-1500 4.43E+07 1.64 0 2.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2436 Cds-CdCt_Cds-CtCt HJ 300-1500 1.32E+08 1.64 0 2.63 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2437 Cds-CdCt_Cds-CbH HJ 300-1500 3.51E+07 1.64 0 4.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2438 Cds-CdCt_Cds-CbCs HJ 300-1500 1.04E+08 1.64 0 4.34 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2439 Cds-CdCt_Ca HJ 300-1500 1.23E+08 1.64 0 4.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2440 Cds-CtCt_Cds-HH HJ 300-1500 1.27E+08 1.64 0 4.90 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2441 Cds-CtCt_Cds-CsH HJ 300-1500 1.36E+08 1.64 0 4.41 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2442 Cds-CtCt_Cds-CsCs HJ 300-1500 1.58E+08 1.64 0 3.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2443 Cds-CtCt_Cds-CdH HJ 300-1500 1.26E+08 1.64 0 3.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2444 Cds-CtCt_Cds-CdCs HJ 300-1500 1.41E+08 1.64 0 3.18 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2445 Cds-CtCt_Cds-CdCd HJ 300-1500 1.36E+08 1.64 0 2.49 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2446 Cds-CtCt_Cds-CtH HJ 300-1500 1.22E+08 1.64 0 3.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2447 Cds-CtCt_Cds-CtCs HJ 300-1500 1.40E+08 1.64 0 3.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2448 Cds-CtCt_Cds-CdCt HJ 300-1500 4.14E+07 1.64 0 2.61 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2449 Cds-CtCt_Cds-CtCt HJ 300-1500 1.23E+08 1.64 0 3.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2450 Cds-CtCt_Cds-CbH HJ 300-1500 3.28E+07 1.64 0 5.44 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2451 Cds-CtCt_Cds-CbCs HJ 300-1500 9.68E+07 1.64 0 4.94 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2452 Cds-CtCt_Ca HJ 300-1500 1.15E+08 1.64 0 5.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2453 Cds-CbH_Cds-HH HJ 300-1500 4.70E+07 1.64 0 4.53 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2454 Cds-CbH_Cds-CsH HJ 300-1500 5.04E+07 1.64 0 4.03 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2455 Cds-CbH_Cds-CsCs HJ 300-1500 5.85E+07 1.64 0 3.51 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2456 Cds-CbH_Cds-CdH HJ 300-1500 4.68E+07 1.64 0 3.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2457 Cds-CbH_Cds-CdCs HJ 300-1500 5.24E+07 1.64 0 2.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2458 Cds-CbH_Cds-CdCd HJ 300-1500 5.03E+07 1.64 0 2.12 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2459 Cds-CbH_Cds-CtH HJ 300-1500 4.52E+07 1.64 0 3.32 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2460 Cds-CbH_Cds-CtCs HJ 300-1500 5.19E+07 1.64 0 3.06 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2461 Cds-CbH_Cds-CdCt HJ 300-1500 1.54E+07 1.64 0 2.23 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2462 Cds-CbH_Cds-CtCt HJ 300-1500 4.56E+07 1.64 0 2.85 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2463 Cds-CbH_Cds-CbH HJ 300-1500 1.22E+07 1.64 0 5.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2464 Cds-CbH_Cds-CbCs HJ 300-1500 3.59E+07 1.64 0 4.57 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2465 Cds-CbH_Ca HJ 300-1500 4.25E+07 1.64 0 4.69 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2466 Cds-CbCs_Cds-HH HJ 300-1500 6.73E+07 1.64 0 4.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2467 Cds-CbCs_Cds-CsH HJ 300-1500 7.22E+07 1.64 0 3.99 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2468 Cds-CbCs_Cds-CsCs HJ 300-1500 8.37E+07 1.64 0 3.47 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2469 Cds-CbCs_Cds-CdH HJ 300-1500 6.70E+07 1.64 0 3.00 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2470 Cds-CbCs_Cds-CdCs HJ 300-1500 7.51E+07 1.64 0 2.75 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2471 Cds-CbCs_Cds-CdCd HJ 300-1500 7.21E+07 1.64 0 2.07 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2472 Cds-CbCs_Cds-CtH HJ 300-1500 6.48E+07 1.64 0 3.27 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2473 Cds-CbCs_Cds-CtCs HJ 300-1500 7.44E+07 1.64 0 3.01 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2474 Cds-CbCs_Cds-CdCt HJ 300-1500 2.20E+07 1.64 0 2.19 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2475 Cds-CbCs_Cds-CtCt HJ 300-1500 6.53E+07 1.64 0 2.80 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2476 Cds-CbCs_Cds-CbH HJ 300-1500 1.74E+07 1.64 0 5.02 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2477 Cds-CbCs_Cds-CbCs HJ 300-1500 5.14E+07 1.64 0 4.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2478 Cds-CbCs_Ca HJ 300-1500 6.09E+07 1.64 0 4.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 - -2479 Ct-H_Ct-H HJ 300-1500 5.15E+08 1.64 0 2.11 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2480 Ct-H_Ct-Cs HJ 300-1500 1.50E+09 1.64 0 3.13 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2481 Ct-H_Ct-Cd HJ 300-1500 5.70E+08 1.64 0 1.64 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2482 Ct-H_Ct-Ct HJ 300-1500 4.24E+09 1.64 0 1.48 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2483 Ct-Cs_Ct-H HJ 300-1500 6.92E+08 1.64 0 3.40 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2484 Ct-Cs_Ct-Cs HJ 300-1500 2.02E+09 1.64 0 4.42 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2485 Ct-Cs_Ct-Cd HJ 300-1500 7.66E+08 1.64 0 2.93 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2486 Ct-Cs_Ct-Ct HJ 300-1500 5.71E+09 1.64 0 2.77 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2487 Ct-Cd_Ct-H HJ 300-1500 2.62E+08 1.64 0 3.52 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2488 Ct-Cd_Ct-Cs HJ 300-1500 7.63E+08 1.64 0 4.54 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2489 Ct-Cd_Ct-Cd HJ 300-1500 2.90E+08 1.64 0 3.05 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2490 Ct-Cd_Ct-Ct HJ 300-1500 2.16E+09 1.64 0 2.89 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2491 Ct-Ct_Ct-H HJ 300-1500 8.37E+08 1.64 0 4.13 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2492 Ct-Ct_Ct-Cs HJ 300-1500 2.44E+09 1.64 0 5.14 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2493 Ct-Ct_Ct-Cd HJ 300-1500 9.27E+08 1.64 0 3.66 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2494 Ct-Ct_Ct-Ct HJ 300-1500 6.90E+09 1.64 0 3.50 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 - -2495 Ca_Cds-HH HJ 300-1500 4.42E+08 1.64 0 2.82 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2496 Ca_Cds-CsH HJ 300-1500 5.46E+08 1.64 0 3.78 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2497 Ca_Cds-CsCs HJ 300-1500 3.06E+08 1.64 0 2.74 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 - - -// Addition reactions involving S atoms - -2498 Cds-HH_Sd HJ 300-1500 4.62E+08 1.7 0 0.6 0 0 0 0 1 Aaron Vandeputte GAVs G3 - -2499 Cds-HH_Sd CsJ-HHH 300-1500 1.15E+04 2.8 0 -0.2 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 -2500 Cds-HH_Sd CsJ-CsHH 300-1500 5.57E+02 2.9 0 -2.2 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 ref + G3 contributie -2501 Cds-HH_Sd CsJ-CsCsH 300-1500 1.78E+02 2.9 0 -4.0 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 ref + G3 contributie -2502 Cds-HH_Sd CsJ-CsCsCs 300-1500 1.20E+02 3.0 0 -5.2 0 0 0 0 4 Aaron Vandeputte GAVs CBS-QB3 ref + G3 contributie - -2511 Cds-HH_Sd SsJ-H 300-1500 1.46E+04 2.5 0 -1.4 0 0 0 0 1 Aaron Vandeputte GAVs G3 -2512 Cds-HH_Sd SsJ-Cs 300-1500 8.58E+02 2.9 0 -0.9 0 0 0 0 1 Aaron Vandeputte GAVs G3 -2516 Cds-HH_Sd SsJ-Ss 300-1500 3.19E+01 3.0 0 3.0 0 0 0 0 1 Aaron Vandeputte GAVs G3 -2517 Cds-CsH_Sd CsJ-HHH 300-1500 8.71E+02 2.7 0 4.0 0 0 0 0 1 Aaron Vandeputte GAVs G3 -2518 Cds-CsCs_Sd CsJ-HHH 300-1500 1.95E+02 2.6 0 5.4 0 0 0 0 1 Aaron Vandeputte GAVs G3 - -2521 Sd_Cds-HH HJ 300-1500 9.50E+08 1.7 0 -0.7 0 0 0 0 1 Aaron Vandeputte GAVs G3 -2522 Sd_Cds-HH CsJ-HHH 300-1500 3.76E+03 2.9 0 1.0 0 0 0 0 1 Aaron Vandeputte GAVs G3 -2523 Sd_Cds-HH CsJ-CsHH 300-1500 1.69E+02 3.0 0 -1.0 0 0 0 0 1 Aaron Vandeputte GAVs G3 -2524 Sd_Cds-HH CsJ-CsCsH 300-1500 6.44E+01 3.0 0 -2.4 0 0 0 0 1 Aaron Vandeputte GAVs G3 -2525 Sd_Cds-HH CsJ-CsCsCs 300-1500 3.62E+01 3.1 0 -3.2 0 0 0 0 1 Aaron Vandeputte GAVs G3 -2534 Sd_Cds-HH SsJ-H 300-1500 7.22E+03 2.6 0 -6.0 0 0 0 0 1 Aaron Vandeputte GAVs G3 -2535 Sd_Cds-HH SsJ-Cs 300-1500 3.82E+02 3.0 0 -3.4 0 0 0 0 1 Aaron Vandeputte GAVs G3 -2539 Sd_Cds-HH SsJ-Ss 300-1500 1.34E+01 3.3 0 1.5 0 0 0 0 1 Aaron Vandeputte GAVs G3 -2540 Sd_Cds-CsH CsJ-HHH 300-1500 5.36E+03 2.8 0 1.7 0 0 0 0 1 Aaron Vandeputte GAVs G3 -2541 Sd_Cds-CsCs CsJ-HHH 300-1500 5.29E+03 2.7 0 2.1 0 0 0 0 1 Aaron Vandeputte GAVs G3 -2542 Sd_Cds-CdH CsJ-HHH 300-1500 1.65E+03 3.2 0 1.0 0 0 0 0 1 Aaron Vandeputte GAVs G3 -2543 Sd_Cds-CdCs CsJ-HHH 300-1500 1.68E+03 3.1 0 1.0 0 0 0 0 1 Aaron Vandeputte GAVs G3 -2544 Cds-HH_Cds-HH SsJ-H 300-1500 2.49E+03 2.7 0 -0.8 0 0 0 0 1 Aaron Vandeputte GAVs G3 -2545 Cds-HH_Cds-HH SsJ-Cs 300-1500 7.39E+01 3.1 0 1.3 0 0 0 0 1 Aaron Vandeputte GAVs G3 -2549 Cds-HH_Cds-HH SsJ-Ss 300-1500 4.21E+00 3.3 0 7.4 0 0 0 0 1 Aaron Vandeputte GAVs G3 - - -// A.G Vandeputte, merging with the data from the original MIT database -// I removed the Mark Saeys values with are captured completely in the values above -// Carbon -3000 R_R YJ 300-1500 1E+13 0 0 0.5 0 0 0 0 0 Default -3001 Cds-HH_Cds HJ 300-1500 1E+13 0 0 1.2 0 0 0 0 5 Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146] -3002 Cds-CsH_Cds HJ 300-1500 1E+13 0 0 2.9 0 0 0 0 5 Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146] -3003 Cds-CsCs_Cds HJ 300-1500 1E+13 0 0 2.9 0 0 0 0 5 Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146] -3004 Cds-HH_Cds CsJ 300-1500 8.5E+10 0 0 7.8 0 0 0 0 5 Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146] -3005 Cds-CsH_Cds CsJ 300-1500 8.5E+10 0 0 10.6 0 0 0 0 5 Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146] -3006 Cds-CsCs_Cds CsJ 300-1500 8.5E+10 0 0 10.6 0 0 0 0 5 Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146] -3007 Cds-HH_Cds O_rad/NonDe 300-1500 1.0E+11 0 0 12.5 0 0 0 0 5 Curran et al. [8] in his reaction type 20. Based on recommendations of Chen and Bozzelli [57] -3008 Cds-CsH_Cds O_rad/NonDe 300-1500 1.0E+11 0 0 11.0 0 0 0 0 5 Curran et al. [8] in his reaction type 20. Based on recommendations of Chen and Bozzelli [57] -3009 Cds-CsCs_Cds O_rad/NonDe 300-1500 1.0E+11 0 0 7.6 0 0 0 0 5 Curran et al. [8] in his reaction type 20. Based on recommendations of Chen and Bozzelli [57] -3010 Cds-HH_Cds-HH HJ 200-1100 1.985E+09 1.28 0 1.29 *2.0 0 0 0 4 Baulch et al. [94] literature review. -3011 Cds-HH_Cds-HH CsJ-HHH 300-2500 1.655E+11 0 0 7.71 *1.3 0 0 0 4 Tsang et al. [89] literature review. -3012 Cds-HH_Cds-HH CsJ-CsHH 298-1500 1.99E+03 2.44 0 5.37 0 0 0 0 2 Knyazev et al. [147] -3013 Cds-HH_Cds-HH CsJ-OsHH 300-2500 2.41E+10 0 0 6.96 *5.0 0 0 0 4 Tsang et al. [90] literature review. -3014 Cds-HH_Cds-HH CdsJ-H 1260-1310 1.0E+11 0 0 2.01 0 0 0 0 5 Weissman and Benson [148] Estimated values. -3015 Cds-HH_Cds-HH O_pri_rad 300-1500 2.71E+12 0 0 0 0 0 0 0 4 Tsang et al. [89] literature review. -3016 Cds-HH_Cds-CsH HJ 500-2500 1.3E+13 0 0 1.56 0 0 0 0 4 Tsang [149] experiments and limited review. -3017 Cds-HH_Cds-CsH CsJ-HHH 298-1500 1.28E+05 2.28 0 6.60 0 0 0 0 4 Knyazev et al. [150] -3018 Cds-HH_Cds-CsH CsJ-HHH 300-2500 1.69E+11 0 0 7.41 *1.4 0 0 0 4 Tsang [93] literature review. -3019 Cds-HH_Cds-CsH CsJ-CdHH 762-811 3.55E+11 0 0 16.89 0 0 0 0 4 Barbe et al. [151] Data are estimated. -3020 Cds-HH_Cds-CsH CsJ-CsCsCs 300-2500 3.07E+09 0 0 5.88 *10.0 0 0 0 4 Tsang [93] literature review. -3021 Cds-HH_Cds-CdH CsJ-HHH 743-772 3.155E+10 0 0 7.49 0 0 0 0 5 Perrin et al. [152] Data are estimated. -3022 Cds-HH_Cds-CsCs HJ 712-779 6.21E+12 0.25 0 1.46 0 0 0 0 4 Knyazev et al. [153] -3023 Cds-HH_Cds-CsCs CsJ-HHH 391-449 2.51E+11 0 0 6.70 0 0 0 0 4 Seres et al. [154] Data derived from fitting a complex mechanism. -3024 Cds-CsH_Cds-HH HJ 500-2500 1.3E+13 0 0 3.26 0 0 0 0 4 Tsang [149] experiments and limited review. -3025 Cds-CsH_Cds-HH CsJ-HHH 298-1500 1.0E+04 2.57 0 7.71 0 0 0 0 4 Knyazev et al. [147] -3026 Cds-CsH_Cds-HH CsJ-HHH 300-2500 9.64E+10 0 0 8.01 *3.0 0 0 0 4 Tsang [93] literature review. -3027 Cds-CsCs_Cds-HH CsJ-HHH 560-650 2.23E+11 0 0 10.59 0 0 0 0 5 Slagle et al. [155] Data derived from detailed balance/reverse rate. -3028 Cds-HH_Ca HJ 300-1500 1E+13 0 0 1.2 0 0 0 0 5 Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146] -3029 Cds-CsH_Ca HJ 300-1500 1E+13 0 0 2.9 0 0 0 0 5 Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146] -3030 Cds-CsCs_Ca HJ 300-1500 1E+13 0 0 2.9 0 0 0 0 5 Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146] -3031 Cds-HH_Ca CsJ 300-1500 8.5E+10 0 0 7.8 0 0 0 0 5 Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146] -3032 Cds-CsH_Ca CsJ 300-1500 8.5E+10 0 0 10.6 0 0 0 0 5 Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146] -3033 Cds-CsCs_Ca CsJ 300-1500 8.5E+10 0 0 10.6 0 0 0 0 5 Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146] -3034 Cds-HH_Ca CsJ-HHH 573-595 5.75E+10 0 0 6.84 0 0 0 0.20 5 Scherzer et al. [156] Data derived from fitting a complex mechanism. -3035 Ca_Cds-HH HJ 350-1200 1.2E+11 0.69 0 3.00 *2.5 0 0 0 4 Tsang et al. [157] -3036 Ca_Cds-HH CsJ-HHH 996-1180 1.58E+11 0 0 4.97 0 0 0 0 5 Tsang [158] Data is estimated. -3037 CO_O HJ 300-1500 1.0E+11 0 0 11.9 0 0 0 0 5 Curran et al. [8] in his reaction type 18. -3038 CO_O CsJ 300-1500 1.0E+11 0 0 11.9 0 0 0 0 5 Curran et al. [8] in his reaction type 18. -3039 CO_O CO_pri_rad 300-1500 5.2E+11 0 0 6.560 0 0 0 0 4 Bozzelli et al. [144] based on CH3 addition to CO (Anastasi and Maw) -3040 CO_O O_rad/OneDe 300-1500 1.3E+11 0 0 7.4 0 0 0 0 5 Curran esitmation [159] in DME oxidation modeling for ketohydroperoxide decomposition. -3041 CO/H2_O CsJ-CsHH 333-363 7.94E+10 0 0 6.70 0 0 0 0.47 5 Knoll et al. [160] Data derived from fitting a complex mechanism. -3042 CO/Nd2_O CsJ-HHH 413-563 3.16E+10 0 0 11.51 0 0 0 1.15 3 Knoll et al. [161] -3043 Ct-H_Ct-H HJ 300-2000 2.75E+12 0 0 2.42 0 0 0 0 4 Warnatz [134] literature review. -3044 Ct-H_Ct-H CsJ-HHH 370-478 1.875E+11 0 0 7.77 0 0 0 0 4 E.W. Diau and M.C. Lin [162] RRK(M) extrapolation. -3045 Ct-H_Ct-H CsJ-CsHH 373-473 2.505E+10 0 0 6.99 0 0 0 0 4 Kerr et al. [163] literature review. -3046 Ct-H_Ct-H CsJ-CdHH 300-2500 1.595E+10 0 0 6.96 *10.0 0 0 0 4 Tsang [93] literature review. -3047 Ct-H_Ct-H CsJ-CsCsH 363-577 2.505E+10 0 0 6.90 0 0 0 0 5 Kerr et al. [163] literature review. -3048 Ct-H_Ct-H CsJ-CsCsCs 373-493 2.505E+10 0 0 5.31 0 0 0 0 4 Dominguez et al. [164] Data derived from fitting a complex mechanism. -3049 Ct-H_Ct-H CdsJ-H 300-1500 1.255E+05 1.90 0 2.11 0 0 0 0 3 Weissman et al. [121] Transition state theory. -3050 Ct-H_Ct-H CdsJ-H 700-1300 3.155E+11 0 0 4.9 0 0 0 0 3 Duran et al. [165] Ab initio. -3051 Ct-H_Ct-H CtJ 700-1300 5.0E+12 0 0 0 0 0 0 0 3 Duran et al. [165] Ab initio. -3052 Ct-H_Ct-H O_pri_rad 298-1100 6.05E+11 0 0 0.46 *10.0 0 0 0 4 Baulch et al. [95] literature review. -3053 Ct-H_Ct-H O_pri_rad 250-2500 7.60E+07 1.70 0 1.00 0 0 0 0 3 Miller et al. [166] Transition state theory. -3054 Ct-H_Ct-H O_sec_rad 300-1500 5.2E+11 0 0 7.9 0 0 0 0 4 Bozzelli et al. [144] based on CH3 addition to C2H2 (NIST) -//3055 Added by sandeep taken from the study of 1,3-Hexadiene done at CBS-QB3 level -3055 Cds-HH_Cds-HH CdsJ=Cdd 300-1600 149.0295 3.0074 0 10.1708 0 0 0 0 3 Sandeep CBS-QB3 calculations - -// Oxygen - -// Adding rough estimates for ROO + C=O using JWA CBS-QB3 w/o HR calculated numbers for acetone + HOO -3056 CO/H/Nd_O O_rad/NonDeO 300-1600 4.245e-02 3.486 0 22.64 0 0 0 0 5 -3057 CO/Nd2_O O_rad/NonDeO 300-1600 4.245e-02 3.486 0 22.64 0 0 0 0 5 -3058 CO/H2_O O_rad/NonDeO 300-1600 4.245e-02 3.486 0 22.64 0 0 0 0 5 -3059 CO/Nd2_O O_rad/NonDeO 300-1600 4.245e-02 3.486 0 22.64 0 0 0 0 5 - -// Adding rate rules (421-429) for olefin + HO2 radical addition from -// Rate rules, Branching Ratios, and Pressure Dependence of the HO2+Olefin Addition Channels -// http://pubs.acs.org/doi/abs/10.1021/jp405262r -// Using CBS-QB3 w/1D-HR calculations (Table 2) -3060 Cds-HH_Cds-HH O_rad/NonDeO 400-1100 3.56E+1 3.22 0 11.1 0 0 0 0 2 pp, CBS-QB3 calculations, with hindered rotor treatment. -3061 Cds-HH_Cds-CsH O_rad/NonDeO 400-1100 7.91E+2 2.78 0 9.5 0 0 0 0 2 ps, CBS-QB3 calculations, with hindered rotor treatment. -3062 Cds-HH_Cds-CsCs O_rad/NonDeO 400-1100 1.35E+3 2.67 0 7.9 0 0 0 0 2 pt, CBS-QB3 calculations, with hindered rotor treatment. -3063 Cds-CsH_Cds-HH O_rad/NonDeO 400-1100 1.06E+1 3.29 0 9.1 0 0 0 0 2 sp, CBS-QB3 calculations, with hindered rotor treatment. -3064 Cds-CsH_Cds-CsH O_rad/NonDeO 400-1100 4.62E+1 3.09 0 7.2 0 0 0 0 2 ss, CBS-QB3 calculations, with hindered rotor treatment. -3065 Cds-CsH_Cds-CsCs O_rad/NonDeO 400-1100 1.86E+2 2.95 0 5.4 0 0 0 0 2 st, CBS-QB3 calculations, with hindered rotor treatment. -3066 Cds-CsCs_Cds-HH O_rad/NonDeO 400-1100 3.37E-1 3.67 0 7.2 0 0 0 0 2 tp, CBS-QB3 calculations, with hindered rotor treatment. -3067 Cds-CsCs_Cds-CsH O_rad/NonDeO 400-1100 1.72E-1 3.70 0 4.7 0 0 0 0 2 ts, CBS-QB3 calculations, with hindered rotor treatment. -3068 Cds-CsCs_Cds-CsCs O_rad/NonDeO 400-1100 1.69 3.44 0 2.7 0 0 0 0 2 tt, CBS-QB3 calculations, with hindered rotor treatment. - -// These rate coefficients are obtained by reversing the rate coefficients from dx.doi.org/10.1021/jp400155z | J. Phys. Chem. A 2013, 117, 1890-1906 -// Ref Ab Initio Kinetics for the Decomposition of Hydroxybutyl and Butoxy Radicals of n-Butanol,Zhang P.,Klippenstein S.K.,Law C.K. -// The thermochemistry for the species is obtained from Mike's n-butanol paper dx.doi.org/10.1016/j.combustflame.2010.06.002 - -3069 Cds-HH_Cds-CsH O_pri_rad 300-2000 4.15E10 0.68 0 -1.945 0 0 0 0 3 -3070 Cds-HH_Cds-Cs\Os/H CsJ-HHH 300-2000 5.32E5 1.85 0 5.71 0 0 0 0 3 -3071 Cds-HH_Cds-OsH CsJ-CsHH 300-2000 1.071e+03 2.72 0 8.24 0 0 0 0 3 -3072 Cds-HH_Cds-CsH CsJ-OsHH 300-2000 1.381e+06 1.76 0 8.87 0 0 0 0 3 -3073 CO/H2_O CsJ-CsHH 300-2000 1.201e+02 2.8 0 1.79 0 0 0 0 3 -3074 CO/H/Nd_O HJ 300-2000 9.6E9 0.935 0 4.17 0 0 0 0 3 - -// Sulfur - -// Addition reactions involving S atoms -//3075 Cds-CdH_S CsJ-HHH 300-1500 1.00E+00 2.8 0 1.5 0 0 0 0 4 Aaron Vandeputte GAVs -//3076 Cds-CdCd_S CsJ-HHH 300-1500 1.00E+00 2.7 0 2.9 0 0 0 0 4 Aaron Vandeputte GAVs - -3077 Cds-OsH_Sd HJ 300-1500 6.45E+08 1.40 0 2.89 0 0 0 0 3 CAC CBS-QB3 1DHR -3078 Cds-OsH_Sd CsJ-HHH 300-1500 1.72E+05 1.68 0 5.37 0 0 0 0 3 CAC CBS-QB3 1DHR -3079 Cds-OsH_Sd CsJ-CsHH 300-1500 7.74E+02 2.56 0 3.56 0 0 0 0 3 CAC CBS-QB3 1dHR - -3080 C=S_O HJ 300-1500 5.67E+08 1.75 0 8.60 0 0 0 0 3 CAC CBS-QB3 - -//2526 is barrierless! using parameters from 2523. -3081 Sd_Cds-CsH CsJ-CsHH 300-1500 1.69E+02 3.0 0 -1.0 0 0 0 0 4 based on 2523 - -3082 Cds-CsH_Sd HJ 300-1500 1.70E+09 1.36 0 1.1 0 0 0 0 3 CAC calc CBS-QB3 1dhr -3083 Cds-CsH_Sd CsJ-SsCsH 300-1500 3.52E+00 3.09 0 -1.83 0 0 0 0 3 CAC calc CBS-QB3 1dhr -3084 Cds-OsH_Sd HJ 300-1500 6.45E+08 1.40 0 2.89 0 0 0 0 3 CAC calc CBS-QB3 1dhr -3085 Cds-OsH_Sd CsJ-HHH 300-1500 1.72E+05 1.68 0 5.37 0 0 0 0 3 CAC calc CBS-QB3 1dhr -3086 Cds-OsH_Sd CsJ-CsHH 300-1500 7.74E+02 2.56 0 3.56 0 0 0 0 3 CAC calc CBS-QB3 1dhr -//Based on methyl addition to ethanethial -3087 Sd_Cds-CsH CsJ 300-1500 3.91E+06 1.66 0 -0.87 0 0 0 0 4 CAC calc CBS-QB3 1dhr -3088 C=S_O HJ 300-1500 5.67E+08 1.75 0 8.60 0 0 0 0 3 CAC calc CBS-QB3 1dhr -3089 C=S_O CsJ 300-1500 6.03E+05 1.83 0 11.84 0 0 0 0 3 CAC calc CBS-QB3 1dhr -3090 Cds-CsH_Sd CsJ-CsHH 300-1500 1.80E+03 2.47 0 0.61 0 0 0 0 3 CAC calc CBS-QB3 1dhr -3091 Cds-CsH_Sd CsJ-CsCsH 300-1500 1.79E+01 2.90 0 -1.43 0 0 0 0 3 CAC calc CBS-QB3 1dhr -3092 Cds-CsH_Sd SsJ-H 300-700 1.18E+13 0.0 0 -1.36 0 0 0 0 4 AA calcs -3093 Cds-CsH_Sd SsJ-H 701-1500 2.46E+14 0.0 0 2.93 0 0 0 0 4 AA calcs -3094 Cds-SsH_Sd CsJ-CsCsH 300-1500 1.95E+11 0.0 0 4.20 0 0 0 0 4 AA calcs -3095 Cds-SsCs_Sd HJ 300-1500 1.62E+13 0.0 0 4.97 0 0 0 0 4 AA calcs -3096 Cdd-Sd_Sd HJ 300-1500 3.87E+08 1.89 0 7.72 0 0 0 0 3 CAC calc CBS-QB3 1dhr -3097 Cdd-Sd_Sd CsJ-CsHH 300-1500 3.59E+02 2.94 0 8.96 0 0 0 0 3 CAC calc CBS-QB3 1dhr -3098 Sd_Cds-OsCs HJ 300-2000 5.54E+08 1.24 0 -0.35 0 0 0 0 3 CAC calc CBS-QB3 1dhr -3099 Cds-OsH_Cds-CsH SsJ-H 300-2000 2.10E+04 2.39 0 -5.00 0 0 0 0 3 CAC calc CBS-QB3 1dhr - -// SSM calculations for propene+OH surface CBS-QB3 level , with 1d-HR -3119 Cds-HH_Cds-Cs\H3/H O_pri_rad 300-2000 2.31E+6 1.76 0 -2.45 0 0 0 0 3 SSM calc CBS-QB3 1dhr -3120 Cds-OsH_Cds-CsH HJ 300-2000 2.182e+10 0.859 0 1.618 0 0 0 0 3 SSM calc CBS-QB3 1dhr -3121 Cds-HH_Cds-CsH HJ 300-2000 5.014e+08 1.733 0 0.76 0 0 0 0 3 SSM calc CBS-QB3 1dhr -3122 Cds-HH_Cds-Cs\Os/H HJ 300-2000 5.014e+08 1.733 0 0.76 0 0 0 0 3 SSM calc CBS-QB3 1dhr -3123 Cds-CsH_Cds-OsH HJ 300-2000 3.720e+08 1.477 0 1.61 0 0 0 0 3 SSM calc CBS-QB3 1dhr -3124 Cds-HH_Cds-OsH CsJ-HHH 300-2000 4.167e+04 2.299 0 6.83 0 0 0 0 3 SSM calc CBS-QB3 1dhr -3125 Od_Cd HJ 300-2000 3.867e+05 2.941 0 8.52 0 0 0 0 5 SSM calc CBS-QB3 1dhr, gave parent same value as one of the children -3126 Od_Cd-CsH HJ 300-2000 3.867e+05 2.941 0 8.52 0 0 0 0 3 SSM calc CBS-QB3 1dhr -3127 Cds-HH_Cds-HH CsJ-OsHH 300-2000 2.55e+03 2.562 0 5.04 0 0 0 0 3 SSM calc CBS-QB3 1dhr -3128 Cds-Cs\Os/H_Cds-HH HJ 300-2000 1.730e+08 1.583 0 1.81 0 0 0 0 3 SSM calc CBS-QB3 1dhr -3129 CO/H2_O CsJ-CsHH 300-2000 3.4E-03 2.48 0 2.7 0 0 0 0 3 SSM calc CBS-QB3 1dhr -3130 CO/H/Cs HJ 300-2000 8.0E+00 2.41 0 4.5 0 0 0 0 3 SSM calc CBS-QB3 1dhr - -3131 CO/H2_O HJ 300-2000 8.1E+11 0.37 0 5.19 0 0 0 0 3 High-P Limit from EFRC Mechanism - -// Pyrolysis reactions, calculated using BMK/cbsb7 -// AG Vandeputte, I feel that these reactions might be redundant with data in the combustion core -3100 Cds-HH_Cds-HH O_atom_triplet 300-1500 4.42E+07 1.55 0 -0.7 0 0 0 0 4 AG Vandeputte, BMK/cbsb7 -3101 Cds-CsH_Cds-HH O_atom_triplet 300-1500 4.17E+07 1.64 0 -1.4 0 0 0 0 4 AG Vandeputte, BMK/cbsb7 -3102 Cds-HH_Cds-CsH O_atom_triplet 300-1500 1.06E+08 1.58 0 -2.0 0 0 0 0 4 AG Vandeputte, BMK/cbsb7 - -3103 Cds-HH_Cds-HH O2b 300-1500 1.11E+02 2.90 0 31.6 0 0 0 0 4 AG Vandeputte, BMK/cbsb7 -3104 Cds-CsH_Cds-HH O2b 300-1500 4.42E+01 3.08 0 30.2 0 0 0 0 4 AG Vandeputte, BMK/cbsb7 -3105 Cds-HH_Cds-CsH O2b 300-1500 2.76E+02 2.78 0 29.8 0 0 0 0 4 AG Vandeputte, BMK/cbsb7 -3106 Cds-HH_Cds-CdH O2b 300-1500 1.30E+02 3.01 0 23.6 0 0 0 0 4 AG Vandeputte, BMK/cbsb7 - -3107 Cds-OJH_Cds-HH HJ 300-1500 6.50E+06 1.86 0 6.6 0 0 0 0 4 AG Vandeputte, BMK/cbsb7 -3108 Cds-OJH_Cds-CsH HJ 300-1500 1.08E+07 1.84 0 7.4 0 0 0 0 4 AG Vandeputte, BMK/cbsb7 -3109 Cds-OJH_Cds-HH CsJ-HHH 300-1500 3.35E+02 2.68 0 9.6 0 0 0 0 4 AG Vandeputte, BMK/cbsb7 - -//Dissociation of propyl radicals and other reactions on a C3H7 potential. -// Miller JA, Klippenstein SJ. -// doi: 10.1021/jp312712p. -3113 Cds-HH_Cds-Cs\H3/H HJ 300-2000 1.84E+09 1.553 0 1.57 0 0 0 0 2 CCSD(T)/cc-pVTZ -3114 Cds-CsH_Cds-HH HJ 300-2000 1.17e+08 1.68 0 2.03 0 0 0 0 2 CCSD(T)/cc-pVTZ -// SSM Estimate -3115 Cds-HH_Cds-Cs\H3/H CsJ-OsHH 300-2000 2.55e+03 2.562 0 5.04 0 0 0 0 5 same as 3108 - -// Calculated by Enoch Dames -3116 Cds-HH_Cds-OsH HJ 300-2000 6.67E+12 0.1 0 1.544 0 0 0 0 2 ED calc RQCISD(T)/aug-cc-pVTZ with 1dHR -3117 CO/H2_O CsJ-HHH 300-2000 2.16E+2 2.97 0 3.8 0 0 0 0 2 ED calc RQCISD(T)/aug-cc-pVTZ with 1dHR -3118 Od_Cd-CsH HJ 300-2000 4E+9 1.39 0 8.577 0 0 0 0 2 ED calc RQCISD(T)/aug-cc-pVTZ with 1dHR - - diff --git a/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/reactionAdjList.txt b/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/reactionAdjList.txt deleted file mode 100644 index e2dfbce705..0000000000 --- a/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/reactionAdjList.txt +++ /dev/null @@ -1,22 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 31, 2003 // -// // -////////////////////////////////////////////////////// - - -// f02 radical addition to a double/triple bond - -R_R + YJ -> RJ_R_Y - -forward -reverse(f03): Beta_Scission - -Actions 1 -(1) CHANGE_BOND {*1,-1,*2} -(2) FORM_BOND {*1,S,*3} -(2) GAIN_RADICAL {*2,1} -(3) LOSE_RADICAL {*3,1} - diff --git a/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/tree.txt b/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/tree.txt deleted file mode 100644 index 80f05cf7c2..0000000000 --- a/output/RMG_database/kinetics_groups/R_Addition_MultipleBond/tree.txt +++ /dev/null @@ -1,1089 +0,0 @@ -// tree for f02: Radical Addition to Multiple Bond - -// SR, Jan. 30, 2003 -// CDW : since having both Cd/H/H and Cd/H2, Cd/Nd/Nd and Cd/Nd2, Cd/De/De and Cd/De2 at the same time -// are confusing, made them uniform as Cd/H2, Cd/Nd2, and Cd/De2. 03/25/03 -// AG Vandeputte, tree completely redesigned -// Legend: -// X_Y : double bond between X and Y -// X-R1R2_Y-R3R4 : R1 and R2 ligands of X, R3 and R4 ligands of Y -// I also updated the definitions to account for beta scissions in birads -// X*-Y(A)-Z* -> X=Y-Z* + A* -// Cd-OJH_Cd-HH : addition to double bond next to radical site -// I did not account for the following type of groups -// Cd-HH_Cd-OJH -// as I feel this is rather a recombination reaction - -// f02_radical_addition_to_multiple_bond - -L1: R_R - L2: Cd_R - L3: Cds_Cds - L4: Cds-HH_Cds - L5: Cds-HH_Cds-HH - L5: Cds-HH_Cds-CsH - L6: Cds-HH_Cds-Cs\H3/H - L6: Cds-HH_Cds-Cs\Os/H - L5: Cds-HH_Cds-CsCs - L5: Cds-HH_Cds-OsH - L5: Cds-HH_Cds-OsCs - L5: Cds-HH_Cds-OsOs - L5: Cds-HH_Cds-SsH - L5: Cds-HH_Cds-SsCs - L5: Cds-HH_Cds-SsOs - L5: Cds-HH_Cds-SsSs - L5: Cds-HH_Cds-OneDe - L6: Cds-HH_Cds-OneDeH - L7: Cds-HH_Cds-CdH - L7: Cds-HH_Cds-CtH - L7: Cds-HH_Cds-CbH - L7: Cds-HH_Cds-COH - L7: Cds-HH_Cds-C=SH - L6: Cds-HH_Cds-OneDeCs - L7: Cds-HH_Cds-CdCs - L7: Cds-HH_Cds-CtCs - L7: Cds-HH_Cds-CbCs - L7: Cds-HH_Cds-COCs - L7: Cds-HH_Cds-C=SCs - L6: Cds-HH_Cds-OneDeOs - L7: Cds-HH_Cds-CdOs - L7: Cds-HH_Cds-CtOs - L7: Cds-HH_Cds-CbOs - L7: Cds-HH_Cds-COOs - L7: Cds-HH_Cds-C=SOs - L6: Cds-HH_Cds-OneDeSs - L7: Cds-HH_Cds-CdSs - L7: Cds-HH_Cds-CtSs - L7: Cds-HH_Cds-CbSs - L7: Cds-HH_Cds-COSs - L7: Cds-HH_Cds-C=SSs - L5: Cds-HH_Cds-TwoDe - L6: Cds-HH_Cds-CdCd - L6: Cds-HH_Cds-CdCt - L6: Cds-HH_Cds-CdCb - L6: Cds-HH_Cds-CdCO - L6: Cds-HH_Cds-CdC=S - L6: Cds-HH_Cds-CtCt - L6: Cds-HH_Cds-CtCb - L6: Cds-HH_Cds-CtCO - L6: Cds-HH_Cds-CtC=S - L6: Cds-HH_Cds-CbCb - L6: Cds-HH_Cds-CbCO - L6: Cds-HH_Cds-CbC=S - L6: Cds-HH_Cds-COCO - L6: Cds-HH_Cds-COC=S - L6: Cds-HH_Cds-C=SC=S - L4: Cds-CsH_Cds - L5: Cds-CsH_Cds-HH - L6: Cds-Cs\Os/H_Cds-HH - L5: Cds-CsH_Cds-CsH - L5: Cds-CsH_Cds-CsCs - L5: Cds-CsH_Cds-OsH - L5: Cds-CsH_Cds-OsCs - L5: Cds-CsH_Cds-OsOs - L5: Cds-CsH_Cds-SsH - L5: Cds-CsH_Cds-SsCs - L5: Cds-CsH_Cds-SsOs - L5: Cds-CsH_Cds-SsSs - L5: Cds-CsH_Cds-OneDe - L6: Cds-CsH_Cds-OneDeH - L7: Cds-CsH_Cds-CdH - L7: Cds-CsH_Cds-CtH - L7: Cds-CsH_Cds-CbH - L7: Cds-CsH_Cds-COH - L7: Cds-CsH_Cds-C=SH - L6: Cds-CsH_Cds-OneDeCs - L7: Cds-CsH_Cds-CdCs - L7: Cds-CsH_Cds-CtCs - L7: Cds-CsH_Cds-CbCs - L7: Cds-CsH_Cds-COCs - L7: Cds-CsH_Cds-C=SCs - L6: Cds-CsH_Cds-OneDeOs - L7: Cds-CsH_Cds-CdOs - L7: Cds-CsH_Cds-CtOs - L7: Cds-CsH_Cds-CbOs - L7: Cds-CsH_Cds-COOs - L7: Cds-CsH_Cds-C=SOs - L6: Cds-CsH_Cds-OneDeSs - L7: Cds-CsH_Cds-CdSs - L7: Cds-CsH_Cds-CtSs - L7: Cds-CsH_Cds-CbSs - L7: Cds-CsH_Cds-COSs - L7: Cds-CsH_Cds-C=SSs - L5: Cds-CsH_Cds-TwoDe - L6: Cds-CsH_Cds-CdCd - L6: Cds-CsH_Cds-CdCt - L6: Cds-CsH_Cds-CdCb - L6: Cds-CsH_Cds-CdCO - L6: Cds-CsH_Cds-CdC=S - L6: Cds-CsH_Cds-CtCt - L6: Cds-CsH_Cds-CtCb - L6: Cds-CsH_Cds-CtCO - L6: Cds-CsH_Cds-CtC=S - L6: Cds-CsH_Cds-CbCb - L6: Cds-CsH_Cds-CbCO - L6: Cds-CsH_Cds-CbC=S - L6: Cds-CsH_Cds-COCO - L6: Cds-CsH_Cds-COC=S - L6: Cds-CsH_Cds-C=SC=S - L4: Cds-CsCs_Cds - L5: Cds-CsCs_Cds-HH - L5: Cds-CsCs_Cds-CsH - L5: Cds-CsCs_Cds-CsCs - L5: Cds-CsCs_Cds-OsH - L5: Cds-CsCs_Cds-OsCs - L5: Cds-CsCs_Cds-OsOs - L5: Cds-CsCs_Cds-SsH - L5: Cds-CsCs_Cds-SsCs - L5: Cds-CsCs_Cds-SsOs - L5: Cds-CsCs_Cds-SsSs - L5: Cds-CsCs_Cds-OneDe - L6: Cds-CsCs_Cds-OneDeH - L7: Cds-CsCs_Cds-CdH - L7: Cds-CsCs_Cds-CtH - L7: Cds-CsCs_Cds-CbH - L7: Cds-CsCs_Cds-COH - L7: Cds-CsCs_Cds-C=SH - L6: Cds-CsCs_Cds-OneDeCs - L7: Cds-CsCs_Cds-CdCs - L7: Cds-CsCs_Cds-CtCs - L7: Cds-CsCs_Cds-CbCs - L7: Cds-CsCs_Cds-COCs - L7: Cds-CsCs_Cds-C=SCs - L6: Cds-CsCs_Cds-OneDeOs - L7: Cds-CsCs_Cds-CdOs - L7: Cds-CsCs_Cds-CtOs - L7: Cds-CsCs_Cds-CbOs - L7: Cds-CsCs_Cds-COOs - L7: Cds-CsCs_Cds-C=SOs - L6: Cds-CsCs_Cds-OneDeSs - L7: Cds-CsCs_Cds-CdSs - L7: Cds-CsCs_Cds-CtSs - L7: Cds-CsCs_Cds-CbSs - L7: Cds-CsCs_Cds-COSs - L7: Cds-CsCs_Cds-C=SSs - L5: Cds-CsCs_Cds-TwoDe - L6: Cds-CsCs_Cds-CdCd - L6: Cds-CsCs_Cds-CdCt - L6: Cds-CsCs_Cds-CdCb - L6: Cds-CsCs_Cds-CdCO - L6: Cds-CsCs_Cds-CdC=S - L6: Cds-CsCs_Cds-CtCt - L6: Cds-CsCs_Cds-CtCb - L6: Cds-CsCs_Cds-CtCO - L6: Cds-CsCs_Cds-CtC=S - L6: Cds-CsCs_Cds-CbCb - L6: Cds-CsCs_Cds-CbCO - L6: Cds-CsCs_Cds-CbC=S - L6: Cds-CsCs_Cds-COCO - L6: Cds-CsCs_Cds-COC=S - L6: Cds-CsCs_Cds-C=SC=S - L4: Cds-SsH_Cds - L4: Cds-SsCs_Cds - L4: Cds-SsSs_Cds - L4: Cds-OsH_Cds - L5: Cds-OsH_Cds-CsH - L4: Cds-OsCs_Cds - L4: Cds-OsOs_Cds - L4: Cds-OsSs_Cds - L4: Cds-OneDe_Cds - L5: Cds-OneDeH_Cds - L6: Cds-CdH_Cds - L7: Cds-CdH_Cds-HH - L7: Cds-CdH_Cds-CsH - L7: Cds-CdH_Cds-CsCs - L7: Cds-CdH_Cds-OsH - L7: Cds-CdH_Cds-OsCs - L7: Cds-CdH_Cds-OsOs - L7: Cds-CdH_Cds-SsH - L7: Cds-CdH_Cds-SsCs - L7: Cds-CdH_Cds-SsOs - L7: Cds-CdH_Cds-SsSs - L7: Cds-CdH_Cds-OneDe - L8: Cds-CdH_Cds-OneDeH - L9: Cds-CdH_Cds-CdH - L9: Cds-CdH_Cds-CtH - L9: Cds-CdH_Cds-CbH - L9: Cds-CdH_Cds-COH - L9: Cds-CdH_Cds-C=SH - L8: Cds-CdH_Cds-OneDeCs - L9: Cds-CdH_Cds-CdCs - L9: Cds-CdH_Cds-CtCs - L9: Cds-CdH_Cds-CbCs - L9: Cds-CdH_Cds-COCs - L9: Cds-CdH_Cds-C=SCs - L8: Cds-CdH_Cds-OneDeOs - L9: Cds-CdH_Cds-CdOs - L9: Cds-CdH_Cds-CtOs - L9: Cds-CdH_Cds-CbOs - L9: Cds-CdH_Cds-COOs - L9: Cds-CdH_Cds-C=SOs - L8: Cds-CdH_Cds-OneDeSs - L9: Cds-CdH_Cds-CdSs - L9: Cds-CdH_Cds-CtSs - L9: Cds-CdH_Cds-CbSs - L9: Cds-CdH_Cds-COSs - L9: Cds-CdH_Cds-C=SSs - L7: Cds-CdH_Cds-TwoDe - L8: Cds-CdH_Cds-CdCd - L8: Cds-CdH_Cds-CdCt - L8: Cds-CdH_Cds-CdCb - L8: Cds-CdH_Cds-CdCO - L8: Cds-CdH_Cds-CdC=S - L8: Cds-CdH_Cds-CtCt - L8: Cds-CdH_Cds-CtCb - L8: Cds-CdH_Cds-CtCO - L8: Cds-CdH_Cds-CtC=S - L8: Cds-CdH_Cds-CbCb - L8: Cds-CdH_Cds-CbCO - L8: Cds-CdH_Cds-CbC=S - L8: Cds-CdH_Cds-COCO - L8: Cds-CdH_Cds-COC=S - L8: Cds-CdH_Cds-C=SC=S - L6: Cds-CtH_Cds - L7: Cds-CtH_Cds-HH - L7: Cds-CtH_Cds-CsH - L7: Cds-CtH_Cds-CsCs - L7: Cds-CtH_Cds-OsH - L7: Cds-CtH_Cds-OsCs - L7: Cds-CtH_Cds-OsOs - L7: Cds-CtH_Cds-SsH - L7: Cds-CtH_Cds-SsCs - L7: Cds-CtH_Cds-SsOs - L7: Cds-CtH_Cds-SsSs - L7: Cds-CtH_Cds-OneDe - L8: Cds-CtH_Cds-OneDeH - L9: Cds-CtH_Cds-CdH - L9: Cds-CtH_Cds-CtH - L9: Cds-CtH_Cds-CbH - L9: Cds-CtH_Cds-COH - L9: Cds-CtH_Cds-C=SH - L8: Cds-CtH_Cds-OneDeCs - L9: Cds-CtH_Cds-CdCs - L9: Cds-CtH_Cds-CtCs - L9: Cds-CtH_Cds-CbCs - L9: Cds-CtH_Cds-COCs - L9: Cds-CtH_Cds-C=SCs - L8: Cds-CtH_Cds-OneDeOs - L9: Cds-CtH_Cds-CdOs - L9: Cds-CtH_Cds-CtOs - L9: Cds-CtH_Cds-CbOs - L9: Cds-CtH_Cds-COOs - L9: Cds-CtH_Cds-C=SOs - L8: Cds-CtH_Cds-OneDeSs - L9: Cds-CtH_Cds-CdSs - L9: Cds-CtH_Cds-CtSs - L9: Cds-CtH_Cds-CbSs - L9: Cds-CtH_Cds-COSs - L9: Cds-CtH_Cds-C=SSs - L7: Cds-CtH_Cds-TwoDe - L8: Cds-CtH_Cds-CdCd - L8: Cds-CtH_Cds-CdCt - L8: Cds-CtH_Cds-CdCb - L8: Cds-CtH_Cds-CdCO - L8: Cds-CtH_Cds-CdC=S - L8: Cds-CtH_Cds-CtCt - L8: Cds-CtH_Cds-CtCb - L8: Cds-CtH_Cds-CtCO - L8: Cds-CtH_Cds-CtC=S - L8: Cds-CtH_Cds-CbCb - L8: Cds-CtH_Cds-CbCO - L8: Cds-CtH_Cds-CbC=S - L8: Cds-CtH_Cds-COCO - L8: Cds-CtH_Cds-COC=S - L8: Cds-CtH_Cds-C=SC=S - L6: Cds-CbH_Cds - L7: Cds-CbH_Cds-HH - L7: Cds-CbH_Cds-CsH - L7: Cds-CbH_Cds-CsCs - L7: Cds-CbH_Cds-OsH - L7: Cds-CbH_Cds-OsCs - L7: Cds-CbH_Cds-OsOs - L7: Cds-CbH_Cds-SsH - L7: Cds-CbH_Cds-SsCs - L7: Cds-CbH_Cds-SsOs - L7: Cds-CbH_Cds-SsSs - L7: Cds-CbH_Cds-OneDe - L8: Cds-CbH_Cds-OneDeH - L9: Cds-CbH_Cds-CdH - L9: Cds-CbH_Cds-CtH - L9: Cds-CbH_Cds-CbH - L9: Cds-CbH_Cds-COH - L9: Cds-CbH_Cds-C=SH - L8: Cds-CbH_Cds-OneDeCs - L9: Cds-CbH_Cds-CdCs - L9: Cds-CbH_Cds-CtCs - L9: Cds-CbH_Cds-CbCs - L9: Cds-CbH_Cds-COCs - L9: Cds-CbH_Cds-C=SCs - L8: Cds-CbH_Cds-OneDeOs - L9: Cds-CbH_Cds-CdOs - L9: Cds-CbH_Cds-CtOs - L9: Cds-CbH_Cds-CbOs - L9: Cds-CbH_Cds-COOs - L9: Cds-CbH_Cds-C=SOs - L8: Cds-CbH_Cds-OneDeSs - L9: Cds-CbH_Cds-CdSs - L9: Cds-CbH_Cds-CtSs - L9: Cds-CbH_Cds-CbSs - L9: Cds-CbH_Cds-COSs - L9: Cds-CbH_Cds-C=SSs - L7: Cds-CbH_Cds-TwoDe - L8: Cds-CbH_Cds-CdCd - L8: Cds-CbH_Cds-CdCt - L8: Cds-CbH_Cds-CdCb - L8: Cds-CbH_Cds-CdCO - L8: Cds-CbH_Cds-CdC=S - L8: Cds-CbH_Cds-CtCt - L8: Cds-CbH_Cds-CtCb - L8: Cds-CbH_Cds-CtCO - L8: Cds-CbH_Cds-CtC=S - L8: Cds-CbH_Cds-CbCb - L8: Cds-CbH_Cds-CbCO - L8: Cds-CbH_Cds-CbC=S - L8: Cds-CbH_Cds-COCO - L8: Cds-CbH_Cds-COC=S - L8: Cds-CbH_Cds-C=SC=S - L6: Cds-COH_Cds - L6: Cds-C=SH_Cds - L5: Cds-OneDeCs_Cds - L6: Cds-CdCs_Cds - L7: Cds-CdCs_Cds-HH - L7: Cds-CdCs_Cds-CsH - L7: Cds-CdCs_Cds-CsCs - L7: Cds-CdCs_Cds-OsH - L7: Cds-CdCs_Cds-OsCs - L7: Cds-CdCs_Cds-OsOs - L7: Cds-CdCs_Cds-SsH - L7: Cds-CdCs_Cds-SsCs - L7: Cds-CdCs_Cds-SsOs - L7: Cds-CdCs_Cds-SsSs - L7: Cds-CdCs_Cds-OneDe - L8: Cds-CdCs_Cds-OneDeH - L9: Cds-CdCs_Cds-CdH - L9: Cds-CdCs_Cds-CtH - L9: Cds-CdCs_Cds-CbH - L9: Cds-CdCs_Cds-COH - L9: Cds-CdCs_Cds-C=SH - L8: Cds-CdCs_Cds-OneDeCs - L9: Cds-CdCs_Cds-CdCs - L9: Cds-CdCs_Cds-CtCs - L9: Cds-CdCs_Cds-CbCs - L9: Cds-CdCs_Cds-COCs - L9: Cds-CdCs_Cds-C=SCs - L8: Cds-CdCs_Cds-OneDeOs - L9: Cds-CdCs_Cds-CdOs - L9: Cds-CdCs_Cds-CtOs - L9: Cds-CdCs_Cds-CbOs - L9: Cds-CdCs_Cds-COOs - L9: Cds-CdCs_Cds-C=SOs - L8: Cds-CdCs_Cds-OneDeSs - L9: Cds-CdCs_Cds-CdSs - L9: Cds-CdCs_Cds-CtSs - L9: Cds-CdCs_Cds-CbSs - L9: Cds-CdCs_Cds-COSs - L9: Cds-CdCs_Cds-C=SSs - L7: Cds-CdCs_Cds-TwoDe - L8: Cds-CdCs_Cds-CdCd - L8: Cds-CdCs_Cds-CdCt - L8: Cds-CdCs_Cds-CdCb - L8: Cds-CdCs_Cds-CdCO - L8: Cds-CdCs_Cds-CdC=S - L8: Cds-CdCs_Cds-CtCt - L8: Cds-CdCs_Cds-CtCb - L8: Cds-CdCs_Cds-CtCO - L8: Cds-CdCs_Cds-CtC=S - L8: Cds-CdCs_Cds-CbCb - L8: Cds-CdCs_Cds-CbCO - L8: Cds-CdCs_Cds-CbC=S - L8: Cds-CdCs_Cds-COCO - L8: Cds-CdCs_Cds-COC=S - L8: Cds-CdCs_Cds-C=SC=S - L6: Cds-CtCs_Cds - L7: Cds-CtCs_Cds-HH - L7: Cds-CtCs_Cds-CsH - L7: Cds-CtCs_Cds-CsCs - L7: Cds-CtCs_Cds-OsH - L7: Cds-CtCs_Cds-OsCs - L7: Cds-CtCs_Cds-OsOs - L7: Cds-CtCs_Cds-SsH - L7: Cds-CtCs_Cds-SsCs - L7: Cds-CtCs_Cds-SsOs - L7: Cds-CtCs_Cds-SsSs - L7: Cds-CtCs_Cds-OneDe - L8: Cds-CtCs_Cds-OneDeH - L9: Cds-CtCs_Cds-CdH - L9: Cds-CtCs_Cds-CtH - L9: Cds-CtCs_Cds-CbH - L9: Cds-CtCs_Cds-COH - L9: Cds-CtCs_Cds-C=SH - L8: Cds-CtCs_Cds-OneDeCs - L9: Cds-CtCs_Cds-CdCs - L9: Cds-CtCs_Cds-CtCs - L9: Cds-CtCs_Cds-CbCs - L9: Cds-CtCs_Cds-COCs - L9: Cds-CtCs_Cds-C=SCs - L8: Cds-CtCs_Cds-OneDeOs - L9: Cds-CtCs_Cds-CdOs - L9: Cds-CtCs_Cds-CtOs - L9: Cds-CtCs_Cds-CbOs - L9: Cds-CtCs_Cds-COOs - L9: Cds-CtCs_Cds-C=SOs - L8: Cds-CtCs_Cds-OneDeSs - L9: Cds-CtCs_Cds-CdSs - L9: Cds-CtCs_Cds-CtSs - L9: Cds-CtCs_Cds-CbSs - L9: Cds-CtCs_Cds-COSs - L9: Cds-CtCs_Cds-C=SSs - L7: Cds-CtCs_Cds-TwoDe - L8: Cds-CtCs_Cds-CdCd - L8: Cds-CtCs_Cds-CdCt - L8: Cds-CtCs_Cds-CdCb - L8: Cds-CtCs_Cds-CdCO - L8: Cds-CtCs_Cds-CdC=S - L8: Cds-CtCs_Cds-CtCt - L8: Cds-CtCs_Cds-CtCb - L8: Cds-CtCs_Cds-CtCO - L8: Cds-CtCs_Cds-CtC=S - L8: Cds-CtCs_Cds-CbCb - L8: Cds-CtCs_Cds-CbCO - L8: Cds-CtCs_Cds-CbC=S - L8: Cds-CtCs_Cds-COCO - L8: Cds-CtCs_Cds-COC=S - L8: Cds-CtCs_Cds-C=SC=S - L6: Cds-CbCs_Cds - L7: Cds-CbCs_Cds-HH - L7: Cds-CbCs_Cds-CsH - L7: Cds-CbCs_Cds-CsCs - L7: Cds-CbCs_Cds-OsH - L7: Cds-CbCs_Cds-OsCs - L7: Cds-CbCs_Cds-OsOs - L7: Cds-CbCs_Cds-SsH - L7: Cds-CbCs_Cds-SsCs - L7: Cds-CbCs_Cds-SsOs - L7: Cds-CbCs_Cds-SsSs - L7: Cds-CbCs_Cds-OneDe - L8: Cds-CbCs_Cds-OneDeH - L9: Cds-CbCs_Cds-CdH - L9: Cds-CbCs_Cds-CtH - L9: Cds-CbCs_Cds-CbH - L9: Cds-CbCs_Cds-COH - L9: Cds-CbCs_Cds-C=SH - L8: Cds-CbCs_Cds-OneDeCs - L9: Cds-CbCs_Cds-CdCs - L9: Cds-CbCs_Cds-CtCs - L9: Cds-CbCs_Cds-CbCs - L9: Cds-CbCs_Cds-COCs - L9: Cds-CbCs_Cds-C=SCs - L8: Cds-CbCs_Cds-OneDeOs - L9: Cds-CbCs_Cds-CdOs - L9: Cds-CbCs_Cds-CtOs - L9: Cds-CbCs_Cds-CbOs - L9: Cds-CbCs_Cds-COOs - L9: Cds-CbCs_Cds-C=SOs - L8: Cds-CbCs_Cds-OneDeSs - L9: Cds-CbCs_Cds-CdSs - L9: Cds-CbCs_Cds-CtSs - L9: Cds-CbCs_Cds-CbSs - L9: Cds-CbCs_Cds-COSs - L9: Cds-CbCs_Cds-C=SSs - L7: Cds-CbCs_Cds-TwoDe - L8: Cds-CbCs_Cds-CdCd - L8: Cds-CbCs_Cds-CdCt - L8: Cds-CbCs_Cds-CdCb - L8: Cds-CbCs_Cds-CdCO - L8: Cds-CbCs_Cds-CdC=S - L8: Cds-CbCs_Cds-CtCt - L8: Cds-CbCs_Cds-CtCb - L8: Cds-CbCs_Cds-CtCO - L8: Cds-CbCs_Cds-CtC=S - L8: Cds-CbCs_Cds-CbCb - L8: Cds-CbCs_Cds-CbCO - L8: Cds-CbCs_Cds-CbC=S - L8: Cds-CbCs_Cds-COCO - L8: Cds-CbCs_Cds-COC=S - L8: Cds-CbCs_Cds-C=SC=S - L6: Cds-COCs_Cds - L6: Cds-C=SCs_Cds - L5: Cds-OneDeSs_Cds - L6: Cds-CdSs_Cds - L6: Cds-CtSs_Cds - L6: Cds-CbSs_Cds - L6: Cds-COSs_Cds - L6: Cds-C=SSs_Cds - L5: Cds-OneDeOs_Cds - L6: Cds-CdOs_Cds - L6: Cds-CtOs_Cds - L6: Cds-CbOs_Cds - L6: Cds-COOs_Cds - L6: Cds-C=SOs_Cds - L4: Cds-TwoDe_Cds - L5: Cds-CdCd_Cds - L6: Cds-CdCd_Cds-HH - L6: Cds-CdCd_Cds-CsH - L6: Cds-CdCd_Cds-CsCs - L6: Cds-CdCd_Cds-OsH - L6: Cds-CdCd_Cds-OsCs - L6: Cds-CdCd_Cds-OsOs - L6: Cds-CdCd_Cds-SsH - L6: Cds-CdCd_Cds-SsCs - L6: Cds-CdCd_Cds-SsOs - L6: Cds-CdCd_Cds-SsSs - L6: Cds-CdCd_Cds-OneDe - L7: Cds-CdCd_Cds-OneDeH - L8: Cds-CdCd_Cds-CdH - L8: Cds-CdCd_Cds-CtH - L8: Cds-CdCd_Cds-CbH - L8: Cds-CdCd_Cds-COH - L8: Cds-CdCd_Cds-C=SH - L7: Cds-CdCd_Cds-OneDeCs - L8: Cds-CdCd_Cds-CdCs - L8: Cds-CdCd_Cds-CtCs - L8: Cds-CdCd_Cds-CbCs - L8: Cds-CdCd_Cds-COCs - L8: Cds-CdCd_Cds-C=SCs - L7: Cds-CdCd_Cds-OneDeOs - L8: Cds-CdCd_Cds-CdOs - L8: Cds-CdCd_Cds-CtOs - L8: Cds-CdCd_Cds-CbOs - L8: Cds-CdCd_Cds-COOs - L8: Cds-CdCd_Cds-C=SOs - L7: Cds-CdCd_Cds-OneDeSs - L8: Cds-CdCd_Cds-CdSs - L8: Cds-CdCd_Cds-CtSs - L8: Cds-CdCd_Cds-CbSs - L8: Cds-CdCd_Cds-COSs - L8: Cds-CdCd_Cds-C=SSs - L6: Cds-CdCd_Cds-TwoDe - L7: Cds-CdCd_Cds-CdCd - L7: Cds-CdCd_Cds-CdCt - L7: Cds-CdCd_Cds-CdCb - L7: Cds-CdCd_Cds-CdCO - L7: Cds-CdCd_Cds-CdC=S - L7: Cds-CdCd_Cds-CtCt - L7: Cds-CdCd_Cds-CtCb - L7: Cds-CdCd_Cds-CtCO - L7: Cds-CdCd_Cds-CtC=S - L7: Cds-CdCd_Cds-CbCb - L7: Cds-CdCd_Cds-CbCO - L7: Cds-CdCd_Cds-CbC=S - L7: Cds-CdCd_Cds-COCO - L7: Cds-CdCd_Cds-COC=S - L7: Cds-CdCd_Cds-C=SC=S - L5: Cds-CdCt_Cds - L6: Cds-CdCt_Cds-HH - L6: Cds-CdCt_Cds-CsH - L6: Cds-CdCt_Cds-CsCs - L6: Cds-CdCt_Cds-OsH - L6: Cds-CdCt_Cds-OsCs - L6: Cds-CdCt_Cds-OsOs - L6: Cds-CdCt_Cds-SsH - L6: Cds-CdCt_Cds-SsCs - L6: Cds-CdCt_Cds-SsOs - L6: Cds-CdCt_Cds-SsSs - L6: Cds-CdCt_Cds-OneDe - L7: Cds-CdCt_Cds-OneDeH - L8: Cds-CdCt_Cds-CdH - L8: Cds-CdCt_Cds-CtH - L8: Cds-CdCt_Cds-CbH - L8: Cds-CdCt_Cds-COH - L8: Cds-CdCt_Cds-C=SH - L7: Cds-CdCt_Cds-OneDeCs - L8: Cds-CdCt_Cds-CdCs - L8: Cds-CdCt_Cds-CtCs - L8: Cds-CdCt_Cds-CbCs - L8: Cds-CdCt_Cds-COCs - L8: Cds-CdCt_Cds-C=SCs - L7: Cds-CdCt_Cds-OneDeOs - L8: Cds-CdCt_Cds-CdOs - L8: Cds-CdCt_Cds-CtOs - L8: Cds-CdCt_Cds-CbOs - L8: Cds-CdCt_Cds-COOs - L8: Cds-CdCt_Cds-C=SOs - L7: Cds-CdCt_Cds-OneDeSs - L8: Cds-CdCt_Cds-CdSs - L8: Cds-CdCt_Cds-CtSs - L8: Cds-CdCt_Cds-CbSs - L8: Cds-CdCt_Cds-COSs - L8: Cds-CdCt_Cds-C=SSs - L6: Cds-CdCt_Cds-TwoDe - L7: Cds-CdCt_Cds-CdCd - L7: Cds-CdCt_Cds-CdCt - L7: Cds-CdCt_Cds-CdCb - L7: Cds-CdCt_Cds-CdCO - L7: Cds-CdCt_Cds-CdC=S - L7: Cds-CdCt_Cds-CtCt - L7: Cds-CdCt_Cds-CtCb - L7: Cds-CdCt_Cds-CtCO - L7: Cds-CdCt_Cds-CtC=S - L7: Cds-CdCt_Cds-CbCb - L7: Cds-CdCt_Cds-CbCO - L7: Cds-CdCt_Cds-CbC=S - L7: Cds-CdCt_Cds-COCO - L7: Cds-CdCt_Cds-COC=S - L7: Cds-CdCt_Cds-C=SC=S - L5: Cds-CdCb_Cds - L5: Cds-CdCO_Cds - L5: Cds-CdC=S_Cds - L5: Cds-CtCt_Cds - L6: Cds-CtCt_Cds-HH - L6: Cds-CtCt_Cds-CsH - L6: Cds-CtCt_Cds-CsCs - L6: Cds-CtCt_Cds-OsH - L6: Cds-CtCt_Cds-OsCs - L6: Cds-CtCt_Cds-OsOs - L6: Cds-CtCt_Cds-SsH - L6: Cds-CtCt_Cds-SsCs - L6: Cds-CtCt_Cds-SsOs - L6: Cds-CtCt_Cds-SsSs - L6: Cds-CtCt_Cds-OneDe - L7: Cds-CtCt_Cds-OneDeH - L8: Cds-CtCt_Cds-CdH - L8: Cds-CtCt_Cds-CtH - L8: Cds-CtCt_Cds-CbH - L8: Cds-CtCt_Cds-COH - L8: Cds-CtCt_Cds-C=SH - L7: Cds-CtCt_Cds-OneDeCs - L8: Cds-CtCt_Cds-CdCs - L8: Cds-CtCt_Cds-CtCs - L8: Cds-CtCt_Cds-CbCs - L8: Cds-CtCt_Cds-COCs - L8: Cds-CtCt_Cds-C=SCs - L7: Cds-CtCt_Cds-OneDeOs - L8: Cds-CtCt_Cds-CdOs - L8: Cds-CtCt_Cds-CtOs - L8: Cds-CtCt_Cds-CbOs - L8: Cds-CtCt_Cds-COOs - L8: Cds-CtCt_Cds-C=SOs - L7: Cds-CtCt_Cds-OneDeSs - L8: Cds-CtCt_Cds-CdSs - L8: Cds-CtCt_Cds-CtSs - L8: Cds-CtCt_Cds-CbSs - L8: Cds-CtCt_Cds-COSs - L8: Cds-CtCt_Cds-C=SSs - L6: Cds-CtCt_Cds-TwoDe - L7: Cds-CtCt_Cds-CdCd - L7: Cds-CtCt_Cds-CdCt - L7: Cds-CtCt_Cds-CdCb - L7: Cds-CtCt_Cds-CdCO - L7: Cds-CtCt_Cds-CdC=S - L7: Cds-CtCt_Cds-CtCt - L7: Cds-CtCt_Cds-CtCb - L7: Cds-CtCt_Cds-CtCO - L7: Cds-CtCt_Cds-CtC=S - L7: Cds-CtCt_Cds-CbCb - L7: Cds-CtCt_Cds-CbCO - L7: Cds-CtCt_Cds-CbC=S - L7: Cds-CtCt_Cds-COCO - L7: Cds-CtCt_Cds-COC=S - L7: Cds-CtCt_Cds-C=SC=S - L5: Cds-CtCb_Cds - L5: Cds-CtCO_Cds - L5: Cds-CtC=S_Cds - L5: Cds-CbCb_Cds - L5: Cds-CbCO_Cds - L5: Cds-CbC=S_Cds - L5: Cds-COCO_Cds - L5: Cds-COC=S_Cds - L5: Cds-C=SC=S_Cds - L4: Cds-OJH_Cds - L5: Cds-OJH_Cds-HH - L5: Cds-OJH_Cds-CsH - L4: Cds-OJNonDe_Cds - L5: Cds-OJCs_Cds-HH - L4: Cds-OJDe_Cds - L3: Cds_Cdd - L4: Cds_Ca - L5: Cds-HH_Ca - L5: Cds-CsH_Ca - L5: Cds-CsCs_Ca - L5: Cds-OneDeH_Ca - L6: Cds-CdH_Ca - L6: Cds-CtH_Ca - L6: Cds-CbH_Ca - L6: Cds-COH_Ca - L6: Cds-C=SH_Ca - L5: Cds-OneDeCs_Ca - L6: Cds-CdCs_Ca - L6: Cds-CtCs_Ca - L6: Cds-CbCs_Ca - L6: Cds-COCs_Ca - L6: Cds-C=SCs_Ca - L5: Cds-TwoDe_Ca - L6: Cds-CdCd_Ca - L6: Cds-CdCt_Ca - L6: Cds-CdCb_Ca - L6: Cds-CdCO_Ca - L6: Cds-CdC=S_Ca - L6: Cds-CtCt_Ca - L6: Cds-CtCb_Ca - L6: Cds-CtCO_Ca - L6: Cds-CtC=S_Ca - L6: Cds-CbCb_Ca - L6: Cds-CbCO_Ca - L6: Cds-CbC=S_Ca - L6: Cds-COCO_Ca - L6: Cds-COC=S_Ca - L6: Cds-C=SC=S_Ca - L4: Cds_Ck - L5: Cds-HH_Ck - L5: Cds-CsH_Ck - L5: Cds-CsCs_Ck - L5: Cds-OneDeH_Ck - L5: Cds-OneDeCs_Ck - L5: Cds-TwoDe_Ck - L3: Cdd_Cds - L4: Ca_Cds - L5: Ca_Cds-HH - L5: Ca_Cds-CsH - L5: Ca_Cds-CsCs - L5: Ca_Cds-OneDeH - L6: Ca_Cds-CdH - L6: Ca_Cds-CtH - L6: Ca_Cds-CbH - L6: Ca_Cds-COH - L6: Ca_Cds-C=SH - L5: Ca_Cds-OneDeCs - L6: Ca_Cds-CdCs - L6: Ca_Cds-CtCs - L6: Ca_Cds-CbCs - L6: Ca_Cds-COCs - L6: Ca_Cds-C=SCs - L5: Ca_Cds-TwoDe - L6: Ca_Cds-CdCd - L6: Ca_Cds-CdCt - L6: Ca_Cds-CdCb - L6: Ca_Cds-CdCO - L6: Ca_Cds-CdC=S - L6: Ca_Cds-CtCt - L6: Ca_Cds-CtCb - L6: Ca_Cds-CtCO - L6: Ca_Cds-CtC=S - L6: Ca_Cds-CbCb - L6: Ca_Cds-CbCO - L6: Ca_Cds-CbC=S - L6: Ca_Cds-COCO - L6: Ca_Cds-COC=S - L6: Ca_Cds-C=SC=S - L4: Ck_Cds - L5: Ck_Cds-HH - L5: Ck_Cds-CsH - L5: Ck_Cds-CsCs - L5: Ck_Cds-OneDeH - L6: Ck_Cds-CdH - L6: Ck_Cds-CtH - L6: Ck_Cds-CbH - L6: Ck_Cds-COH - L6: Ck_Cds-C=SH - L5: Ck_Cds-OneDeCs - L6: Ck_Cds-CdCs - L6: Ck_Cds-CtCs - L6: Ck_Cds-CbCs - L6: Ck_Cds-COCs - L6: Ck_Cds-C=SCs - L5: Ck_Cds-TwoDe - L6: Ck_Cds-CdCd - L6: Ck_Cds-CdCt - L6: Ck_Cds-CdCb - L6: Ck_Cds-CdCO - L6: Ck_Cds-CdC=S - L6: Ck_Cds-CtCt - L6: Ck_Cds-CtCb - L6: Ck_Cds-CtCO - L6: Ck_Cds-CtC=S - L6: Ck_Cds-CbCb - L6: Ck_Cds-CbCO - L6: Ck_Cds-CbC=S - L6: Ck_Cds-COCO - L6: Ck_Cds-COC=S - L6: Ck_Cds-C=SC=S - L3: Cdd_Cdd - L4: Ca_Ca - L4: Ck_Ck - L4: Ca_Ck - L4: Ck_Ca - -// Not adapted - - L3: Cdd_Od - L4: CO2 - L4: Ck_O - L4: C=S_O - - L3: CO_O - L4: CO/H2_O - L4: CO/H/Nd_O - L5: CO/H/Cs - L4: CO/H/De_O - L4: CO/Nd2_O - L4: CO/Nd/De_O - L4: CO/De2_O - -// Untill here - - L3: Cds_Sd - L4: Cds-HH_Sd - L4: Cds-CsH_Sd - L4: Cds-CsCs_Sd - L4: Cds-OsH_Sd - L4: Cds-OsCs_Sd - L4: Cds-SsH_Sd - L4: Cds-SsCs_Sd - L4: Cds-OneDeH_Sd - L5: Cds-CdH_Sd - L5: Cds-CtH_Sd - L5: Cds-CbH_Sd - L5: Cds-COH_Sd - L5: Cds-C=SH_Sd - L4: Cds-OneDeCs_Sd - L5: Cds-CdCs_Sd - L5: Cds-CtCs_Sd - L5: Cds-CbCs_Sd - L5: Cds-COCs_Sd - L5: Cds-C=SCs_Sd - L4: Cds-TwoDe_Sd - L5: Cds-CdCd_Sd - L5: Cds-CdCt_Sd - L5: Cds-CdCb_Sd - L5: Cds-CdCO_Sd - L5: Cds-CdC=S_Sd - L5: Cds-CtCt_Sd - L5: Cds-CtCb_Sd - L5: Cds-CtCO_Sd - L5: Cds-CtC=S_Sd - L5: Cds-CbCb_Sd - L5: Cds-CbCO_Sd - L5: Cds-CbC=S_Sd - L5: Cds-COCO_Sd - L5: Cds-COC=S_Sd - L5: Cds-C=SC=S_Sd - L3: Cdd_Sd - L4: Cdd-Sd_Sd - L2: Ct_R - L3: Ct_Ct - L4: Ct-H_Ct-H - L4: Ct-H_Ct-Cs - L4: Ct-Cs_Ct-H - L4: Ct-Cs_Ct-Cs - L4: Ct-H_Ct-De - L5: Ct-H_Ct-Cd - L5: Ct-H_Ct-Ct - L5: Ct-H_Ct-Cb - L5: Ct-H_Ct-CO - L5: Ct-H_Ct-C=S - L4: Ct-Cs_Ct-De - L5: Ct-Cs_Ct-Cd - L5: Ct-Cs_Ct-Ct - L5: Ct-Cs_Ct-Cb - L5: Ct-Cs_Ct-CO - L5: Ct-Cs_Ct-C=S - L4: Ct-De_Ct-H - L5: Ct-Cd_Ct-H - L5: Ct-Ct_Ct-H - L5: Ct-Cb_Ct-H - L5: Ct-CO_Ct-H - L5: Ct-C=S_Ct-H - L4: Ct-De_Ct-Cs - L5: Ct-Cd_Ct-Cs - L5: Ct-Ct_Ct-Cs - L5: Ct-Cb_Ct-Cs - L5: Ct-CO_Ct-Cs - L5: Ct-C=S_Ct-Cs - L4: Ct-De_Ct-De - L5: Ct-Cd_Ct-Cd - L5: Ct-Cd_Ct-Ct - L5: Ct-Ct_Ct-Cd - L5: Ct-Ct_Ct-Ct - L2: Od_R - L3: Od_Cd - L4: Od_Cd-CsH - L3: Od_Cdd - L4: Od_Cdd-Od - L2: Sd_R - L3: Sd_Cd - L4: Sd_Cds-HH - L4: Sd_Cds-CsH - L4: Sd_Cds-OsH - L4: Sd_Cds-OsCs - L4: Sd_Cds-CsCs - L4: Sd_Cds-OneDeH - L5: Sd_Cds-CdH - L5: Sd_Cds-CtH - L5: Sd_Cds-CbH - L5: Sd_Cds-COH - L5: Sd_Cds-C=SH - L4: Sd_Cds-OneDeCs - L5: Sd_Cds-CdCs - L5: Sd_Cds-CtCs - L5: Sd_Cds-CbCs - L5: Sd_Cds-COCs - L5: Sd_Cds-C=SCs - L4: Sd_Cds-TwoDe - L5: Sd_Cds-CdCd - L5: Sd_Cds-CdCt - L5: Sd_Cds-CdCb - L5: Sd_Cds-CdCO - L5: Sd_Cds-CdC=S - L5: Sd_Cds-CtCt - L5: Sd_Cds-CtCb - L5: Sd_Cds-CtCO - L5: Sd_Cds-CtC=S - L5: Sd_Cds-CbCb - L5: Sd_Cds-CbCO - L5: Sd_Cds-CbC=S - L5: Sd_Cds-COCO - L5: Sd_Cds-COC=S - L5: Sd_Cds-C=SC=S - L3: Sd_Cdd - L4: Sd_Cdd-Sd - - -L1: YJ - L2: HJ - L2: CJ - L3: CsJ - L4: CsJ-HHH - L4: CsJ-CsHH - L4: CsJ-CsCsH - L4: CsJ-CsCsCs - L4: CsJ-OsHH - L4: CsJ-OsCsH - L4: CsJ-OsCsCs - L4: CsJ-OsOsH - L4: CsJ-OsOsCs - L4: CsJ-OsOsOs - L4: CsJ-SsHH - L4: CsJ-SsCsH - L4: CsJ-SsCsCs - L4: CsJ-SsSsH - L4: CsJ-SsSsCs - L4: CsJ-SsSsSs - L4: CsJ-OneDe - L5: CsJ-OneDeHH - L6: CsJ-CdHH - L6: CsJ-CtHH - L6: CsJ-CbHH - L6: CsJ-COHH - L6: CsJ-C=SHH - L5: CsJ-OneDeCsH - L6: CsJ-CdCsH - L6: CsJ-CtCsH - L6: CsJ-CbCsH - L6: CsJ-COCsH - L6: CsJ-C=SCsH - L5: CsJ-OneDeOsH - L5: CsJ-OneDeSsH - L5: CsJ-OneDeCsCs - L6: CsJ-CdCsCs - L6: CsJ-CtCsCs - L6: CsJ-CbCsCs - L6: CsJ-COCsCs - L6: CsJ-C=SCsCs - L5: CsJ-OneDeOsCs - L5: CsJ-OneDeSsCs - L5: CsJ-OneDeOsOs - L5: CsJ-OneDeOsSs - L5: CsJ-OneDeSsSs - L4: CsJ-TwoDe - L5: CsJ-TwoDeH - L6: CsJ-CdCdH - L6: CsJ-CdCtH - L6: CsJ-CdCbH - L6: CsJ-CdCOH - L6: CsJ-CdC=SH - L6: CsJ-CtCtH - L6: CsJ-CtCbH - L6: CsJ-CtCOH - L6: CsJ-CtC=SH - L6: CsJ-CbCbH - L6: CsJ-CbCOH - L6: CsJ-CbC=SH - L6: CsJ-COCOH - L6: CsJ-COC=SH - L6: CsJ-C=SC=SH - L5: CsJ-TwoDeCs - L6: CsJ-CdCdCs - L6: CsJ-CdCtCs - L6: CsJ-CdCbCs - L6: CsJ-CdCOCs - L6: CsJ-CdC=SCs - L6: CsJ-CtCtCs - L6: CsJ-CtCbCs - L6: CsJ-CtCOCs - L6: CsJ-CtC=SCs - L6: CsJ-CbCbCs - L6: CsJ-CbCOCs - L6: CsJ-CbC=SCs - L6: CsJ-COCOCs - L6: CsJ-COC=SCs - L6: CsJ-C=SC=SCs - L5: CsJ-TwoDeOs - L5: CsJ-TwoDeSs - L4: CsJ-ThreeDe - L3: CdsJ - L4: CdsJ-H - L4: CdsJ-Cs - L4: CdsJ-Cd - L4: CdsJ-Ct - L4: CdsJ-Cb - L4: CdsJ-CO - L4: CdsJ-C=S - L4: CdsJ-Os - L4: CdsJ-Ss - L3: CdsJ=Cdd - L3: CtJ - L3: CbJ - L3: C=SJ - L4: C=SJ-H - L4: C=SJ-Cs - L4: C=SJ-Cd - L4: C=SJ-Ct - L4: C=SJ-Cb - L4: C=SJ-CO - L4: C=SJ-C=S - L4: C=SJ-Os - L4: C=SJ-Ss - -// -// This section not updated yet -// - - L3: CO_rad - L4: CO_pri_rad - L4: CO_sec_rad - L5: CO_rad/NonDe - L5: CO_rad/OneDe - - L3: C2b - - L2: O_rad - L3: O_pri_rad - L3: O_sec_rad - L4: O_rad/NonDe - L4: O_rad/NonDeC - L4: O_rad/NonDeO - L4: O_rad/OneDe - L3: O2b - - L2: Y_1centerbirad - //L3: CO_birad - L3: O_atom_triplet - L3: CH2_triplet - L3: SJJ - -// -// Up to here -// - - L2: SJ - L3: SsJ - L4: SsJ-H - L4: SsJ-Cs - L4: SsJ-Ss - L4: SsJ-OneDe - L5: SsJ-Cd - L5: SsJ-Ct - L5: SsJ-Cb - L5: SsJ-CO - L5: SsJ-C=S - diff --git a/output/RMG_database/kinetics_groups/R_Recombination/comments.rst b/output/RMG_database/kinetics_groups/R_Recombination/comments.rst deleted file mode 100644 index f022e641d3..0000000000 --- a/output/RMG_database/kinetics_groups/R_Recombination/comments.rst +++ /dev/null @@ -1,1160 +0,0 @@ - -For some reason the definition of Cs_rad:: - - Cs_rad - 1 * C 1 - -which is not mutually exclusive from its L2 siblings such as:: - - Cd_rad - 1 * C 1 {2,D}, {3,S} - 2 C 0 {1,D} - 3 R 0 {1,S} - -is apparently not causing a problem - ---- -425 ---- -[167] Dingle, J.R.; Le Roy, D.J.; J. Chem. Phys. 1950, 18, 1632. - -Absolute value measured directly. Excitation: thermal. H + H --> H2 Bath gas: C2H2 - -NIST record: http://kinetics.nist.gov/kinetics/Detail?id=1950DIN/LER1632-1637:1 -***high probability of inaccuracy*** -Checked by Greg Magoon; I suspect the parameters in the paper come from a different reaction (maybe H + C2H2 -> products?); (even if it was the correct reaction, the parameters used by NIST and RMG appear to be based off of values from the abstract, but p. 1637 seems to suggest that it may be more complicated, perhaps a collision theory-type form as alluded to in the abstract...p. 1637 states "In calculating E1 allowance was made for the term T^1/2 appearing in the frequency factor.";if this is the case, then the NIST record is inaccurate; almost all the other papers in NIST database report 3rd order rate constant, which is proportional to [M]; the best assessment I have found is Stace and Murrell, IJCK, v. 10, p. 197-212, which seems to suggest bimolecular rate constant of at least ~10^14 at high pressure (over 3 orders of magnitude higher than this value); this paper and Troe, Ann. Rev. Phys. Chem. 1978. 29: 223-250. make reference to "diffusion" limitations at very high pressure; another (relatively minor) consideration is that we will probably want to divide the reported rate coefficient by 2 to correctly account for stoichiometry - ---- -426 ---- -[168] Takahashi, J.; Momose, T.; Shida, T. Bull. Chem. Soc. Jpn. 1994, 67, 74. - -H + CH3 --> CH4 - -CVTST calculation -NIST record: http://kinetics.nist.gov/kinetics/Detail?id=1994TAK/MOM74-85:2 -Verified by Greg Magoon: RMG value agrees with NIST record, and the points in the NIST record agree with the values in Table 3 in the paper within 10%; note that a 3000K data point is also available in the paper, but doesn't seem to be considered in the NIST fit; also, note that a lot of other data for this reaction is available on the NIST site and in the paper - ---- -427 ---- -[94] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Frank, P.; Hayman, G,; Just, T.; Kerr, J.A.; Murrells, T.; Pilling, M.J.; -Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1994, 23, 847. - -H + CH3 --> CH4 - -pg 870 Evaluated Kinetic Data for Combustion Modelling Supplement 1, Table 3. Combination reactions. - -RMG data matches reference data for k(infinity). - Verified by Karma James - -pg.903-906: Discussion on evaluated data - -H+CH3(+m) --> CH4(+m): RMG stores the recommended rate coefficient for k_inf. Recommended - -rate coefficient is that reported by Baulch et al. in previous literature review -(since no new experimental data had been reported since). -MRH 31-Aug-2009 - - ---- -428 ---- -[169] Sillesen , A.; Ratajczak, E.; Pagsberg, P. Chem. Phys. Lett. 1993, 201, 171. -Data derived from fitting to a complex mechanism. Excitation: radiolysis, analysis: IR absroption. Pressure 0.10 bar - -H + C2H5 (+ M) --> C2H6 (+ M) (Rxn. 2b) - -***NHP*** -Verified by Greg Magoon; I changed the DA uncertainty from (times/divide)1.1 to (+/-)1E13, as this is what the abstract reports (also, Table 3 mentions uncertainties in the range of 10%-20%) - ---- -429 ---- -[134] Warnatz, J. Rate coefficeints in the C/H/O system. In Combustion Chemistry, 1984; pp 197. - ---- -430 ---- -[170] Munk, J; Pagsberg, P.; Ratajczak, E.; Sillensen, A. Chem. Phys. Lett. 1986, 132, 417. -Data derived from fitting to a complex mechanism. Excitation: electron beam, analysis: Vis-UV absorption. Pressure 1.0 atm - -H + isoC3H7 (+ M) --> C3H8 (+ M) (Rxn. 7) - -***NHP*** -Verified by Greg Magoon; I changed the DA uncertainty from (times/divide)1.25 to 0.3E+14, as reported in the paper - ---- -431 ---- -[171] Fahr, A.; Laufer, A.; Klein, R.; Braun, W. J. Phys. Chem. 1991, 95, 3218. -Absolute value measured directly. Excitation: flash photolysis, analysis : Vis-UV absorption. Pressure 0.13 atm. Original uncertainty 4.8E+13 - -H + C2H3 -> C2H4 (Rxn. VIIC) - -***NHP*** -Verified by Greg Magoon; note that the value in rateLibrary agrees with value reported in abstract, the value in Table III also includes contribution from Rxn. VIID, which apparently dominates at low pressures (p. 3222); DA uncertainty updated, as I have done elsewhere; also, for k, I calculate 1.2044E14 (which is very slightly different from 1.21 used here) - ---- -432 ---- -[165] Duran, R. P.; Amorebieta, V. T.; Colussi, A. J. J. Phys. Chem. 1988, 92, 636. -Ab initio - -H + C2H3 --> C2H4 (Rxn. 13) - -NIST Record: http://kinetics.nist.gov/kinetics/Detail?id=1988DUR/AMO636:10 -Verified by Greg Magoon; RMG and NIST data seem to be the same; presumably, NIST fit is based off of data in Table 3, but the fit isn't quite right, especially at 1500 K ; using the 700 and 1300 table values, I get Ea=1.03 kcal/mol; using 1300 K value, I get A = 5.66E14 cm^3/mol-s; fit seems to be essentially indistinguishable from data at end points, and error is just under 10% at 1000 K...since the NIST fit has a slightly lower maximum error, I will just leave it the way it is; aside: 10^9.7 prefactor mentioned on p. 637 doesn't seem consistent with NIST data or paper data in Table III; this is presumably high-pressure limit since no pressure-dependence is indicated in the table - ---- -433 ---- -[89] Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -H + C2H --> C2H2 - -pg 1101, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 21,4. - -Verified by Karma James - -NOTE: Reported rate coefficients are for k_inf (MRH 11Aug2009) - -pg. 1218-1219: Discussion on evaluated data - -Recommended data (k_inf) based on reverse rate and equilibrium constant - -Fall-off and collisional efficiencies are available in reference -(although we do not store them in RMG_database) -MRH 28-Aug-2009 - - ---- -434 ---- -[172] Davis, S. G.; Wang, H.; Brezinsky K.; Law C. K. Symp. Int. Combust. Proc. 1996, 26, 1025. -(1000-1200K, excitation : thermal, pressure 1.0 atm) - -[173] Ackerman, L.; Hippler, H.; Pagsberg, P.; Reihs, C.; Troe, J. J. Phys. Chem. 1990, 94, 5247. -(300K, absolute value measured directly, excitation : flash photolysis, analysis : VIS-UV absorption, pressure 0.01-0.99 atm) - -[172b] Emdee, J. L., Brezinsky, K., and Glassman, I., J. Phys. Chem. 96:2151–2161 (1992) DOI: 10.1021/j100184a025 -H + phenyl --> benzene (R1 in [172]) (Reaction 1 in [172b]) -Verified by Greg Magoon -[172]: reported rate coefficient is for k_inf (see Table 1); temperature range considered is 1000-1200 K; this paper cites: Emdee, J. L., Brezinsky, K., and Glassman, I., J. Phys. Chem. 96:2151–2161 (1992) DOI: 10.1021/j100184a025 (included as 172b, above), which, in turn, references [173] (Troe) paper...conditions for this paper are 1100 K - 1200 K -[173]: this contains the uncertainty estimate (see Table 2); I updated the DA uncertainty as I have done elsewhere; this seems to be the actual raw value that was subsequently interpreted/used in the paper cited by Ref. 172; conditions are 300 K and 1 bar, so apparently, the paper cited by Ref. 172 and/or Ref. 172 itself has assumed that it is in high-pressure limit and that it is temperature independent -[172b]: see Table III - ---- -435 ---- -[174] Tsuboi, T.; Katoh, M.; Kikuchi, S.; Hashimoto, K. Jpn J. Appl. Phys. 1981, 20, 985. -Data is estimated. Pressure 7.0 atm. - -H + HCO (+M) --> H2CO (+M) (Rxn -9) - -***NHP*** possible improvement for A (for rho = 1E-4): 6.61E10 -Verified by Greg Magoon; three A factors have been reported (for 3 different densities); the value currently used in the rateLibrary appears to come from the middle density: 5E-5 (mol/cm^3, I think);I have assumed that the 2nd two columns in Table II are for the reverse reaction reference for this value is apparently in Japanese (see *** note in Table 2); minor issue: I calculate -19/4.184 = -4.54 kcal/mol (vs. -4.53 in rateLibrary) - ---- -436 ---- -[106] Cobos, C. J.; Troe, J. J. Chem. Phys. 1985, 83, 1010. -Transition State Theory - -H + OH --> H2O - - ---- -437 ---- -[175] Pesa, M. ; Pilling, M. J.; Robertson, S. H.; Wardlaw. J. Phys. Chem. A 1998, 102, 8526. -Canonical Flexible Transition State Theory - -CH3 + CH3 --> C2H6 (Same as 438) (Rxn. R1) - -NIST record: http://kinetics.nist.gov/kinetics/Detail?id=1998PES/PIL8526-8536:1 -Verified by Greg Magoon; NIST record has slightly different parameters than RMG (it doesn't seem like best-fit parameters are reported in the paper); paper values for k_inf with alpha = 1 appear in Tables 5/11 and values for alpha = 0.7 appear in Tables 6/12; NIST parameters agree within 10% of k_inf values in the paper with alpha = 1 A^-1 (Tables 11) (though in paper, they seem to suggest that alpha = 0.7 A^-1 (Table 6/12) matches experimental data better); I am assuming that their k is for the reaction, as written, so that no factor of two correction is needed; RMG parameters seem to agree with Table 5 values within 10% (agreement may not be quite as good as NIST fit, though it is not immediately obvious which fit is better without looking closer/doing calculations) - ---- -438 ---- -[94] Baulch, D. L.; Cobos, C. J.; Cox, R. A.; Frank, P.; Hayman, G.; Just, T.; Kerr, J. A.; -Murrells, T.; Pilling, M. J.; Troe, J.; Walker, R. W.; Warnatz, J. J. Phys. Chem. Ref. Data 1994, 23, 847. - -CH3 + CH3 --> C2H6 (Same as 437) - -pg 871 Evaluated Kinetic Data for Combustion Modelling Supplement 1, Table 3. Combination reactions. - -RMG data matches reference data for k(infinity). - -Verified by Karma James - -pg.980-983: Discussion on evaluated data - -CH3+CH3(+m) --> C2H6(+m): RMG stores the recommended high-pressure limit rate coefficient, - -k_inf. "The recommended values are based mainly on the extensive sets of data -from Refs. 4, 10, 11, and 14 up to 1000K ..." -MRH 31-Aug-2009 - - ---- -439 ---- -[94] Baulch, D. L.; Cobos, C. J.; Cox, R. A.; Frank, P.; Hayman, G.; Just, T.; Kerr, J. A.; -Murrells, T.; Pilling, M. J.; Troe, J.; Walker, R. W.; Warnatz, J. J. Phys. Chem. Ref. Data 1994, 23, 847. - -CH3 + C2H5 --> C3H8 - -pg 871 Evaluated Kinetic Data for Combustion Modelling Supplement 1, Table 3. Combination reactions. - -RMG data matches reference data for k(infinity). - -Verified by Karma James - -pg.991: Discussion on evaluated data - -CH3+C2H5(+m) --> C3H8(+m): RMG stores the recommended high-pressure limit rate coefficient, - -k_inf. "The recommended value for k_inf is a weighted average of earlier experiments -in agreement with SACM calculations following Ref.10. A temperature independent value -of k_inf is assumed until more definite experimental information is available." -MRH 31-Aug-2009 - - ---- -440 ---- -[176] Tsang, W. Combust. Flame 1989, 78, 71. -RRK(M) extrapolation. - -CH3 + iso-C3H7 --> iso-C4H10 - -Verified by Greg Magoon; high-pressure rate constants are reported here; -I don't immediately see an explicit temperature range for the polynomial fits, -but the domain of the graphs agrees pretty well with the range in the rateLibrary -(though the graphs seem to go slightly higher, to 2000 K); the abstract says -"from room to combustion temperatures", so if anything, the range specified in -the rateLibrary is probably too narrow; minor: I calculate 1.1E-9*6.022141E23=6.624E14, -but rateLibrary has slightly different value of 6.64E14 - ---- -441 ---- -[92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. - -CH3 + tert-C4H9 --> neo-C5H12 - -pg 7, Chemical Kinetic Database For Combustion Chemistry, Part 4 - Isobutane. - -Index of Reactions and Summary of Recommended Rate Expressions. No. 44,16. -Verified by Karma James - -NOTE: Data entry was not consistent w/recommended value in reference (pg. 36) - -MRH computes A=4.88E+15, n=-1, E=0, dA=*2.0 (11Aug2009) - -MRH interprets data in reference as 2.7E-11*(300/T)^-1, NOT 2.7E-11*exp(300/T) - -NOTE: kinetics.nist.gov has 2.7E-11*exp(300/T) expression in database - -kinetics.nist.gov also has A/n/E from 2006 paper by Klippenstein et al.; -the new rate expression matches Klippenstein's value better across the valid T range -pg.36: Discussion on evaluated data - -Entry 44,16(b) - -MRH computed geometric mean of CH3+CH3-->adduct (1.68x10^-9 * T^-0.64) and tC4H9+tC4H9-->adduct - -(4x10^-12 * (300/T)^1.5) to obtain: 5.909x10^-9 * T^-1.07. Setting the temperature -exponent equal to one and multiplying by 1 (*300/300) results in: 1.970x10^-11 * (300/T) -which is somewhat in agreement with the value recommended by Tsang. -MRH 31-Aug-2009 - - ---- -442 ---- -[171] Fahr, A.; Laufer, A.; Klein, R.; Braun, W. J. Phys. Chem. 1991, 95, 3218. -Absolute value measured directly. Excitation: flash photolysis, analysis : Vis-UV absorption. Pressure 0.13 atm. Original Uncertainty 1.8E+13 - -CH3. + .HC=CH2 --> CH3HC=CH2 (Rxn. IIIC) - -***NHP*** -Verified by Greg Magoon; DA uncertainty updated, as I have done elsewhere - ---- -443 ---- -[177] Tokmakov, I. V.; Park, J.; Gheyas, S. I.; Lin, M. C. J. Phys. Chem. A. 1999, 103, 3636. -Data Derived from detailed balance/reverse rate. Uncertainty 8.0E-2. - -CH3 + phenyl --> C6H5CH3 (Rxn. 2) (cf. #444, below) - -***NHP*** -Verified by Greg Magoon; 0.05 kcal barrier changed to 0.046 as reported in paper; uncertainties are in abstract; more precise values appear in Tables 3,4; however, note: in text on p. 3639, A factor uncertainty is expressed as additive on log scale...value is relatively small, so it probably doesn't make that much of a difference; DA uncertainty was added and DE0 uncertainty was refined - ---- -444 ---- -[178] Park, J.; Cheyas, s. I.; Lin, M. C. Int. J. Chem. Kinet. 1999, 31, 645. -Absolute value measured directly. Excitation: flash photolysis, analysis : mass spectometry. Pressure 0.05 atm. Uncertainty 7.0E-02 - -CH3 + phenyl --> C6H5CH3 (Rxn. 4) (cf. #443, above) - -***NHP*** -Verified by Greg Magoon; values appear in Appendix A and (with uncertainty) on p. 649; total pressure around 3 torr (Table II); DA uncertainty was added and DE0 uncertainty was refined - ---- -445 ---- -[89] Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -CH3 + HCO --> CH3CHO - -pg 1095, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 16,15. - -Verified by Karma James - -pg. 1167: Discussion on evaluated data - -Recommended data calculated using reverse rate and equilibrium constant - -Authors note that their RRKM calculations suggest that rxn is very close -to high-P limit at low temperatures. -MRH 28-Aug-2009 - - ---- -446 ---- -[179] Hassinen, E.; Kalliorinne, K; Koskikallio, J. Int. J. Chem. Kinet. 1990, 22, 741 -Data derived from fitting to a complex mechanism. Excitation : direct photolysis, analysis : GC. Pressure 96? and 99 kPa with He, 5.5 kPa and 25 kPa with CO2. - -CH3CO. + .CH3 --> (CH3)2CO (Rxn. 6) - -paper states reaction occurs close to high pressure limit (p. 742) -Verified by Greg Magoon; Note that the paper cites 4 other values for k6 from literature; perhaps uncertainty could be assigned based on these values; also, page 744 discusses "relatively large value of k6" potentially due to other reactions; p. 744: uncertainty estimated to be 20% -> I changed DA uncertainty from 0 to 8.4E+12 - ---- -447 ---- -[89] Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -CH3 + CH3CO --> (CH3)2CO - -pg 1103, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 22,16. - -Verified by Karma James - -NOTE: Reported rate coefficients are for k_inf (MRH 11Aug2009) - -pg. 1232-1233: Discussion on evaluated data - -Recommended data computed using reverse rate constant (assuming pre-exponential factor - -of 5x10^16 s^-1) and equilibrium constant. -Fall-off curves and collisional efficiencies are reported (although we do not - -store them in RMG_database) -Rate coefficient expression given on pg. 1232 different from that reported in - -table on pg. 1103. Value in RMG and on kinetics.nist.gov agree with the -expression reported in table. -MRH 28-Aug-2009 - - ---- -448 ---- -[94] Baulch, D. L.; Cobos, C. J.; Cox, R. A.; Frank, P.; Hayman, G.; Just, T.; Kerr, J. A.; -Murrells, T.; Pilling, M. J.; Troe, J.; Walker, R. W.; Warnatz, J. J. Phys. Chem. Ref. Data 1994, 23, 847. - -CH3 + .OH --> CH3OH - -pg 871 Evaluated Kinetic Data for Combustion Modelling Supplement 1, Table 3. Combination reactions. - -RMG data matches reference data for k(infinity). - -Verified by Karma James - -pg.933-934: Discussion of evaluated data - -OH+CH3(+m) --> CH3OH(+m): RMG stores the recommended high-pressure limit rate coefficient, - -k_inf. "The available database is still limited and more measurements are needed. -... The preferred k_inf is consistent with SACM estimates ..." -MRH 31-Aug-2009 - - ---- -449 ---- -[89] Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -CH3 + CH3O --> (CH3)2O - -pg 1104, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 24,16. - -Verified by Karma James - -pg. 1247: Discussion on evaluated data - -Recommended data from study by Gray, Shaw, and Thynne (1967). Expression was - -estimated from rates of CH3+CH3=C2H6 and CH3O+CH3O=CH3OOCH3. -MRH 28-Aug-2009 - - ---- -450 ---- -[95] Baulch, D. L.; Cobos, C. J.; Cox, R. A.; Esser, C.; Frank, P.; Just, T.; Kerr, -J. A.; Pilling, M. J.; Troe, J.; Walker, R. W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - -.C2H5 + .C2H5 --> n-C4H10 - -pg.707: Discussion on evaluated data - -C2H5+C2H5 --> nC4H10: "The preferred rate coefficient is the mean of the results of - -Parkes and Quinn, Adachi et al., Demissy and Lesclaux, Pacey and Wimalasena, -Munk et al., Arthur, and Anastasi and Arthur which are all in substantial -agreement." -MRH 31-Aug-2009 - - ---- -451 ---- -[91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. -C2H5 + iso-C3H7 --> iso-C5H12 - -pg 894, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 42,17. - -Verified by Karma James - -pg. 937-938: Discussion on evaluated data - -Entry 42,17 (a): No data available at the time. The author obtains the recommended - -rate coefficient expression by using the geometric mean rule (using the rxn rates -of C2H5+C2H5-->adduct and i-C3H7+i-C3H7-->adduct). -MRH 30-Aug-2009 - - ---- -452 ---- -[92] Tsang, W. J Phys. Chem. Ref. Data 1990, 19, 1. -C2H5 + tert-C4H9 --> (CH3)3CCH2CH3 - -//DOES NOT MATCH! Reference: A = 9.6E+12, E0 = 0, n = -0.75, Database: A = 6.91E+14, E0 = 0, n = -0.75 - -//pg 7, Chemical Kinetic Database For Combustion Chemistry, Part 4 - Isobutane. - -//Index of Reactions and Summary of Recommended Rate Expressions. No. 44,17. - -//Verified by Karma James - -pg. 37 - -Data reported as kc = 1.6e-11 * (300/T)^0.75 - -When lumping the 1.6e-11 * 300^0.75, attain A=6.94e+14 -No experimental data, at the time - -Verified by MRH on 10Aug2009 - -pg.37: Discussion on evaluated data - -Entry 44,17(c): Recommended rate calculated by taking geometric mean of C2H5+C2H5-->adduct - -and tC4H9+tC4H9-->adduct rxns. -MRH 31-Aug-2009 - - ---- -453 ---- -[89] Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -C2H5 + HCO --> C2H5CHO - -pg 1097, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 17,15. - -Verified by Karma James - -pg. 1179: Discussion on evaluated data - -Recommended data is based on the rate expression for CH3+CHO-->H3CCHO - -MRH 28-Aug-2009 - - ---- -454 ---- -[89] Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -C2H5 + CH3CO --> C2H5COCH3 - -pg 1103, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 22,17. - -Verified by Karma James - -pg. 1234: Discussion on evaluated data - -Recommended data is based on the rate expression for CH3+CH3CO-->(CH3)2CO - -MRH 28-Aug-2009 - - ---- -455 ---- -[180] Fagerstrom, K.; Lund, A.; Mahmoud, G.; Jodkowski, J. T.; Ratajczak, E. Chem. Phys. Lett. 1993, 208, 321 -Excitation : radiolysis, analysis : VIS-UV absorption. Pressure 0.25-0.99 bar SF6. Original Uncertainty 1.0E+13. - -C2H5 + OH (+M) --> C2H5OH (+M) (Rxn. 1a) - -Verified by Greg Magoon; value reported for k1a,Infinity (high-pressure) appears to be theoretical rather than experimentally based; value in paper is 7.7+/-1.0E13 (rateLibrary originally had 7.69E13 with uncertainty of *1.1, so I changed it to match paper values); there doesn't seem to be an experimental value for k1a, but k(1a+1b) is slightly lower (6.5E13); experimentally, they say no pressure dependence observed in studied pressure range (p. 326) - ---- -456 ---- -[91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. -Iso-C3H7 + iso-C3H7 --> (CH3)2CHCH(CH3)2 - -pg 895, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 42,42. - -//NOTE: For A value, Database value = 3.25E+14 and Reference value = 6.023E+12 - -Verified by Karma James - -MRH computes reference A value = 3.26E+14 (11Aug2009) - -pg. 946-947: Discussion on evaluated data - -Entry 42,42 (a): Multiple data available at low T. Author fit experimentally reported - -data to obtain recommended rate coefficient expression. Note: the author states -that more high-Temperature data points are necessary (to ensure a reasonable -fit at high-T). -MRH 30-Aug-2009 - - ---- -457 ---- -[92] Tsang, W. J Phys. Chem. Ref. Data 1990, 19, 1. -Iso-C3H7 + tert-C4H9 --> 2,2,3-trimethyl-butane - -//DOES NOT MATCH! Reference: A = 7.83E+12, E0 = 0, n = -1.1, Database: A = 4.12E+15, E0 = 0, n = -1.1 - -//pg 8, Chemical Kinetic Database For Combustion Chemistry, Part 4 - Isobutane. - -//Index of Reactions and Summary of Recommended Rate Expressions. No. 44,42. - -//Verified by Karma James - -pg. 46 - -Data reported as kc = 1.3e-11 * (300/T)^1.1 - -When lumping the 1.3e-11 * 300^1.1, attain A=4.15e+15 -No experimental data, at the time - -Verified by MRH on 10Aug2009 - -Entry 44,42(c): Recommended rate computed using geometric mean of iC3H7+iC3H7-->adduct - -and tC4H9+tC4H9-->adduct rxns. -MRH 31-Aug-2009 - - ---- -458 ---- -[91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. -Iso-C3H7 + CH3CO --> iso-C3H7COCH3 - -pg 895, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 42,22. - -//NOTE: For A value, Database value = 6.64E+13 and Reference value = 9.03E+12 - -Verified by Karma James - -MRH computes reference A value = 6.65E+13 (11Aug2009) - -pg. 943: Discussion on evaluated data - -Entry 42,22: No data available at the time. Author uses the geometrical mean rule - -(for the rxns i-C3H7+i-C3H7-->adduct and CH3CO+CH3CO-->adduct) to obtain -recommended rate coefficient expression -MRH 30-Aug-2009 - - ---- -459 ---- -[91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. -Iso-C3H7 + CH3O --> i-C3H7OCH3 - -pg 895, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 42,24. - -Verified by Karma James - -pg. 943: Discussion on evaluated data - -Entry 42,24 (b): No data available at the time. Author recommends rate coefficient - -based on CH3+CH3O-->adduct. -MRH 30-Aug-2009 - - ---- -460 ---- -[92] Tsang, W. J Phys. Chem. Ref. Data 1990, 19, 1. -Tert-C4H9 + tert- C4H9 --> (CH3)3CC(CH3)3 - -//DOES NOT MATCH! Reference: A = 2.4E+12, E0 = 0, n = -1.5, Database: A = 1.24E+16, E0 = 0, n = -1.5 - -//pg 8, Chemical Kinetic Database For Combustion Chemistry, Part 4 - Isobutane. - -//Index of Reactions and Summary of Recommended Rate Expressions. No. 44,44. - -//Verified by Karma James - -pg. 47 - -Data reported as ka = 4e-12 * (300/T)^1.5 - -When lumping the 4e-12 * 300^1.5, attain A=1.25e+16 -Recommended data taken from expression computed by Parkes, Quinn (1976) - -Verified by MRH on 10Aug2009 - -Entry 44,44(a) - -MRH 31-Aug-2009 - - ---- -461 ---- -[92] Tsang, W. J Phys. Chem. Ref. Data 1990, 19, 1. -Tert-C4H9 + HCO --> tert-C4H9CHO - -pg 7, Chemical Kinetic Database For Combustion Chemistry, Part 4 - Isobutane. - -Index of Reactions and Summary of Recommended Rate Expressions. No. 44,15. - -Verified by Karma James - -pg.36: Discussion on evaluated data - -Entry 44,15(b): No data available at the time. Recommended rate coefficient is based - -on rate of rxn tC4H9+CH3-->adduct, but "slightly smaller" -MRH 31-Aug-2009 - - ---- -462 ---- -[92] Tsang, W. J Phys. Chem. Ref. Data 1990, 19, 1. -Tert-C4H9 + CH3CO --> tert-C4H9COCH3 - -//DOES NOT MATCH! Reference: A = 1.08E+13, E0 = 0, n = -0.75, Database: A = 7.75E+14, E0 = 0, n = -0.75 - -//pg 7, Chemical Kinetic Database For Combustion Chemistry, Part 4 - Isobutane. - -//Index of Reactions and Summary of Recommended Rate Expressions. No. 44,22. - -//Verified by Karma James - -pg. 42 - -Data reported as k = 1.8e-11 * (300/T)^0.75 - -When lumping the 1.8e-11 * 300^0.75, attain A=7.81e+14 -No experimental data, at the time - -Verified by MRH on 10Aug2009 - -Entry 44,22: Recommended rate coefficient computed using geometric mean rule of - -tC4H9+tC4H9-->adduct and CH3CO+CH3CO-->adduct rxns -MRH 31-Aug-2009 - - ---- -463 ---- -[92] Tsang, W. J Phys. Chem. Ref. Data 1990, 19, 1. -Tert-C4H9 + CH3O --> tert-C4H9OCH3 - -pg 8, Chemical Kinetic Database For Combustion Chemistry, Part 4 - Isobutane. - -Index of Reactions and Summary of Recommended Rate Expressions. No. 44,24. - -Verified by Karma James - -pg.42-43: Discussion on evaluated data - -Entry 44,24(b): Rate coefficient calculated using geometric mean rule of tC4H9+tC4H9-->adduct - -and CH3O+CH3O-->adduct rxns -MRH 31-Aug-2009 - - ---- -464 ---- -[171] Fahr, A.; Laufer, A.; Klein, R.; Braun, W. J. Phys. Chem. 1991, 95, 3218. -Absolute value measured directly. Excitation: flash photolysis, analysis : Vis-UV absorption. Original Uncertainty 1.2E+13. - -C2H3 + C2H3 --> (E)-CH2=CHCH=CH2 (Rxn. IIC) - -Verified by Greg Magoon; DA uncertainty updated, as I have done elsewhere; based on Eqs. 3, 6, it looks like a factor of two correction is not needed - ---- -465 ---- -[165] Duran, R. P.; Amorebieta, V. T.; Colussi, A. J. J. Phys. Chem. 1988, 92, 636. -Ab initio. Pressure 0.10-1.0 atm. - -C2H3 +.C2H --> CH2=CHC=CH (Rxn. 25) - -NIST record: http://kinetics.nist.gov/kinetics/Detail?id=1988DUR/AMO636:4 -Verified by Greg Magoon; value confirmed from paper data in Table III; this is presumably high-pressure limit since no pressure-dependence is indicated in the table - ---- -466 ---- -[89] Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -C2H3 + HCO --> CH2=CHCHO - -pg 1099, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 19,15. - -Verified by Karma James - -pg. 1199: Discussion on evaluated data - -Recommended data based on rate expression for CH3+HCO-->CH3CHO - -Authors note that rate expression will be in fall-off region at high temperatures -MRH 28-Aug-2009 - - ---- -467 ---- -[124] Heckmann, E.; Hippler, H.; Troe, J. Symp. Int. Combust. Proc.1996, 26, 543. -Absolute value measured directly. Excitation : thermal, analysis : Vis-UV absorption. - -Phenyl + Phenyl --> Biphenyl - - ---- -468 ---- -[181] Park, J. ; Lin, M. C. J. Phys. Chem. A. 1997, 101, 14 -Absolute value measured directly. Excitation : flash photolysis, analysis : mass spectometry. Original Uncertainty 1.1E+12. - -phenyl + phenyl --> biphenyl (Reaction 1) - -***NHP*** -Verified by Greg Magoon: total pressure ~7 torr; DA uncertainty changed to additive, as reported in paper, and DE0 uncertainty was refined - ---- -469 ---- -[182] Stoeckel, F.; Schuh, M. D.; Goldstein, N.; Atkinson, G.H. Chem. Phys. 1985, 95, 135 -Absolute value measured directly. Excitation : flash photolysis, abalysis : VIS-UV absorption. Original uncertainty 1.2E+13. Pressure: 10 Torr (this is total pressure; see p. 141) - -HCO + HCO --> (CHO)2 - -***NHP*** -Verified by Greg Magoon: the existing k in the rateLibrary appeared to be off by a factor of two, since the paper uses d[HCO]/dt=-k*[HCO]^2; they report k=(5+/-2)*10^-11 molecules^-1*cm^3/s (references 9, 19, and 20 in this paper could have better data); I think in rateLibrary, we should have half of this (2.5 +/- 1), so I have changed the value in the rateLibrary accordingly (with 2nd opinion to confirm from MRH) - ---- -470 ---- -[89] Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -HCO + CH3CO --> CH3COCHO - -pg 1102, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 22,15. - -Verified by Karma James - -pg. 1232: Discussion on evaluated data - -Recommended data is assigned a value of 3x10^-11 cm3/molecule*s (This appears to be - -the default value the authors assign for recombination rxns) -MRH 28-Aug-2009 - - ---- -471 ---- -[89] Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -CH3CO + CH3CO --> (CH3CO)2 - -pg 1103, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 22,22. - -Verified by Karma James - -pg. 1234-1235: Discussion on evaluated data - -Recommended data is assigned based on 5 reported direct measurements of rate coefficient - -MRH 28-Aug-2009 - - ---- -472 ---- -[183] DeMore, W. B.; Sander, S. P.; Golden, D. M.; Hampson, R. F.; Kurylo, M.J.; -Howard, C. J.; Ravishankara, A. R.; Kolb, C. E.; Molina, M .J. JPL publication 97-4 1997, 1. - -(Rate constant is high pressure limit, original uncertainty 6.0E+12) - -[97] Atkinson, R.; Baulch, D. L.; Cox, R. A.; Hampson, R. F., jr.; Kerr, J. A.; Rossi, M. J.; Troe, J. - -J. Phys. Chem. Ref. Data 1997, 26, 1329 - -OH + OH --> H2O2 - -Literature review: OH + OH (+m) --> H2OH - -pg.126: Recommended low-pressure and high-pressure limit rate coefficient - -pg.130 B2: Discussion on evaluated data. - -Authors recommend the fits by Zellner et al. in N2 and by Forster et al. -in 1-150kbar He scaled to N2. RMG stores the high-pressure limit (k_inf) -rate coefficient. -*** High-pressure rate coefficient. *** - -MRH 1-Sept-2009 - - ---- -473 ---- -[89] Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087. -CH3O + CH3O --> CH3OOCH3 - -pg 1105, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 24,24. - -Verified by Karma James - -pg. 1251: Discussion on evaluated data (in theory) - -Online reference does not contain pg. 1251. The following discussion is based -on the information provided in the table on pg. 1105 -Entry 24,24 (b) - -MRH 28-Aug-2009 - - ---- -474 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimation, based on half that recommended by Allara and Shaw [146] for H (rad) and R (rad) recombination reactions - - ---- -475 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimation, based on recommendations of Tsang [92] for CH3 + tC4H9 - - ---- -476 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimation based on half Tsang's [91] recommendation for CH3 + iC3H7 - - ---- -477 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimation for neoC5H11 + iC3H7, similar to tC4H9 + iC4H9 - - ---- -478 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimation based on Tsang's [92] reccomendation for tC4H9 Curran's estimation. About a factor of 2 slower than other - -values from literature for smaller alkyl, based upon the consideration that rate constants decrease with the increasing size of R radical. - - ---- -479 ---- -[159] Curran, H.J.; Pitz, W.J.; Westbrook, C.K.; Dagaut, P.; Boettner, J.-C.; Cathonnet, M. Int. J. Chem. Kinet. 1998, 30, 229. -Curran's estimation in DME modeling for ketohydroperoxide decomposition - -Apparently the number comes from estimate for reverse of Rxn. 337: HO2CH2OCHO -> .OCH2OCHO + .OH (2E13) (p. 234); reverse of Rxn. 191 (p. 238) would also be informative, but it doesn't seem to be disucussed in paper -Verified by Greg Magoon; it is not immediately clear whether this rate constant is for high pressure limit, but based on other references to high pressure limit in the paper, I suspect that it is a high pressure limit value - -*NHP = Not necessarily at high pressure limit - - ---- -480 ---- -[142] Duchovic,R.J; Pettigrew,J D; Welling B; Shipchandler,T. *J. Chem Phys.* **105**, 10367 (1996) http://dx.doi.org/10.1063/1.472992 - -RRK(M) extrapolation. H + O2 --> OH + O - -C.D.W. divided rate expression by 2, to get rate of addition per site. - -Values (4.395E+10 1.00 0 0.45) confirmed to fit table (divided by 2) -by rwest@mit.edu 7-Sep-2009 - -Agreement with experimental data from Cobos et al. -(C. J. Cobos, H. Hippler, and J. Troe, *J. Phys. Chem.* 89, 342, 1985) -was promising **at low pressures**, but -"Significant deviations are observed between theory and experiment as the -high-pressure limit is approached." - -E.g., at 298 K - - "However, the value of - the high-pressure limit rate coefficient at 298.15 K for the - termolecular process computed with TST, model I, and - model II does not agree with the estimated high-pressure - limit value of Cobos et al. at that temperature. TST, - model I, and model II agree with one another, predicting a - value of Log10(k)=-10.7 where the value of the limiting - high-pressure rate coefficient k=2E-11 cm3/molecule/s at 298.15 K, - while Cobos et al. estimate a value of Log10(k)=-10.12 - (that is, k=7.5E-11 cm3/molecule/s)" - -The calculations used the *ab initio* PES of Walch et al., which was the best available in 1991. -(63) Walch, S. P.; Rohlfing, C. M.; Melius, C. F.; Bauschlicher, C. W. J. Chem. Phys. 1988, 88, 6273. -(64) Walch, S. P.; Rohlfing, C. M. J. Chem. Phys. 1989, 91, 2373. -(67) Walch, S. P.; Duchovic, R. J. J. Chem. Phys. 1991, 94, 7068. - -Many extensions and improvements are suggested for future work, which may well -have happened since the paper was published in 1996. Revision of this rate is recommended. - -Moved from R_Addition_MultipleBond on 3-Jun-2010, JDM. - - ---- -481 ---- -[106] Cobos,C.J.;Troe,J.J. Chem. Phys 1985, 83,1010. - -Transition state theory. H+O2 -->HO2 - -C.D.W. divided rate expression by 2, to get rate of addition per site - -Moved from R_Addition_MultipleBond on 3-Jun-2010, JDM. - ---- -482 ---- -We are using a primary R. radical as a methyl radical. The rate comes from n-butyl. - -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. *Combust. Flame* 2002, 129, 253-280. http://dx.doi.org/10.1016/S0010-2180(01)00373-X - -In their study modelling iso-octane oxidation, Curran et al [8] chose to use the rate measured by Lenhardt et al [143] described below. - -[143] Lenhardt, T.M.; McDade, C.E.; Bayes, K.D.; *J. Chem. Phys.* 1980, 72,304 http://dx.doi.org/10.1063/1.438848 - -Rates measurement of **n-butyl** + O2 at 300 K. High pressure limit from flash photolysis experiments. - -C.D.W. divided rate expression by 2, to get rate of addition rate per site, -giving (2.26±0.42)E12 cm3/mole/sec. - - Rate constants for the reaction of four different butyl radicals with molecular oxygen - have been measured **at room temperature**. The radicals were generated by flash photolysis - and their time decay was followed with a photoionization mass spectrometer. The radical - concentrations were kept low to avoid complications from radical–radical reactions. - Radical lifetimes were long, up to 50 msec, thus assuring that thermalized radicals were being studied. - - The rate constants, in units of 10E−11 cm3/molecule/sec, are: - - * **n-butyl (0.75±0.14); (gives (2.26±0.42)E12 cm3/mole/sec when divided by 2 to get rate per site)** - * s-butyl (1.66±0.22); (gives (5.00±0.66)E12 cm3/mole/sec when divided by 2 to get rate per site) - * t-butyl (2.34±0.39); (gives (7.05±1.17)E12 cm3/mole/sec when divided by 2 to get rate per site) - * 3-hydroxy s-butyl (2.8±1.8). (gives (8.43±5.42)E12 cm3/mole/sec when divided by 2 to get rate per site) - - No pressure dependence of the rate constants was observed over the range 1 to 4 Torr. - -Because radical addition to a double bond is probably barrierless, the temperature range 300-1500K -has been assigned although the rate was only measured at 300K. -rwest@mit.edu 7-Sep-2009 - -Moved from R_Addition_MultipleBond on 3-Jun-2010, JDM. - ---- -483 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. *Combust. Flame* 2002, 129, 253-280. http://dx.doi.org/10.1016/S0010-2180(01)00373-X - -In their study modelling iso-octane oxidation, Curran et al [8] chose to use the rate measured by Lenhardt et al [143] described below. - -[143] Lenhardt, T.M.; McDade, C.E.; Bayes, K.D.; *J. Chem. Phys.* 1980, 72,304 http://dx.doi.org/10.1063/1.438848 - -Rates measurement of **n-butyl** + O2 at 300 K. High pressure limit from flash photolysis experiments. -C.D.W. divided rate expression by 2, to get rate of addition rate per site, -giving (2.26±0.42)E12 cm3/mole/sec. - - Rate constants for the reaction of four different butyl radicals with molecular oxygen - have been measured **at room temperature**. The radicals were generated by flash photolysis - and their time decay was followed with a photoionization mass spectrometer. The radical - concentrations were kept low to avoid complications from radical–radical reactions. - Radical lifetimes were long, up to 50 msec, thus assuring that thermalized radicals were being studied. - - The rate constants, in units of 10E−11 cm3/molecule/sec, are: - - * n-butyl (0.75±0.14); (gives (2.26±0.42)E12 cm3/mole/sec when divided by 2 to get rate per site) - * s-butyl (1.66±0.22); (gives (5.00±0.66)E12 cm3/mole/sec when divided by 2 to get rate per site) - * t-butyl (2.34±0.39); (gives (7.05±1.17)E12 cm3/mole/sec when divided by 2 to get rate per site) - * 3-hydroxy s-butyl (2.8±1.8). (gives (8.43±5.42)E12 cm3/mole/sec when divided by 2 to get rate per site) - - No pressure dependence of the rate constants was observed over the range 1 to 4 Torr. - -Because radical addition to a double bond is probably barrierless, the temperature range 300-1500K -has been assigned although the rate was only measured at 300K. - -rwest@mit.edu 7-Sep-2009 - -Moved from R_Addition_MultipleBond on 3-Jun-2010, JDM. - ---- -484 ---- - -Lenhardt [143] measured (10.0±1.3)E12 cm3/mole/sec (at 300K, high pressure limit, from flash photolysis experiments.) -Atkinson [96], in their review, recommend 6.62E12 cm3/mole/sec. (according to Curran [8]). -Curran [8], in their modelling paper, refer to both these and chose and "intermediate" value of 7.54E12 cm3/mol/sec. - -Curran [8] is the rate adopted here, giving 3.77E+12 cm3/mole/sec when divided by two to give the rate of addition per site. -The uncertainty of 1E12 cm3/mole/sec was estimated from these values - - * [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. *Combust. Flame* 2002, 129, 253-280. http://dx.doi.org/10.1016/S0010-2180(01)00373-X - * [96] Atkinson,R; Baulch,D. L.; Cox R.A.;Hampson,R.F.,Jr.;Kerr,J.A;Rossi,M.J.;Troe,J. *J Phys. Chem. Ref. Data* 1997,26,521. - * [143] Lenhardt,T.M.;McDade,C.E.;Bayes,K.D.; *J. Chem Phys* 1980, 72,304 http://dx.doi.org/10.1063/1.438848 - -Because radical addition to a double bond is probably barrierless, the temperature range 300-1500K -has been assigned although the rate was only measured/estimated at 300K. - -rwest@mit.edu 7-Sep-2009 - -Moved from R_Addition_MultipleBond on 3-Jun-2010, JDM. - ---- -485 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. *Combust. Flame* 2002, 129, 253-280. http://dx.doi.org/10.1016/S0010-2180(01)00373-X - -In their study modelling iso-octane oxidation, Curran et al [8] chose to use the rate measured by Lenhardt et al [143] described below. - -[143] Lenhardt, T.M.; McDade, C.E.; Bayes, K.D.; *J. Chem. Phys.* 1980, 72,304 http://dx.doi.org/10.1063/1.438848 - -Rates measurement of **t-butyl** + O2 at 300 K. High pressure limit from flash photolysis experiments. -C.D.W. divided rate expression by 2, to get rate of addition rate per site, -giving (7.05±1.17)E12 cm3/mole/sec. - - Rate constants for the reaction of four different butyl radicals with molecular oxygen - have been measured **at room temperature**. The radicals were generated by flash photolysis - and their time decay was followed with a photoionization mass spectrometer. The radical - concentrations were kept low to avoid complications from radical–radical reactions. - Radical lifetimes were long, up to 50 msec, thus assuring that thermalized radicals were being studied. - - The rate constants, in units of 10E−11 cm3/molecule/sec, are: - - * n-butyl (0.75±0.14); (gives (2.26±0.42)E12 cm3/mole/sec when divided by 2 to get rate per site) - * s-butyl (1.66±0.22); (gives (5.00±0.66)E12 cm3/mole/sec when divided by 2 to get rate per site) - * **t-butyl (2.34±0.39); (gives (7.05±1.17)E12 cm3/mole/sec when divided by 2 to get rate per site)** - * 3-hydroxy s-butyl (2.8±1.8). (gives (8.43±5.42)E12 cm3/mole/sec when divided by 2 to get rate per site) - - No pressure dependence of the rate constants was observed over the range 1 to 4 Torr. - -Because radical addition to a double bond is probably barrierless, the temperature range 300-1500K -has been assigned although the rate was only measured at 300K. - -rwest@mit.edu 7-Sep-2009 - -Moved from R_Addition_MultipleBond on 3-Jun-2010, JDM. - ---- -486 ---- -[144] Bozzelli,J.W. J phys. Chem 1993, 97,4427. -RRKM extrapolation (adjusted to match data).O2 +CH = CH2CHOO. C.D.W. divided rate expression by 2, to get rate of addition per site - -Moved from R_Addition_MultipleBond on 3-Jun-2010, JDM. - ---- -487 ---- -Estimated to be the same as Cd_pri_rad+O2. - -Moved from R_Addition_MultipleBond on 3-Jun-2010, JDM. - ---- -488 ---- -[145] Yu,T.; Lin, M.C.J. Am. Chem.Soc.1994,116,9571. -O2+ phenyl --> phenyl dioxy. Absolute value measured directly. Pressure 0.03-0.11 atm. Excitation: Flash photolysis, analysis: Vis- UV absorption. C.D.W. divided rate epxression by 2, to get rate of addition per site - -Moved from R_Addition_MultipleBond on 3-Jun-2010, JDM. - ---- -489 ---- -[144] Bozzelli,J.W. J Phys. Chem. 1993, 97 , 4427. -RRKM extrapolation. O2 +HCO -->HC(O)O2. C.D.W. divided rate expression by 2, to get rate of addition per site - -Moved from R_Addition_MultipleBond on 3-Jun-2010, JDM. - ---- -490 ---- -[96] Atkinson,R; Baulch,D. L.; Cox R.A.;Hampson,R.F.,Jr.;Kerr,J.A;Rossi,M.J.;Troe,J.J Phys. Chem. Ref. Data 1997,26,521. -literature review. Rate constant is high pressure limit. O2+ CH3CO --> CH3C(O)OO C.D.W. divided rate expression by 2, to get rate of addition per site - -Moved from R_Addition_MultipleBond on 3-Jun-2010, JDM. - ---- -491 ---- -MRH estimate - -A reasonable estimate for the total k_inf(T) for the recombination of H radical with a heavy atom -is a temperature-independent 1e+14 cm3 mol-1 s-1. HOWEVER, the value I choose to store in the database -is 1e+13 cm3 mol-1 s-1, because this is the single-event value. Not knowing what species RMG will find -in trying this estimate, I want to fail on the low side. - -Using a hydrogen on a primary carbon as an example: Ethane has a multiplicity of six, iso-butane has a -multiplicity of nine, and neo-pentane has a multiplicity of 12. Using the 1e+13 cm3 mol-1 s-1 with any -of these multiplicities will not result in ridiculously fast kinetics. The purpose of adding entries -491 and 492 are to reduce the chance RMG sends ridiculously fast high-P-limit kinetics to fame, thereby -giving us ridiculously fast k(T,P) in our chem.inp files and causing stiffness issues in flame solvers. - -NOTE TO RMG USERS: If your model proves to be sensitive to the kinetics of the H+R(+M)=H-R(+M), I would -encourage you to run a fame job separately, with the 1e+14 cm3 mol-1 s-1 as the total k(T) (if no better -estimate is known). - ---- -492 ---- -MRH estimate - -A reasonable estimate for the total k_inf(T) for the recombination of two heavy atom radicals is a -temperature-independent 1e+13 cm3 mol-1 s-1. The actual high-P-limit k(T) sent to fame may be slightly -larger (e.g. neo-pentane has a multiplicity of four for breaking a C-CH3 bond) but this is still -reasonable. - -[Please read the comments for entry 491 - Y_rad + H_rad - for more background on the matter]. \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/R_Recombination/dictionary.txt b/output/RMG_database/kinetics_groups/R_Recombination/dictionary.txt deleted file mode 100755 index a64a431f70..0000000000 --- a/output/RMG_database/kinetics_groups/R_Recombination/dictionary.txt +++ /dev/null @@ -1,501 +0,0 @@ -//f06 : radical recombination (C.D.W. last modified : 1/24/03) -// SR, JS, get rid of biradical, 1/28/03 -// SR checked this on 1/31/2003 - -Y_rad -1 * R 1 - -H_rad -1 * H 1 - -Cs_rad -1 * C 1 {2,S}, {3,S}, {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -C_methyl -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C_pri_rad -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H2/Cs -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H2/Cd -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cd 0 {1,S} - -C_rad/H2/Ct -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Ct 0 {1,S} - -C_rad/H2/Cb -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cb 0 {1,S} - -C_rad/H2/CO -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 CO 0 {1,S} - -C_rad/H2/O -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} - -C_sec_rad -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H/NonDeC -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/NonDeO -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/H/CsO -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 O 0 {1,S} - -C_rad/H/O2 -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 O 0 {1,S} -4 O 0 {1,S} - -C_rad/H/OneDe -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/H/OneDeC -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/CdCs -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/CtCs -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/OneDeO -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} - -C_rad/H/TwoDe -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -C_rad/H/CdCd -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Cd 0 {1,S} -4 Cd 0 {1,S} - -C_ter_rad -1 * C 1 {2,S}, {3,S}, {4,S} -2 {R!H} 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/NonDeC -1 * C 1 {2,S}, {3,S}, {4,S} -2 {Cs,O} 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/Cs3 -1 * C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/NDMustO -1 * C 1 {2,S}, {3,S}, {4,S} -2 O 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/OneDe -1 * C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/Cs2 -1 * C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/ODMustO -1 * C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/TwoDe -1 * C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/Cs -1 * C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -C_rad/TDMustO -1 * C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} - -C_rad/ThreeDe -1 * C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_rad -1 * C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -Cd_pri_rad -1 * C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -Cd_sec_rad -1 * C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {R!H} 0 {1,S} - -Cd_rad/NonDe -1 * C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {Cs,O} 0 {1,S} - -Cd_rad/OneDe -1 * C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_rad/Cd -1 * C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S} - -Ct_rad -1 * C 1 {2,T} -2 C 0 {1,T} - -Cb_rad -1 * Cb 1 {2,B}, {3,B} -2 {Cb,Cbf} 0 {1,B} -3 {Cb,Cbf} 0 {1,B} - -CO_rad -1 * C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 R 0 {1,S} - -CO_pri_rad -1 * C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 H 0 {1,S} - -CO_sec_rad -1 * C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {R!H} 0 {1,S} - -CO_rad/NonDe -1 * C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cs,O} 0 {1,S} - -CO_rad/OneDe -1 * C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -O_rad -1 * O 1 {2,S} -2 R 0 {1,S} - -O_pri_rad -1 * O 1 {2,S} -2 H 0 {1,S} - -O_sec_rad -1 * O 1 {2,S} -2 {R!H} 0 {1,S} - -O_rad/NonDe -1 * O 1 {2,S} -2 {Cs,O} 0 {1,S} - -O_rad/OneDe -1 * O 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -O2_birad -1 * O 1 {2,S} -2 O 1 {1,S} - -// Radicals C and S, Aaron Vandeputte, August 3rd 2009 - -CsJ-SsHH -1 * C 1 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CSH -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CsSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CdSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} {5,D} -3 Ss 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CtSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CbSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Cb 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-C=SSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} {5,D} -3 Ss 0 {1,S} -4 H 0 {1,S} -5 Sd 0 {2,D} - -CsJ-SsSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CCS -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCdSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cd 0 {1,S} {5,D} -4 Ss 0 {1,S} -5 C 0 {3,D} - -CsJ-CsCtSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Ct 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCbSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cb 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsC=SSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cd 0 {1,S} {5,D} -4 Ss 0 {1,S} -5 Sd 0 {3,D} - -CsJ-CSS -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} {5,D} -3 Ss 0 {1,S} -4 Ss 0 {1,S} -5 C 0 {2,D} - -CsJ-CtSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CbSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cb 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-C=SSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} {5,D} -3 Ss 0 {1,S} -4 Ss 0 {1,S} -5 Sd 0 {2,D} - -CsJ-SsSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CdsJ-Ss -1 * Cd 1 {2,S} -2 Ss 0 {1,S} - -C=SJ -1 * Cd 1 {2,D} {3,S} -2 Sd 0 {1,D} -3 R 0 {1,S} - -C=SJ-H -1 * Cd 1 {2,S} {3,D} -2 H 0 {1,S} -3 Sd 0 {1,D} - -C=SJ-C -1 * Cd 1 {2,S} {3,D} -2 C 0 {1,S} -3 Sd 0 {1,D} - -C=SJ-Cs -1 * Cd 1 {2,S} {3,D} -2 Cs 0 {1,S} -3 Sd 0 {1,D} - -C=SJ-Ss -1 * Cd 1 {2,S} {3,D} -2 Ss 0 {1,S} -3 Sd 0 {1,D} - -//S_rad -//Union {SJ, SJJ} -S_rad -1 * S 1 - -SJ -1 * Ss 1 - -SsJ-H -1 * Ss 1 {2,S} -2 H 0 {1,S} - -SsJ-C -1 * Ss 1 {2,S} -2 C 0 {1,S} - -SsJ-Cs -1 * Ss 1 {2,S} -2 Cs 0 {1,S} - -SsJ-Cd -1 * Ss 1 {2,S} -2 Cd 0 {1,S} {3,D} -3 C 0 {2,D} - -SsJ-Ct -1 * Ss 1 {2,S} -2 Ct 0 {1,S} - -SsJ-Cb -1 * Ss 1 {2,S} -2 Cb 0 {1,S} - -SsJ-C=S -1 * Ss 1 {2,S} -2 Cd 0 {1,S} {3,D} -3 Sd 0 {2,D} - -SsJ-Ss -1 * Ss 1 {2,S} -2 Ss 0 {1,S} - -SsJ-Os -1 * Ss 1 {2,S} -2 Os 0 {1,S} - -//SJJ -//1 * S 2 diff --git a/output/RMG_database/kinetics_groups/R_Recombination/forbiddenGroups.txt b/output/RMG_database/kinetics_groups/R_Recombination/forbiddenGroups.txt deleted file mode 100644 index 4ffe6e9810..0000000000 --- a/output/RMG_database/kinetics_groups/R_Recombination/forbiddenGroups.txt +++ /dev/null @@ -1,7 +0,0 @@ -O4 -1 O 1 {2,S} -2 *1 O 0 {1,S} {3,S} -3 *2 O 0 {2,S} {4,S} -4 O 1 {3,S} - - diff --git a/output/RMG_database/kinetics_groups/R_Recombination/rateLibrary.txt b/output/RMG_database/kinetics_groups/R_Recombination/rateLibrary.txt deleted file mode 100755 index 63fac4bc13..0000000000 --- a/output/RMG_database/kinetics_groups/R_Recombination/rateLibrary.txt +++ /dev/null @@ -1,122 +0,0 @@ -// rate library for f06: radical recombination -// Originally from rate_library_4.txt, Cath, 03/07/28 - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// Catherina Wijaya thesis pg 156 -//f06_radical_recombination - -//No. Y_rad Y_rad Temp. A n a E0 DA Dn Da DE0 Rank Comments -424. Y_rad Y_rad 300-1500 1E+13 0 0 0 0 0 0 0 0 Default -425. H_rad H_rad 278-372 1.09E+11 0 0 1.50 0 0 0 0 5 Dingle et al. [167] -426. H_rad C_methyl 300-2000 1.93E+14 0 0 0.27 0 0 0 0 3 Takahashi et al. [168] Transition state theory. -427. H_rad C_methyl 300-1000 2.11E+14 0 0 0 *2.0 0 0 0 4 Baulch et al. [94] literature review. -428. H_rad C_rad/H2/Cs 298 1.0E+14 0 0 0 1.0E+13 0 0 0 5 Sillensen et al [169] -429. H_rad C_rad/H/NonDeC 300-2000 2.0E+13 0 0 0 *3.16 0 0 0 4 Warnatz [134] literature review. -430. H_rad C_rad/H/NonDeC 298 1.5E+14 0 0 0 0.3E+14 0 0 0 5 Munk et al. [170] -431. H_rad Cd_pri_rad 298 1.21E+14 0 0 0 4.82E+13 0 0 0 3 Fahr et al. [171] -432. H_rad Cd_pri_rad 700-1300 5.36E+14 0 0 0.98 0 0 0 0 3 Duran et al. [165] -433. H_rad Ct_rad 300-2500 1.81E+14 0 0 0 *3 0 0 0 4 Tsang [89] literature review. -434. H_rad Cb_rad 300-1200 2.2E+14 0 0 0 0.8E+14 0 0 0 3 Davis et al. [172] Ackermann et al. [173] Emdee et al. [172b] -435. H_rad CO_pri_rad 1500-1900 4.68E+10 0 0 -4.53 0 0 0 0 4 Tsuboi et al. [174] -436. H_rad O_pri_rad 300-2100 1.62E+14 0 0 0.15 0 0 0 0 3 Cobos et al. [106] -437. C_methyl C_methyl 300-2000 8.26E+17 -1.40 0 1.00 0 0 0 0 3 Pesa et al. [175] -438. C_methyl C_methyl 300-2000 3.61E+13 0 0 0 *2.0 0 0 0 4 Baulch et al. [94] literature review. -439. C_methyl C_rad/H2/Cs 300-2000 3.37E+13 0 0 0 *2.0 0 0 0 4 Baulch et al. [94] literature review. -440. C_methyl C_rad/H/NonDeC 713-1800 6.64E+14 -0.57 0 0 0 0 0 0 4 Tsang [176] RRK(M) extrapolation. -//441. C_methyl C_rad/Cs3 300-2500 1.63E+13 0 0 -0.60 *2.0 0 0 0 4 Tsang [92] literature review. -441. C_methyl C_rad/Cs3 300-2500 4.88E+15 -1 0 0 *2.0 0 0 0 4 Tsang [92] literature review. -442. C_methyl Cd_pri_rad 298 7.23E+13 0 0 0 1.81E+13 0 0 0 3 Fahr et al. [171] -443. C_methyl Cb_rad 300-980 1.38E+13 0 0 0.046 0.08E+13 0 0 0.072 3 Tokmakov et al. [177] -444. C_methyl Cb_rad 424-972 1.39E+13 0 0 0.03 0.07E+13 0 0 0.070 3 Park et al. [178] -445. C_methyl CO_pri_rad 300-2500 1.81E+13 0 0 0 *2.0 0 0 0 4 Tsang [89] literature review. -446. C_methyl CO_rad/NonDe 298 4.2E+13 0 0 0 8.4E+12 0 0 0 4 Hassinen et al [179] -447. C_methyl CO_rad/NonDe 300-2500 4.04E+15 -0.80 0 0 *1.5 0 0 0 4 Tsang [89] literature review. -448. C_methyl O_pri_rad 300-2000 6.03E+13 0 0 0 *2.0 0 0 0 4 Baulch et al. [94] literature review. -449. C_methyl O_rad/NonDe 300-2500 1.21E+13 0 0 0 *5.0 0 0 0 4 Tsang [89] literature review. -450. C_rad/H2/Cs C_rad/H2/Cs 300-1200 1.15E+13 0 0 0 *2.0 0 0 0 4 Baulch et al. [95] literature review. -451. C_rad/H2/Cs C_rad/H/NonDeC 300-2500 1.15E+14 -0.35 0 0 *2.0 0 0 0 4 Tsang [91] literature review. -452. C_rad/H2/Cs C_rad/Cs3 300-2500 6.91E+14 -0.75 0 0 *2.0 0 0 0 4 Tsang [92] literature review. -453. C_rad/H2/Cs CO_pri_rad 300-2500 1.81E+13 0 0 0 *3.0 0 0 0 4 Tsang [89] literature review. -454. C_rad/H2/Cs CO_rad/NonDe 300-2500 3.12E+14 -0.50 0 0 *3.0 0 0 0 4 Tsang [89] literature review. -455. C_rad/H2/Cs O_pri_rad 200-400 7.7E+13 0 0 0 1E+13 0 0 0 4 Fagerstrom et al. [180] -456. C_rad/H/NonDeC C_rad/H/NonDeC 300-2500 3.25E+14 -0.70 0 0 *2.0 0 0 0 4 Tsang [91] literature review. -457. C_rad/H/NonDeC C_rad/Cs3 300-2500 4.12E+15 -1.10 0 0 *1.5 0 0 0 4 Tsang [92] literature review. -458. C_rad/H/NonDeC CO_rad/NonDe 300-2500 6.64E+13 -0.35 0 0 *2.0 0 0 0 4 Tsang [91] literature review. -459. C_rad/H/NonDeC O_rad/NonDe 300-2500 6.03E+12 0 0 0 *5.0 0 0 0 4 Tsang [91] literature review. -460. C_rad/Cs3 C_rad/Cs3 300-2500 1.24E+16 -1.50 0 0 *2.0 0 0 0 4 Tsang [92] literature review. -461. C_rad/Cs3 CO_pri_rad 300-2500 1.21E+13 0 0 0 *5.0 0 0 0 4 Tsang [92] literature review. -462. C_rad/Cs3 CO_rad/NonDe 300-2500 7.75E+14 -0.75 0 0 *2.0 0 0 0 4 Tsang [92] literature review. -463. C_rad/Cs3 O_rad/NonDe 300-2500 9.04E+12 0 0 0 *3.0 0 0 0 4 Tsang [92] literature review. -464. Cd_pri_rad Cd_pri_rad 298 7.23E+13 0 0 0 1.2E+13 0 0 0 4 Fahr et al. [171] -465. Cd_pri_rad Ct_rad 700-1300 1.0E+14 0 0 0 0 0 0 0 3 Duran et al. [165] -466. Cd_pri_rad CO_pri_rad 300-2500 1.81E+13 0 0 0 *3.0 0 0 0 4 Tsang [89] literature review. -467. Cb_rad Cb_rad 1100-1400 5.7E+12 0 0 0 0 0 0 0 3 Heckmann et al. [124] -468. Cb_rad Cb_rad 300-500 1.39E+13 0 0 0.11 0.11E+13 0 0 0.072 3 Park et al. [181] -469. CO_pri_rad CO_pri_rad 298 1.51E+13 0 0 0 6.02E+12 0 0 0 3 Stoeckel et al. [182] -470. CO_pri_rad CO_rad/NonDe 300-2500 1.81E+13 0 0 0 *3.0 0 0 0 4 Tsang [89] literature review. -471. CO_rad/NonDe CO_rad/NonDe 300-2500 1.21E+13 0 0 0 *2.0 0 0 0 4 Tsang [89] literature review. -472. O_pri_rad O_pri_rad 200-400 1.57E+13 0 0 0 6.02E+12 0.5 0 0 4 DeMore et al. [183] literature review. -473. O_rad/NonDe O_rad/NonDe 300-2500 1.81E+12 0 0 0 *5.0 0 0 0 4 Tsang [89] literature review. -474. H_rad Cs_rad 300-1500 5E+13 0 0 0 0 0 0 0 5 Curran's [8] estimation. -475. C_methyl C_ter_rad 300-1500 1.63E+13 0 0 0.596 0 0 0 0 5 Curran's [8] estimation. -476. C_methyl C_sec_rad 300-1500 6.80E+14 -0.68 0 0 0 0 0 0 5 Curran's [8] estimation. -477. C_pri_rad C_sec_rad 300-1500 4.79E+14 -0.75 0 0 0 0 0 0 5 Curran's [8] estimation. -478. C_pri_rad C_ter_rad 300-1500 3.59E+14 -0.75 0 0 0 0 0 0 5 Curran's [8] estimation. -479. O_pri_rad O_sec_rad 300-1500 2.0E+13 0 0 0 0 0 0 0 5 Curran's [159] estimation. -480. O2_birad H_rad 298-6000 4.395E+10 1.00 0 0.45 0 0 0 0 4 Duchovic et al. [142] RRK(M) extrapolation. Probably could do better. -481. O2_birad H_rad 300-1500 8.15E+12 0 0 0.76 0 0 0 0 3 Cobos, C.J and Troe, J. [106] Transition state theory. -482. O2_birad C_methyl 300-1500 2.26E+12 0 0 0 4.2E11 0 0 0 5 Curran et al. [8] From Lenhardt et al. [143]. (Measured at 300K) (n-butyl not methyl) -483. O2_birad C_pri_rad 300-1500 2.26E+12 0 0 0 4.2E11 0 0 0 5 Curran et al. [8] From Lenhardt et al. [143]. (Measured at 300K) -484. O2_birad C_sec_rad 300-1500 3.77E+12 0 0 0 1.0E12 0 0 0 5 Curran et al. [8]. (Estimated at 300K) -485. O2_birad C_ter_rad 300-1500 7.05E+12 0 0 0 1.17E12 0 0 0 5 Curran et al. [8] From Lenhardt et al. [143]. (Measured at 300K) -486. O2_birad Cd_pri_rad 300-1500 3.0E+12 0 0 0 0 0 0 0 4 Bozzelli et al. [144] RRKM extrapolation ( adjusted to match data). -//487. O2_birad Ct_rad 300-1500 3.0E+12 0 0 0 0 0 0 0 0 estimated to be the same as Cd_pri_rad + O2. -488. O2_birad Cb_rad 297-473 3.015E+12 0 0 0.32 *1.2 0 0 0.13 3 Yu, T. and Lin, M.C. [145] -489. O2_birad CO_pri_rad 300-2500 3.5E+12 0 0 0 0 0 0 0 4 Bozzelli et al. [144] RRKM extrapolation. -490. O2_birad CO_rad/NonDe 200-300 1.505E+12 0 0 0 *3.16 0 0 0 4 Atkinson et al [96] literature review. -491. Y_rad H_rad 300-1500 1.000E+13 0 0 0 0 0 0 0 1 MRH estimate -492. Y_rad Y_rad 300-1500 1.000E+13 0 0 0 0 0 0 0 1 MRH estimate -491. SsJ-Ss C_methyl 300-1500 6.44E+09 1.19 0.00 0.51 0 0 0 0 5 A.G. Vandeputte -492. SsJ-Cs SsJ-Cs 300-1500 4.36E+10 1.30 0.00 -0.88 0 0 0 0 5 A.G. Vandeputte -493. CsJ-SsHH H_rad 300-1500 8.20E+11 0.68 0.00 0.07 0 0 0 0 5 A.G. Vandeputte -494. SsJ-H H_rad 300-1500 2.53E+13 0.56 0.00 -0.02 0 0 0 0 5 A.G. Vandeputte -495. H_rad C_rad/H2/Cd 200-2000 2.92E+13 0.18 0.0 0.124 0 0 0 0 3 Harding et al. (2007HAR/KLI3789-3801), value devided by 2 to account for two addition sites -496. H_rad C_rad/H/OneDeC 200-2000 2.92E+13 0.18 0.0 0.124 0 0 0 0 5 Estimated by 495 -497. H_rad C_rad/OneDe 200-2000 2.92E+13 0.18 0.0 0.124 0 0 0 0 5 Estimated by 495 -498. H_rad C_rad/TwoDe 200-2000 2.92E+13 0.18 0.0 0.124 0 0 0 0 5 Estimated by 495 -499. C_rad/H2/Cd C_rad/H2/Cd 300-2500 1.02E+13 0.00 0.0 -0.26 0 0 0 0 4 Tsang (1991) Chemical kinetic data base for combustion chemistry. Part V. Propene Literature review -500. C_rad/H2/Cd C_rad/H2/Cs 300-2500 2.05E+13 0.00 0.0 -0.13 0 0 0 0 4 Tsang (1991) Chemical kinetic data base for combustion chemistry. Part V. Propene Literature review -501. C_rad/H2/Cd C_methyl 300-2500 1.02E+14 -0.32 0.0 -0.13 0 0 0 0 4 Tsang (1991) Chemical kinetic data base for combustion chemistry. Part V. Propene Literature review -502. C_rad/H2/Cd C_rad/H/NonDeC 300-2500 1.15E+14 -0.35 0.0 -0.13 0 0 0 0 4 Tsang (1991) Chemical kinetic data base for combustion chemistry. Part V. Propene Literature review -503. C_rad/H2/Cd C_rad/Cs3 300-2500 7.24E+14 -0.75 0.0 -0.13 0 0 0 0 4 Tsang (1991) Chemical kinetic data base for combustion chemistry. Part V. Propene Literature review -504. C_rad/H2/Cd C_rad/H/CdCd 300-2500 1.02E+13 0.00 0.0 -0.26 0 0 0 0 5 Better estimate then averaging out, Tsang (1991) Chemical kinetic data base for combustion chemistry. Part V. Propene Literature review - -3000 H_rad SsJ-H 300-1500 5.77E+15 0 0 0.43 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3001 C_methyl SsJ-H 300-1500 4.41E+14 0 0 0.29 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3002 C_rad/H2/Cs SsJ-H 300-1500 1.87E+14 0 0 1.14 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3003 C_rad/H/NonDeC SsJ-H 300-1500 3.75E+13 0 0 1.72 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3004 C_rad/NonDeC SsJ-H 300-1500 3.26E+13 0 0 1.59 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3005 Cd_pri_rad SsJ-H 300-1500 1.43E+14 0 0 1.31 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3006 Cd_rad/NonDe SsJ-H 300-1500 9.81E+13 0 0 1.40 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3007 Cd_rad/Cd SsJ-H 300-1500 9.84E+13 0 0 1.70 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3009 C_rad/H2/Cd SsJ-H 300-1500 1.71E+14 0 0 0.07 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3010 C_rad/H/CdCs SsJ-H 300-1500 4.67E+13 0 0 -0.55 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3011 C_rad/H/CdCd SsJ-H 300-1500 1.19E+14 0 0 0.36 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3012 C_rad/H2/Ct SsJ-H 300-1500 5.26E+14 0 0 0.21 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3013 C_rad/H/CtCs SsJ-H 300-1500 8.99E+13 0 0 0.45 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3016 H_rad SsJ-Cs 300-1500 9.42E+14 0 0 1.74 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3017 C_methyl SsJ-Cs 300-1500 7.21E+13 0 0 0.29 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3018 C_rad/H2/Cs SsJ-Cs 300-1500 3.05E+13 0 0 1.14 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3019 C_rad/H/NonDeC SsJ-Cs 300-1500 6.13E+12 0 0 1.72 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3020 C_rad/NonDeC SsJ-Cs 300-1500 5.33E+12 0 0 1.59 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3021 Cd_pri_rad SsJ-Cs 300-1500 2.33E+13 0 0 1.31 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3022 Cd_rad/NonDe SsJ-Cs 300-1500 1.60E+13 0 0 1.40 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3023 Cd_rad/Cd SsJ-Cs 300-1500 1.61E+13 0 0 1.70 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3025 C_rad/H2/Cd SsJ-Cs 300-1500 2.80E+13 0 0 0.07 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3026 C_rad/H/CdCs SsJ-Cs 300-1500 7.63E+12 0 0 -0.55 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3027 C_rad/H/CdCd SsJ-Cs 300-1500 1.94E+13 0 0 0.36 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3028 C_rad/H2/Ct SsJ-Cs 300-1500 8.59E+13 0 0 0.21 0 0 0 0 3 GA Jonas x 3 for spinorbit -//3029 C_rad/H/CtCs SsJ-Cs 300-1500 1.47E+13 0 0 0.45 0 0 0 0 3 GA Jonas x 3 for spinorbit - diff --git a/output/RMG_database/kinetics_groups/R_Recombination/reactionAdjList.txt b/output/RMG_database/kinetics_groups/R_Recombination/reactionAdjList.txt deleted file mode 100755 index 01b219763b..0000000000 --- a/output/RMG_database/kinetics_groups/R_Recombination/reactionAdjList.txt +++ /dev/null @@ -1,21 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 29, 2003 // -// // -////////////////////////////////////////////////////// - - -// f06 Radical Recombination - -Y_rad + Y_rad -> Y_Y - -forward -reverse(f08): Bond_Dissociation - -Actions 1 -(1) FORM_BOND {*1,S,*2} -(2) LOSE_RADICAL {*1,1} -(3) LOSE_RADICAL {*2,1} - diff --git a/output/RMG_database/kinetics_groups/R_Recombination/tree.txt b/output/RMG_database/kinetics_groups/R_Recombination/tree.txt deleted file mode 100755 index a18e8e1a5e..0000000000 --- a/output/RMG_database/kinetics_groups/R_Recombination/tree.txt +++ /dev/null @@ -1,97 +0,0 @@ -//f06 : radical recombination (C.D.W. last modified : Aug, 1, 2003) -// SR, JS, get rid of biradical, 1/28/03 -// SR checked on 1/31/2003 - -// f06_Radical Recombination - -L1: Y_rad - L2: H_rad - L2: Cs_rad - L3: C_methyl - L3: C_pri_rad - L4: C_rad/H2/Cs - L4: C_rad/H2/Cd - L4: C_rad/H2/Ct - L4: C_rad/H2/Cb - L4: C_rad/H2/CO - L4: C_rad/H2/O - L4: CsJ-SsHH - L3: C_sec_rad - L4: C_rad/H/NonDeC - L4: C_rad/H/NonDeO - L5: C_rad/H/CsO - L5: C_rad/H/O2 - L4: C_rad/H/OneDe - L5: C_rad/H/OneDeC - L6: C_rad/H/CdCs - L6: C_rad/H/CtCs - L5: C_rad/H/OneDeO - L4: C_rad/H/TwoDe - L5: C_rad/H/CdCd - L4: CsJ-CSH - L5: CsJ-CsSsH - L5: CsJ-CdSsH - L5: CsJ-CtSsH - L5: CsJ-CbSsH - L5: CsJ-C=SSsH - L4: CsJ-SsSsH - L3: C_ter_rad - L4: C_rad/NonDeC - L5: C_rad/Cs3 - L5: C_rad/NDMustO - L4: C_rad/OneDe - L5: C_rad/Cs2 - L5: C_rad/ODMustO - L4: C_rad/TwoDe - L5: C_rad/Cs - L5: C_rad/TDMustO - L4: C_rad/ThreeDe - L4: CsJ-CSS - L5: CsJ-CsSsSs - L5: CsJ-CdSsSs - L5: CsJ-CtSsSs - L5: CsJ-CbSsSs - L5: CsJ-C=SSsSs - L4: CsJ-CCS - L5: CsJ-CsCsSs - L5: CsJ-CsCdSs - L5: CsJ-CsCtSs - L5: CsJ-CsCbSs - L5: CsJ-CsC=SSs - L4: CsJ-SsSsSs - L2: Cd_rad - L3: Cd_pri_rad - L3: Cd_sec_rad - L4: Cd_rad/NonDe - L4: Cd_rad/OneDe - L5: Cd_rad/Cd - L2: Ct_rad - L2: Cb_rad - L2: CO_rad - L3: CO_pri_rad - L3: CO_sec_rad - L4: CO_rad/NonDe - L4: CO_rad/OneDe - L2: C=SJ - L3: C=SJ-H - L3: C=SJ-C - L4: C=SJ-Cs - L3: C=SJ-Ss - L2: O_rad - L3: O_pri_rad - L3: O_sec_rad - L4: O_rad/NonDe - L4: O_rad/OneDe - L2: O2_birad - L2: S_rad - L3: SJ - L4: SsJ-H - L4: SsJ-C - L5: SsJ-Cs - L5: SsJ-Cd - L5: SsJ-Ct - L5: SsJ-Cb - L5: SsJ-C=S - L4: SsJ-Ss - L4: SsJ-Os -// L3: SJJ diff --git a/output/RMG_database/kinetics_groups/SubstitutionS/dictionary.txt b/output/RMG_database/kinetics_groups/SubstitutionS/dictionary.txt deleted file mode 100644 index ccc8588f73..0000000000 --- a/output/RMG_database/kinetics_groups/SubstitutionS/dictionary.txt +++ /dev/null @@ -1,2516 +0,0 @@ -// dictionary for f01: HAbstraction reaction -// original from dictionary.txt, CDW 10/20/2002 -// SR and JS correct errors and add more nodes, Nov., 20, 2002 -// get rid of dots following the ID, add index to the central nodes, JS, Jan., 03, 2003 -// S.R., C.D.W (1/21/03) add biradicals -// JS, remove CO_birad to form a new family later: CO + RH -> HCO + R. Aug, 26, 2003 - -// -// R-H Tree -// - -S-RR -1 *1 Ss 0 {2,S} {3,S} -2 *2 R 0 {1,S} -3 R 0 {1,S} - -S-HH -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} - -S-CH -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 C 0 {1,S} - -S-CsH -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} - -S-Cs(NonDe)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {H,Cs} 0 {3,S} -5 {H,Cs} 0 {3,S} -6 {H,Cs} 0 {3,S} - -S-Cs(HHH)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsHH)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsH)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsCs)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-Cs(OneDe)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {H,Cs} 0 {3,S} -5 {H,Cs} 0 {3,S} -6 {Cd,CO,Ct,Cb} 0 {3,S} - -S-Cs(CdHH)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cd 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CdCsH)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cd 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-Cs(CdCsCs)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cd 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-Cs(CtHH)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Ct 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CtCsH)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Ct 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-Cs(CtCsCs)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Ct 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-Cs(TwoDe)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {H,Cs} 0 {3,S} -5 {Cd,CO,Ct,Cb} 0 {3,S} -6 {Cd,CO,Ct,Cb} 0 {3,S} - -S-Cs(ThreeDe)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {Cd,CO,Ct,Cb} 0 {3,S} -5 {Cd,CO,Ct,Cb} 0 {3,S} -6 {Cd,CO,Ct,Cb} 0 {3,S} - -S-CdH -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-Cds(H)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} - -S-Cds(Cs)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} - -S-CtH -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} - -S-CbH -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cb 0 {1,S} - -S-COH -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 CO 0 {1,S} - -S-C=SH -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 Sd 0 {3,D} - -S-HC -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 C 0 {1,S} - -S-HCs -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} - -S-HCs(NonDe) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {H,Cs,Os,Ss} 0 {3,S} -5 {H,Cs,Os,Ss} 0 {3,S} -6 {H,Cs,Os,Ss} 0 {3,S} - -S-HCs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-HCs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-HCs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-HCs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-HCs(CsOsH) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Os 0 {3,S} -6 H 0 {3,S} - -S-HCs(OneDe) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {H,Cs} 0 {3,S} -5 {H,Cs} 0 {3,S} -6 {Cd,CO,Ct,Cb} 0 {3,S} - -S-HCs(CdHH) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cd 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-HCs(CdCsH) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cd 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-HCs(CdCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cd 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-HCs(CtHH) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Ct 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-HCs(CtCsH) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Ct 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-HCs(CtCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Ct 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-HCs(TwoDe) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {H,Cs} 0 {3,S} -5 {Cd,CO,Ct,Cb} 0 {3,S} -6 {Cd,CO,Ct,Cb} 0 {3,S} - -S-HCs(ThreeDe) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {Cd,CO,Ct,Cb} 0 {3,S} -5 {Cd,CO,Ct,Cb} 0 {3,S} -6 {Cd,CO,Ct,Cb} 0 {3,S} - -S-HCd -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-HCds(H) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} - -S-HCds(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} - -S-HCt -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Ct 0 {1,S} - -S-HCb -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cb 0 {1,S} - -S-HCO -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 CO 0 {1,S} - -S-HCO(H) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 CO 0 {1,S} {4,S} -4 H 0 {3,S} - -S-HC=S -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 Sd 0 {3,D} - -S-CC -1 *1 Ss 0 {2,S} {3,S} -2 *2 C 0 {1,S} -3 C 0 {1,S} - -S-CsCs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} -3 Cs 0 {1,S} - -S-Cs(NonDe)Cs(NonDe) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {H,Cs} 0 {3,S} -8 {H,Cs} 0 {3,S} -9 {H,Cs} 0 {3,S} - -S-Cs(HHH)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(HHH)Cs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsHH)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(HHH)Cs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsCsH)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(HHH)Cs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsCsCs)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsHH)Cs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cs 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsHH)Cs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 Cs 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsCsH)Cs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 Cs 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsHH)Cs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsCsCs)Cs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsCsH)Cs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsCsH)Cs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsCsCs)Cs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsCsCs)Cs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -S-Cs(NonDe)Cs(De) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 R 0 {3,S} -9 R 0 {3,S} - -S-Cs(NonDe)Cs(OneDe) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 {H,Cs} 0 {3,S} -9 {H,Cs} 0 {3,S} - -S-Cs(HHH)Cs(CdHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cd 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(HHH)Cs(CdCsH) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cd 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -S-Cs(HHH)Cs(CdCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cd 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -S-Cs(HHH)Cs(CtHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Ct 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(HHH)Cs(CtCsH) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Ct 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -S-Cs(HHH)Cs(CtCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Ct 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -S-Cs(NonDe)Cs(TwoDe) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 {Cd,Ct,Cb,CO} 0 {3,S} -9 {H,Cs} 0 {3,S} - -S-Cs(NonDe)Cs(ThreeDe) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 {Cd,Ct,Cb,CO} 0 {3,S} -9 {Cd,Ct,Cb,CO} 0 {3,S} - -S-Cs(De)Cs(NonDe) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 R 0 {3,S} -9 R 0 {3,S} - -S-Cs(OneDe)Cs(NonDe) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 {H,Cs} 0 {3,S} -9 {H,Cs} 0 {3,S} - -S-Cs(CdHH)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cd 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CdCsH)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cd 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -S-Cs(CdCsCs)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cd 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -S-Cs(CtHH)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Ct 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CtCsH)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Ct 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -S-Cs(CtCsCs)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Ct 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -S-Cs(TwoDe)Cs(NonDe) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 {Cd,Ct,Cb,CO} 0 {3,S} -9 {H,Cs} 0 {3,S} - -S-Cs(ThreeDe)Cs(NonDe) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 {Cd,Ct,Cb,CO} 0 {3,S} -9 {Cd,Ct,Cb,CO} 0 {3,S} - -S-CsCd -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} -3 Cs 0 {1,S} -4 C 0 {2,D} - -S-Cs(HHH)Cds(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 H 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -S-Cs(CsHH)Cds(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 Cs 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -S-Cs(CsCsH)Cds(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 H 0 {3,S} - -S-Cs(CsCsCs)Cds(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -S-Cs(HHH)Cds(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 H 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -S-Cs(CsHH)Cds(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 Cs 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -S-Cs(CsCsH)Cds(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 H 0 {3,S} - -S-Cs(CsCsCs)Cds(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -S-CdCs -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} -3 *2 Cs 0 {1,S} -4 C 0 {2,D} - -S-Cds(H)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 H 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -S-Cds(H)Cs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 Cs 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -S-Cds(H)Cs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 H 0 {3,S} - -S-Cds(H)Cs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -S-Cds(Cs)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 H 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -S-Cds(Cs)Cs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 Cs 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -S-Cds(Cs)Cs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 H 0 {3,S} - -S-Cds(Cs)Cs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -S-CsCt -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Cs 0 {1,S} - -S-CtCs -1 *1 Ss 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 Cs 0 {1,S} - -S-Cs(HHH)Ct -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-CtCs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsHH)Ct -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-CtCs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsH)Ct -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-CtCs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsCs)Ct -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-CtCs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-CsCb -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cs 0 {1,S} - -S-CbCs -1 *1 Ss 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Cs 0 {1,S} - -S-Cs(HHH)Cb -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-CbCs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsHH)Cb -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-CbCs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsH)Cb -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-CbCs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsCs)Cb -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-CbCs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-CsCO -1 *1 Ss 0 {2,S} {3,S} -2 *2 CO 0 {1,S} -3 Cs 0 {1,S} - -S-COCs -1 *1 Ss 0 {2,S} {3,S} -2 CO 0 {1,S} -3 *2 Cs 0 {1,S} - -S-CsC=S -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} -3 Cs 0 {1,S} -4 Sd 0 {2,D} - -S-C=SCs -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} -3 *2 Cs 0 {1,S} -4 Sd 0 {2,D} - -S-CdCd -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {5,D} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} -5 C 0 {2,D} - -S-CdCt -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-CtCd -1 *1 Ss 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-CdCb -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-CbCd -1 *1 Ss 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-CdCO -1 *1 Ss 0 {2,S} {3,S} -2 *2 CO 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-COCd -1 *1 Ss 0 {2,S} {3,S} -2 CO 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-CdC=S -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {5,D} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} -5 Sd 0 {2,D} - -S-C=SCd -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {5,D} -3 *2 Cd 0 {1,S} {4,D} -4 C 0 {3,D} -5 Sd 0 {2,D} - -S-CtCt -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Ct 0 {1,S} - -S-CtCb -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Ct 0 {1,S} - -S-CbCt -1 *1 Ss 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Ct 0 {1,S} - -S-CtCO -1 *1 Ss 0 {2,S} {3,S} -2 *2 CO 0 {1,S} -3 Ct 0 {1,S} - -S-COCt -1 *1 Ss 0 {2,S} {3,S} -2 CO 0 {1,S} -3 *2 Ct 0 {1,S} - -S-CtC=S -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} -3 Ct 0 {1,S} -4 Sd 0 {2,D} - -S-C=SCt -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} -3 *2 Ct 0 {1,S} -4 Sd 0 {2,D} - -S-CbCb -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cb 0 {1,S} - -S-CbCO -1 *1 Ss 0 {2,S} {3,S} -2 *2 CO 0 {1,S} -3 Cb 0 {1,S} - -S-COCb -1 *1 Ss 0 {2,S} {3,S} -2 CO 0 {1,S} -3 *2 Cb 0 {1,S} - -S-CbC=S -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} -3 Cb 0 {1,S} -4 Sd 0 {2,D} - -S-C=SCb -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} -3 *2 Cb 0 {1,S} -4 Sd 0 {2,D} - -S-COCO -1 *1 Ss 0 {2,S} {3,S} -2 *2 CO 0 {1,S} -3 CO 0 {1,S} - -S-COC=S -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} -3 CO 0 {1,S} -4 Sd 0 {2,D} - -S-C=SCO -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} -3 *2 CO 0 {1,S} -4 Sd 0 {2,D} - -S-C=SC=S -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} -3 Cd 0 {1,S} {5,D} -4 Sd 0 {2,D} -5 Sd 0 {3,D} - -S-CS -1 *1 Ss 0 {2,S} {3,S} -2 *2 S 0 {1,S} -3 C 0 {1,S} - -S-CsSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} - -S-Cs(HHH)Ss(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Cs(CsHH)Ss(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Cs(CsCsH)Ss(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 H 0 {3,S} - -S-Cs(CsCsCs)Ss(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -S-Cs(HHH)Ss(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Cs(CsHH)Ss(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Cs(CsCsH)Ss(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 H 0 {3,S} - -S-Cs(CsCsCs)Ss(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -S-Cs(HHH)Ss(Ss) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Ss 0 {2,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Cs(CsHH)Ss(Ss) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Ss 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Cs(CsCsH)Ss(Ss) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Ss 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 H 0 {3,S} - -S-Cs(CsCsCs)Ss(Ss) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Ss 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -S-CdSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-Cds(H)Ss(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {6,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} -6 H 0 {2,S} - -S-Cds(H)Ss(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {6,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} -6 Cs 0 {2,S} - -S-Cds(H)Ss(Ss) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {6,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} -6 Ss 0 {2,S} - -S-Cds(Cs)Ss(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {6,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} -6 H 0 {2,S} - -S-Cds(Cs)Ss(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {6,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} -6 Cs 0 {2,S} - -S-Cds(Cs)Ss(Ss) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {6,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} -6 Ss 0 {2,S} - -S-CtSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Ct 0 {1,S} - -S-CbSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cb 0 {1,S} - -S-COSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 CO 0 {1,S} - -S-C=SSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 Sd 0 {3,D} - -S-SC -1 *1 Ss 0 {2,S} {3,S} -2 S 0 {1,S} -3 *2 C 0 {1,S} - -S-SsCs -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} -3 *2 Cs 0 {1,S} - -S-Ss(H)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Ss(H)Cs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Ss(H)Cs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 H 0 {3,S} - -S-Ss(H)Cs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -S-Ss(Cs)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Ss(Cs)Cs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Ss(Cs)Cs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 H 0 {3,S} - -S-Ss(Cs)Cs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -S-Ss(Ss)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Ss 0 {2,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Ss(Ss)Cs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Ss 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Ss(Ss)Cs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Ss 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 H 0 {3,S} - -S-Ss(Ss)Cs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Ss 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -S-SsCd -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-Ss(H)Cds(H) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {6,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} -6 H 0 {2,S} - -S-Ss(Cs)Cds(H) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {6,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} -6 Cs 0 {2,S} - -S-Ss(Ss)Cds(H) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {6,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} -6 Ss 0 {2,S} - -S-Ss(H)Cds(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {6,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} -6 H 0 {2,S} - -S-Ss(Cs)Cds(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {6,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} -6 Cs 0 {2,S} - -S-Ss(Ss)Cds(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {6,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} -6 Ss 0 {2,S} - -S-SsCt -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} -3 *2 Ct 0 {1,S} - -S-SsCb -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} -3 *2 Cb 0 {1,S} - -S-SsCO -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} -3 *2 CO 0 {1,S} - -S-SsC=S -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 Sd 0 {3,D} - -S-SsH -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Ss 0 {1,S} - -S-Ss(H)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Ss 0 {1,S} {4,S} -4 H 0 {3,S} - -S-Ss(Cs)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Ss 0 {1,S} {4,S} -4 Cs 0 {3,S} - -S-Ss(Ss)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Ss 0 {1,S} {4,S} -4 Ss 0 {3,S} - -S-HSs -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Ss 0 {1,S} - -S-HSs(H) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Ss 0 {1,S} {4,S} -4 H 0 {3,S} - -S-HSs(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Ss 0 {1,S} {4,S} -4 Cs 0 {3,S} - -S-HSs(Ss) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Ss 0 {1,S} {4,S} -4 Ss 0 {3,S} - -S-SsSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Ss 0 {1,S} - -S-Ss(H)Ss(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {5,S} -3 Ss 0 {1,S} {4,S} -4 H 0 {3,S} -5 H 0 {2,S} - -S-Ss(Cs)Ss(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {5,S} -3 Ss 0 {1,S} {4,S} -4 Cs 0 {3,S} -5 H 0 {2,S} - -S-Ss(H)Ss(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {5,S} -3 *2 Ss 0 {1,S} {4,S} -4 Cs 0 {3,S} -5 H 0 {2,S} - -S-Ss(Ss)Ss(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {5,S} -3 Ss 0 {1,S} {4,S} -4 Ss 0 {3,S} -5 H 0 {2,S} - -S-Ss(H)Ss(Ss) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {5,S} -3 *2 Ss 0 {1,S} {4,S} -4 Ss 0 {3,S} -5 H 0 {2,S} - -S-Ss(Cs)Ss(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {5,S} -3 Ss 0 {1,S} {4,S} -4 Cs 0 {3,S} -5 Cs 0 {2,S} - -S-Ss(Cs)Ss(Ss) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {5,S} -3 Ss 0 {1,S} {4,S} -4 Cs 0 {3,S} -5 Ss 0 {2,S} - -S-Ss(Ss)Ss(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {5,S} -3 *2 Ss 0 {1,S} {4,S} -4 Cs 0 {3,S} -5 Ss 0 {2,S} - -S-Ss(Ss)Ss(Ss) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {5,S} -3 Ss 0 {1,S} {4,S} -4 Ss 0 {3,S} -5 Ss 0 {2,S} - -// -// RJ Tree -// - -YJ -union {Y_2centeradjbirad, HJ, CJ, O_rad, SJ, Y_1centerbirad} - -Y_2centeradjbirad -1 *3 {Ct,Os} 1 {2,{S,T}} -2 {Ct,Os} 1 {1,{S,T}} - -HJ -1 *3 H 1 - -CJ -1 *3 C 1 - -CsJ -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-HHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-OsOsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 H 0 {1,S} - -CsJ-OsOsOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} - -CsJ-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-OsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-OsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OsOsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsSsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {H,Cs,Os,Ss} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-OneDeHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CtHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CbHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-COHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-C=SHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 Sd 0 {2,D} - -CsJ-OneDeCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CtCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CbCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-COCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-C=SCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Sd 0 {2,D} - -CsJ-OneDeCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CtCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-COCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-C=SCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Sd 0 {2,D} - -CsJ-OneDeOsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 H 0 {1,S} - -CsJ-OneDeSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-OneDeOsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OneDeOsOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} - -CsJ-OneDeOsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Ss 0 {1,S} - -CsJ-OneDeSsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OneDeSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-TwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-TwoDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -CsJ-CdCtH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 CO 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 C 0 {2,D} -6 Sd 0 {3,D} - -CsJ-CtCtH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ct 0 {1,S} -4 H 0 {1,S} - -CsJ-CtCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cb 0 {1,S} -4 H 0 {1,S} - -CsJ-CtCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-CtC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -CsJ-CbCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cb 0 {1,S} -4 H 0 {1,S} - -CsJ-CbCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-CbC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -CsJ-COCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-COC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -CsJ-C=SC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 Sd 0 {2,D} -6 Sd 0 {3,D} - -CsJ-TwoDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -CsJ-CdCtCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 CO 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 C 0 {2,D} -6 Sd 0 {3,D} - -CsJ-CtCtCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -CsJ-CbCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -CsJ-COCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-COC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -CsJ-C=SC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 Sd 0 {2,D} -6 Sd 0 {3,D} - -CsJ-TwoDeOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Os 0 {1,S} - -CsJ-TwoDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-ThreeDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-H -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-Cs -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-Cd -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-Ct -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Ct 0 {1,S} - -CdsJ-Cb -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cb 0 {1,S} - -CdsJ-CO -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 CO 0 {1,S} - -CdsJ-C=S -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 Sd 0 {3,D} - -CdsJ-Os -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Os 0 {1,S} - -CdsJ-Ss -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Ss 0 {1,S} - -CtJ -1 *3 Ct 1 {2,T} -2 C 0 {1,T} - -CbJ -1 *3 Cb 1 - -C=SJ -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 R 0 {1,S} - -C=SJ-H -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 H 0 {1,S} - -C=SJ-Cs -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cs 0 {1,S} - -C=SJ-Cd -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -C=SJ-Ct -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Ct 0 {1,S} - -C=SJ-Cb -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cb 0 {1,S} - -C=SJ-CO -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 CO 0 {1,S} - -C=SJ-C=S -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 Sd 0 {3,D} - -C=SJ-Os -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Os 0 {1,S} - -C=SJ-Ss -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Ss 0 {1,S} - -CO_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 R 0 {1,S} - -CO_pri_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 H 0 {1,S} - -CO_sec_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {R!H} 0 {1,S} - -CO_rad/NonDe -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cs,O} 0 {1,S} - -C2b -1 *3 C 1 {2,T} -2 C 1 {1,T} - - -CO_rad/OneDe -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -O_rad -1 *3 O 1 {2,S} -2 R 0 {1,S} - -O_pri_rad -1 *3 O 1 {2,S} -2 H 0 {1,S} - -O_sec_rad -1 *3 O 1 {2,S} -2 {R!H} 0 {1,S} - -O_rad/NonDeC -1 *3 O 1 {2,S} -2 Cs 0 {1,S} - -O_rad/NonDeO -1 *3 O 1 {2,S} -2 O 0 {1,S} - -O_rad/OneDe -1 *3 O 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -O2b -1 *3 O 1 {2,S} -2 O 1 {1,S} - -Y_1centerbirad -1 *3 {Cs,Cd,O} 2 - -//CO_birad -//1 *3 C 2T {2,D} -//2 O 0 {1,D} - -O_atom_triplet -1 *3 O 2 - -CH2_triplet -1 *3 C 2 {2,S}, {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -SJ -1 *3 Ss 1 {2,S} -2 R 0 {1,S} - -SsJ -1 *3 Ss 1 {2,S} -2 R 0 {1,S} - -SsJ-H -1 *3 Ss 1 {2,S} -2 H 0 {1,S} - -SsJ-Cs -1 *3 Ss 1 {2,S} -2 Cs 0 {1,S} - -SsJ-Ss -1 *3 Ss 1 {2,S} -2 Ss 0 {1,S} - -SsJ-OneDe -1 *3 Ss 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-Cd -1 *3 Ss 1 {2,S} -2 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -SsJ-Ct -1 *3 Ss 1 {2,S} -2 Ct 0 {1,S} - -SsJ-Cb -1 *3 Ss 1 {2,S} -2 Cb 0 {1,S} - -SsJ-CO -1 *3 Ss 1 {2,S} -2 CO 0 {1,S} - -SsJ-C=S -1 *3 Ss 1 {2,S} -2 Cd 0 {1,S}, {3,D} -3 Sd 0 {2,D} - diff --git a/output/RMG_database/kinetics_groups/SubstitutionS/rateLibrary.txt b/output/RMG_database/kinetics_groups/SubstitutionS/rateLibrary.txt deleted file mode 100644 index 9155d3760d..0000000000 --- a/output/RMG_database/kinetics_groups/SubstitutionS/rateLibrary.txt +++ /dev/null @@ -1,169 +0,0 @@ -Arrhenius_EP - -// Defined as forward, so also include reverse reactions! - - -//No. S-R1R2 YJ Temp. A n a E0 DA Dn Da DE0 Rank Comments -1 S-HCs(HHH) HJ 300-1500 4.04E+08 1.49 0 3.9 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -//2 S-HCs(CsHH) HJ 300-1500 4.11E+08 1.51 0 3.6 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -2 S-HCs(CsHH) HJ 300-1500 3.06E+07 2.13 0 3.69 0 0 0 0 2 CAC CBS-QB3 1dhr -3 S-HCs(CsCsH) HJ 300-1500 2.84E+08 1.59 0 3.1 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -4 S-HCs(CsCsCs) HJ 300-1500 2.79E+08 1.63 0 2.4 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -5 S-HCds(H) HJ 300-1500 2.90E+08 1.54 0 4.5 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -6 S-HCds(Cs) HJ 300-1500 1.19E+06 2.44 0 4.7 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -7 S-HCs(CdHH) HJ 300-1500 1.42E+08 1.66 0 2.0 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -8 S-HCs(CdCsH) HJ 300-1500 2.93E+08 1.57 0 2.0 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -9 S-HCs(CdCsCs) HJ 300-1500 6.66E+08 1.56 0 1.7 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -10 S-HCs(CtHH) HJ 300-1500 2.81E+08 1.57 0 2.9 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -11 S-HCs(CtCsH) HJ 300-1500 7.79E+08 1.49 0 2.5 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -12 S-HCs(CtCsCs) HJ 300-1500 4.76E+08 1.51 0 2.1 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -13 S-Cs(HHH)Cs(HHH) HJ 300-1500 1.64E+08 1.52 0 3.4 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -14 S-Cs(HHH)Cs(CsHH) HJ 300-1500 1.98E+08 1.51 0 3.0 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -15 S-Cs(HHH)Cs(CsCsH) HJ 300-1500 3.68E+08 1.48 0 3.3 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -16 S-Cs(HHH)Cs(CsCsCs) HJ 300-1500 3.14E+08 1.50 0 2.9 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -17 S-Cs(HHH)Cds(H) HJ 300-1500 2.38E+10 0.79 0 8.2 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -18 S-Cs(HHH)Cds(Cs) HJ 300-1500 2.81E+09 1.15 0 5.9 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -19 S-Cs(HHH)Cs(CdHH) HJ 300-1500 2.53E+08 1.54 0 2.2 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -20 S-Cs(HHH)Cs(CdCsH) HJ 300-1500 4.05E+08 1.49 0 2.0 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -21 S-Cs(HHH)Cs(CdCsCs) HJ 300-1500 1.92E+08 1.57 0 1.6 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -22 S-Cs(HHH)Cs(CtHH) HJ 300-1500 1.33E+08 1.62 0 2.5 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -23 S-Cs(HHH)Cs(CtCsH) HJ 300-1500 1.87E+08 1.62 0 2.0 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -24 S-Cs(HHH)Cs(CtCsCs) HJ 300-1500 1.36E+08 1.63 0 1.9 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -25 S-Cs(HHH)Cs(HHH) HJ 300-1500 1.64E+08 1.52 0 3.4 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -26 S-Cs(CsHH)Cs(HHH) HJ 300-1500 6.81E+07 1.48 0 2.9 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -27 S-Cs(CsCsH)Cs(HHH) HJ 300-1500 6.57E+07 1.45 0 3.8 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -28 S-Cs(CsCsCs)Cs(HHH) HJ 300-1500 8.66E+07 1.54 0 4.5 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -29 S-Cds(H)Cs(HHH) HJ 300-1500 8.62E+07 1.53 0 4.6 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -30 S-Cds(Cs)Cs(HHH) HJ 300-1500 7.81E+07 1.60 0 5.3 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -31 S-Cs(CdHH)Cs(HHH) HJ 300-1500 1.61E+08 1.54 0 3.5 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -32 S-Cs(CdCsH)Cs(HHH) HJ 300-1500 1.34E+08 1.43 0 4.4 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -33 S-Cs(CdCsCs)Cs(HHH) HJ 300-1500 1.31E+08 1.52 0 5.1 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -34 S-Cs(CtHH)Cs(HHH) HJ 300-1500 1.21E+08 1.54 0 3.6 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -35 S-Cs(CtCsH)Cs(HHH) HJ 300-1500 1.42E+08 1.47 0 3.8 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -36 S-Cs(CtCsCs)Cs(HHH) HJ 300-1500 7.68E+07 1.59 0 4.6 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -37 S-HCs(HHH) CsJ-HHH 300-1500 5.13E+03 2.54 0 13.4 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -38 S-HCs(CsHH) CsJ-HHH 300-1500 9.81E+03 2.55 0 11.7 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -39 S-HCs(CsCsH) CsJ-HHH 300-1500 5.34E+03 2.54 0 10.7 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -40 S-HCs(CsCsCs) CsJ-HHH 300-1500 1.38E+06 1.59 0 9.2 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -41 S-HCds(H) CsJ-HHH 300-1500 4.32E+04 2.43 0 16.8 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -42 S-HCds(Cs) CsJ-HHH 300-1500 9.61E+01 3.24 0 14.9 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -43 S-HCs(CdHH) CsJ-HHH 300-1500 2.72E+03 2.64 0 8.2 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -44 S-HCs(CdCsH) CsJ-HHH 300-1500 3.42E+03 2.69 0 7.3 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -45 S-HCs(CdCsCs) CsJ-HHH 300-1500 9.75E+03 2.63 0 6.7 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -46 S-HCs(CtHH) CsJ-HHH 300-1500 3.47E+03 2.64 0 8.3 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -47 S-HCs(CtCsH) CsJ-HHH 300-1500 7.00E+03 2.65 0 7.2 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -48 S-HCs(CtCsCs) CsJ-HHH 300-1500 2.91E+03 2.60 0 6.8 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -49 S-Ss(H)Cs(HHH) HJ 300-1500 9.44E+07 1.64 0 5.8 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -50 S-Ss(Cs)Cs(HHH) HJ 300-1500 7.47E+07 1.66 0 5.1 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -51 S-HSs(H) HJ 300-1500 5.43E+08 1.56 0 0.8 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -52 S-Cs(HHH)Ss(H) HJ 300-1500 4.07E+08 1.60 0 0.9 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -53 S-HSs(Cs) HJ 300-1500 1.03E+09 1.54 0 0.9 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -54 S-Cs(HHH)Ss(Cs) HJ 300-1500 5.31E+08 1.60 0 0.9 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -55 S-HSs(H) CsJ-HHH 300-1500 2.93E+05 1.72 0 2.9 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -56 S-HSs(Cs) CsJ-HHH 300-1500 3.57E+03 2.63 0 4.1 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -57 S-Cs(HHH)Ss(H) CsJ-HHH 300-1500 2.02E+03 2.72 0 3.9 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -58 S-Cs(HHH)Ss(Cs) CsJ-HHH 300-1500 5.13E+03 2.66 0 4.7 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -59 S-Ss(H)Ss(H) HJ 300-1500 3.47E+08 1.64 0 1.8 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -60 S-HSs(Ss) HJ 300-1500 2.34E+09 1.56 0 0.5 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -61 S-Ss(Cs)Ss(H) HJ 300-1500 6.14E+08 1.63 0 1.5 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -62 S-Cs(HHH)Ss(Ss) HJ 300-1500 5.07E+08 1.58 0 1.0 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -63 S-Ss(Ss)Cs(HHH) HJ 300-1500 8.23E+07 1.64 0 5.1 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -64 S-Ss(H)Ss(Cs) HJ 300-1500 1.80E+08 1.66 0 2.0 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -65 S-HSs(Ss) HJ 300-1500 2.90E+09 1.58 0 0.5 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -66 S-Ss(Ss)Cs(HHH) HJ 300-1500 6.95E+07 1.64 0 5.1 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -67 S-Ss(Cs)Ss(Cs) HJ 300-1500 3.96E+08 1.66 0 1.6 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -68 S-Cs(HHH)Ss(Ss) HJ 300-1500 7.39E+08 1.61 0 0.7 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -69 S-Ss(H)Ss(H) CsJ-HHH 300-1500 2.41E+03 2.70 0 3.8 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -70 S-HSs(Ss) CsJ-HHH 300-1500 1.07E+04 2.68 0 1.7 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -71 S-Ss(H)Ss(Cs) CsJ-HHH 300-1500 3.56E+03 2.61 0 5.2 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -72 S-Cs(HHH)Ss(Ss) CsJ-HHH 300-1500 3.85E+03 2.69 0 1.6 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -73 S-Ss(Cs)Ss(H) CsJ-HHH 300-1500 2.49E+03 2.69 0 3.7 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -74 S-Cs(HHH)Ss(Ss) CsJ-HHH 300-1500 6.06E+03 2.68 0 3.2 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -75 S-Ss(Cs)Ss(Cs) CsJ-HHH 300-1500 3.71E+03 2.65 0 5.1 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -76 S-Cs(HHH)Ss(Ss) CsJ-HHH 300-1500 5.43E+03 2.68 0 3.3 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO - -77 S-HH CsJ-HHH 300-1500 1.48E+03 2.72 0 19.3 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -78 S-HH CsJ-CsHH 300-1500 1.02E+01 2.96 0 18.8 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -79 S-HH CsJ-CsCsH 300-1500 4.82E-01 3.24 0 18.5 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -80 S-HH CsJ-CsCsCs 300-1500 8.39E-02 3.51 0 18.2 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -81 S-HH CdsJ-H 300-1500 6.43E+00 3.21 0 8.2 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -82 S-HH CdsJ-Cs 300-1500 7.17E-01 3.37 0 9.7 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -83 S-HH CsJ-CdHH 300-1500 1.55E+01 3.29 0 31.8 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -84 S-HH CsJ-CdCsH 300-1500 2.54E+00 3.35 0 32.1 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -85 S-HH CsJ-CdCsCs 300-1500 4.60E-01 3.41 0 32.4 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -86 S-HH CsJ-CtHH 300-1500 2.93E+01 3.13 0 31.3 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -87 S-HH CsJ-CtCsH 300-1500 2.46E+00 3.23 0 31.2 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -88 S-HH CsJ-CtCsCs 300-1500 2.05E-01 3.46 0 31.2 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -89 S-Cs(HHH)H CsJ-HHH 300-1500 4.19E+01 2.89 0 15.7 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -90 S-Cs(HHH)H CsJ-CsHH 300-1500 9.63E-01 3.09 0 15.7 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -91 S-Cs(HHH)H CsJ-CsCsH 300-1500 7.19E-02 3.31 0 16.0 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -92 S-Cs(HHH)H CsJ-CsCsCs 300-1500 7.52E-03 3.43 0 16.6 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -93 S-Cs(HHH)H CdsJ-H 300-1500 3.46E+01 2.64 0 7.1 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -94 S-Cs(HHH)H CdsJ-Cs 300-1500 8.07E-01 3.02 0 7.1 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -95 S-Cs(HHH)H CsJ-CdHH 300-1500 1.78E+00 3.29 0 28.4 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -96 S-Cs(HHH)H CsJ-CdCsH 300-1500 2.50E-01 3.40 0 28.3 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -97 S-Cs(HHH)H CsJ-CdCsCs 300-1500 1.01E-02 3.51 0 28.8 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -98 S-Cs(HHH)H CsJ-CtHH 300-1500 1.33E+00 3.30 0 27.0 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -99 S-Cs(HHH)H CsJ-CtCsH 300-1500 6.74E-02 3.50 0 26.6 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -100 S-Cs(HHH)H CsJ-CtCsCs 300-1500 3.39E-03 3.67 0 27.1 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -101 S-Cs(HHH)H CsJ-HHH 300-1500 4.19E+01 2.89 0 15.7 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -102 S-Cs(CsHH)H CsJ-HHH 300-1500 4.85E+01 2.83 0 15.7 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -103 S-Cs(CsCsH)H CsJ-HHH 300-1500 2.67E+01 2.86 0 16.5 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -104 S-Cs(CsCsCs)H CsJ-HHH 300-1500 2.51E+01 2.82 0 17.9 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -105 S-Cds(H)H CsJ-HHH 300-1500 2.16E+01 2.93 0 15.3 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -106 S-Cds(Cs)H CsJ-HHH 300-1500 1.70E+01 2.82 0 17.0 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -107 S-Cs(CdHH)H CsJ-HHH 300-1500 3.87E+01 2.87 0 15.3 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -108 S-Cs(CdCsH)H CsJ-HHH 300-1500 3.50E+01 2.79 0 16.0 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -109 S-Cs(CdCsCs)H CsJ-HHH 300-1500 3.70E+01 2.83 0 17.0 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -110 S-Cs(CtHH)H CsJ-HHH 300-1500 4.50E+01 2.88 0 15.3 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -111 S-Cs(CtCsH)H CsJ-HHH 300-1500 6.08E+01 2.83 0 15.1 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -112 S-Cs(CtCsCs)H CsJ-HHH 300-1500 1.66E+01 2.91 0 16.2 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -113 S-HCs(HHH) CsJ-HHH 300-1500 5.54E+03 2.52 0 13.5 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -114 S-HCs(HHH) CsJ-CsHH 300-1500 7.33E+01 2.76 0 11.5 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -115 S-HCs(HHH) CsJ-CsCsH 300-1500 2.62E+00 2.96 0 10.7 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -116 S-HCs(HHH) CsJ-CsCsCs 300-1500 3.96E+01 2.74 0 9.5 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -117 S-HCs(HHH) CdsJ-H 300-1500 2.45E+02 2.88 0 5.1 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -118 S-HCs(HHH) CdsJ-Cs 300-1500 1.34E+01 2.97 0 4.5 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -119 S-HCs(HHH) CsJ-CdHH 300-1500 8.46E+01 3.04 0 22.5 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -120 S-HCs(HHH) CsJ-CdCsH 300-1500 8.56E+00 3.23 0 21.9 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -121 S-HCs(HHH) CsJ-CdCsCs 300-1500 1.93E+00 3.25 0 22.0 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -122 S-HCs(HHH) CsJ-CtHH 300-1500 1.03E+02 2.96 0 21.2 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -123 S-HCs(HHH) CsJ-CtCsH 300-1500 6.33E+00 3.16 0 20.5 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -124 S-HCs(HHH) CsJ-CtCsCs 300-1500 3.60E-01 3.32 0 20.4 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -125 S-Ss(H)H CsJ-HHH 300-1500 4.44E+01 3.04 0 16.6 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -126 S-Ss(Cs)H CsJ-HHH 300-1500 1.13E+01 3.03 0 16.0 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -127 S-HH SsJ-H 300-1500 8.04E+02 3.08 0 26.7 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -128 S-Cs(HHH)H SsJ-H 300-1500 7.52E+01 3.30 0 22.1 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -// CAC has calculations for 129, but doesn't really trust them.. -129 S-HH SsJ-Cs 300-1500 1.25E+00 4.01 0 24.8 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -130 S-Cs(HHH)H SsJ-Cs 300-1500 2.63E-02 4.22 0 20.4 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -131 S-HCs(HHH) SsJ-H 300-1500 9.99E+02 3.08 0 13.09 0 0 0 0 2 CAC calc CBS-QB3 1dhr -131 S-HCs(HHH) SsJ-H 300-1500 1.18E+03 3.00 0 13.3 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -132 S-HCs(HHH) SsJ-Cs 300-1500 1.28E+00 3.85 0 12.6 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -133 S-Cs(HHH)Cs(HHH) SsJ-H 300-1500 1.77E+03 3.03 0 12.9 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -134 S-Cs(HHH)Cs(HHH) SsJ-Cs 300-1500 1.17E+00 3.89 0 12.0 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -135 S-Ss(H)H SsJ-H 300-1500 2.67E+01 3.36 0 21.6 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -136 S-HH SsJ-Ss 300-1500 8.59E-01 3.89 0 37.6 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -137 S-Ss(Cs)H SsJ-H 300-1500 8.36E+01 3.33 0 20.4 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -138 S-Cs(HHH)H SsJ-Ss 300-1500 4.13E-02 4.06 0 32.6 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -139 S-Ss(Ss)H CsJ-HHH 300-1500 6.85E+01 3.02 0 15.0 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -140 S-Ss(H)H SsJ-Cs 300-1500 2.02E-02 4.30 0 19.0 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -141 S-HH SsJ-Ss 300-1500 1.67E+00 3.91 0 39.9 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -142 S-Ss(Ss)H CsJ-HHH 300-1500 1.24E+01 3.01 0 15.0 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -143 S-Ss(Cs)H SsJ-Cs 300-1500 1.68E-02 4.25 0 17.7 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -144 S-Cs(HHH)H SsJ-Ss 300-1500 1.98E-02 4.09 0 34.5 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -145 S-Ss(H)Cs(HHH) SsJ-H 300-1500 4.67E+02 3.00 0 12.9 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -146 S-HCs(HHH) SsJ-Ss 300-1500 1.08E+00 3.79 0 23.3 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -147 S-Ss(H)Cs(HHH) SsJ-Cs 300-1500 9.23E-01 3.83 0 11.5 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -148 S-Cs(HHH)Cs(HHH) SsJ-Ss 300-1500 6.07E-01 3.80 0 25.6 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -149 S-Ss(Cs)Cs(HHH) SsJ-H 300-1500 2.37E+03 3.00 0 11.7 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -150 S-Cs(HHH)Cs(HHH) SsJ-Ss 300-1500 2.05E+00 3.80 0 22.5 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -151 S-Ss(Cs)Cs(HHH) SsJ-Cs 300-1500 1.07E+00 3.86 0 10.3 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -152 S-Cs(HHH)Cs(HHH) SsJ-Ss 300-1500 6.15E-01 3.78 0 24.9 0 0 0 0 3 Aaron Vandeputte CBS-QB3 HO -153 S-Cs(CsHH)Cs(CsHH) HJ 300-1500 1.27E+07 2.26 0 3.83 0 0 0 0 2 CAC CBS-QB3 1dhr -154 S-HCO HJ 300-1500 1.26E+09 1.46 0 3.14 0 0 0 0 3 CAC CBS-QB3 1dhr -155 S-HCO CsJ-HHH 300-1500 3.88E+06 1.40 0 10.56 0 0 0 0 3 CAC CBS-QB3 1dhr -156 S-HCs(CsOsH) HJ 300-1500 3.91e+09 1.32 0 3.05 0 0 0 0 3 CAC CBS-QB3 1dhr -157 S-HCs(CsOsH) CsJ-HHH 300-1500 2.96e-03 5.57 0 8.47 0 0 0 0 3 CAC CBS-QB3 1dhr -158 S-HCs(CsOsH) CJ 300-1500 2.96e-03 5.57 0 8.47 0 0 0 0 4 based on 157 -159 S-HCs(CsOsH) SsJ-H 300-1500 1.18E+03 3.00 0 13.3 0 0 0 0 4 based on CAC's 131 calc diff --git a/output/RMG_database/kinetics_groups/SubstitutionS/reactionAdjList.txt b/output/RMG_database/kinetics_groups/SubstitutionS/reactionAdjList.txt deleted file mode 100644 index ce78c2dd93..0000000000 --- a/output/RMG_database/kinetics_groups/SubstitutionS/reactionAdjList.txt +++ /dev/null @@ -1,25 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Aaron Vandeputte 11 aug 2009 // -// // -////////////////////////////////////////////////////// - - -// f01 Substitution on S - -S-RR + YJ -> RJ + S-YR - -forward -reverse(f23): SubstitutionS - -//thermo_consistence - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) FORM_BOND {*1,S,*3} -(3) GAIN_RADICAL {*2,1} -(4) LOSE_RADICAL {*3,1} - - diff --git a/output/RMG_database/kinetics_groups/SubstitutionS/tree.txt b/output/RMG_database/kinetics_groups/SubstitutionS/tree.txt deleted file mode 100644 index 76cf305735..0000000000 --- a/output/RMG_database/kinetics_groups/SubstitutionS/tree.txt +++ /dev/null @@ -1,397 +0,0 @@ -// -// Tree fully developped by Aaron Vandeputte Aug 11th 2009 -// -// Molecule tree departs from the idea that the rates are dependent of both -// groups neighboring the sulfur atom -// -// Radical tree is exactly the same as for H abstraction reactions -// - -L1: S-RR - L2: S-HH - L2: S-CH - L3: S-CsH - L4: S-Cs(NonDe)H - L5: S-Cs(HHH)H - L5: S-Cs(CsHH)H - L5: S-Cs(CsCsH)H - L5: S-Cs(CsCsCs)H - L4: S-Cs(OneDe)H - L5: S-Cs(CdHH)H - L5: S-Cs(CdCsH)H - L5: S-Cs(CdCsCs)H - L5: S-Cs(CtHH)H - L5: S-Cs(CtCsH)H - L5: S-Cs(CtCsCs)H - L4: S-Cs(TwoDe)H - L4: S-Cs(ThreeDe)H - L3: S-CdH - L4: S-Cds(H)H - L4: S-Cds(Cs)H - L3: S-CtH - L3: S-CbH - L3: S-COH - L3: S-C=SH - L2: S-HC - L3: S-HCs - L4: S-HCs(NonDe) - L5: S-HCs(HHH) - L5: S-HCs(CsHH) - L5: S-HCs(CsCsH) - L5: S-HCs(CsCsCs) - L5: S-HCs(CsOsH) - L4: S-HCs(OneDe) - L5: S-HCs(CdHH) - L5: S-HCs(CdCsH) - L5: S-HCs(CdCsCs) - L5: S-HCs(CtHH) - L5: S-HCs(CtCsH) - L5: S-HCs(CtCsCs) - L4: S-HCs(TwoDe) - L4: S-HCs(ThreeDe) - L3: S-HCd - L4: S-HCds(H) - L4: S-HCds(Cs) - L3: S-HCt - L3: S-HCb - L3: S-HCO - L4: S-HCO(H) - L3: S-HC=S - L2: S-CC - L3: S-CsCs - L4:S-Cs(NonDe)Cs(NonDe) - L5: S-Cs(HHH)Cs(HHH) - L5: S-Cs(HHH)Cs(CsHH) - L5: S-Cs(CsHH)Cs(HHH) - L5: S-Cs(HHH)Cs(CsCsH) - L5: S-Cs(CsCsH)Cs(HHH) - L5: S-Cs(HHH)Cs(CsCsCs) - L5: S-Cs(CsCsCs)Cs(HHH) - L5: S-Cs(CsHH)Cs(CsHH) - L5: S-Cs(CsHH)Cs(CsCsH) - L5: S-Cs(CsCsH)Cs(CsHH) - L5: S-Cs(CsHH)Cs(CsCsCs) - L5: S-Cs(CsCsCs)Cs(CsHH) - L5: S-Cs(CsCsH)Cs(CsCsH) - L5: S-Cs(CsCsH)Cs(CsCsCs) - L5: S-Cs(CsCsCs)Cs(CsCsH) - L5: S-Cs(CsCsCs)Cs(CsCsCs) - L4: S-Cs(NonDe)Cs(De) - L5: S-Cs(NonDe)Cs(OneDe) - L6: S-Cs(HHH)Cs(CdHH) - L6: S-Cs(HHH)Cs(CdCsH) - L6: S-Cs(HHH)Cs(CdCsCs) - L6: S-Cs(HHH)Cs(CtHH) - L6: S-Cs(HHH)Cs(CtCsH) - L6: S-Cs(HHH)Cs(CtCsCs) - L5: S-Cs(NonDe)Cs(TwoDe) - L5: S-Cs(NonDe)Cs(ThreeDe) - L4: S-Cs(De)Cs(NonDe) - L5: S-Cs(OneDe)Cs(NonDe) - L6: S-Cs(CdHH)Cs(HHH) - L6: S-Cs(CdCsH)Cs(HHH) - L6: S-Cs(CdCsCs)Cs(HHH) - L6: S-Cs(CtHH)Cs(HHH) - L6: S-Cs(CtCsH)Cs(HHH) - L6: S-Cs(CtCsCs)Cs(HHH) - L5: S-Cs(TwoDe)Cs(NonDe) - L5: S-Cs(ThreeDe)Cs(NonDe) - L3: S-CsCd - L4: S-Cs(HHH)Cds(H) - L4: S-Cs(CsHH)Cds(H) - L4: S-Cs(CsCsH)Cds(H) - L4: S-Cs(CsCsCs)Cds(H) - L4: S-Cs(HHH)Cds(Cs) - L4: S-Cs(CsHH)Cds(Cs) - L4: S-Cs(CsCsH)Cds(Cs) - L4: S-Cs(CsCsCs)Cds(Cs) - L3: S-CdCs - L4: S-Cds(H)Cs(HHH) - L4: S-Cds(H)Cs(CsHH) - L4: S-Cds(H)Cs(CsCsH) - L4: S-Cds(H)Cs(CsCsCs) - L4: S-Cds(Cs)Cs(HHH) - L4: S-Cds(Cs)Cs(CsHH) - L4: S-Cds(Cs)Cs(CsCsH) - L4: S-Cds(Cs)Cs(CsCsCs) - L3: S-CsCt - L4: S-Cs(HHH)Ct - L4: S-Cs(CsHH)Ct - L4: S-Cs(CsCsH)Ct - L4: S-Cs(CsCsCs)Ct - L3: S-CtCs - L4: S-CtCs(HHH) - L4: S-CtCs(CsHH) - L4: S-CtCs(CsCsH) - L4: S-CtCs(CsCsCs) - L3: S-CsCb - L4: S-Cs(HHH)Cb - L4: S-Cs(CsHH)Cb - L4: S-Cs(CsCsH)Cb - L4: S-Cs(CsCsCs)Cb - L3: S-CbCs - L4: S-CbCs(HHH) - L4: S-CbCs(CsHH) - L4: S-CbCs(CsCsH) - L4: S-CbCs(CsCsCs) - L3: S-CsCO - L3: S-COCs - L3: S-CsC=S - L3: S-C=SCs - L3: S-CdCd - L3: S-CdCt - L3: S-CtCd - L3: S-CdCb - L3: S-CbCd - L3: S-CdCO - L3: S-COCd - L3: S-CdC=S - L3: S-C=SCd - L3: S-CtCt - L3: S-CtCb - L3: S-CbCt - L3: S-CtCO - L3: S-COCt - L3: S-CtC=S - L3: S-C=SCt - L3: S-CbCb - L3: S-CbCO - L3: S-COCb - L3: S-CbC=S - L3: S-C=SCb - L3: S-COCO - L3: S-COC=S - L3: S-C=SCO - L3: S-C=SC=S - L2: S-CS - L3: S-CsSs - L4: S-Cs(HHH)Ss(H) - L4: S-Cs(CsHH)Ss(H) - L4: S-Cs(CsCsH)Ss(H) - L4: S-Cs(CsCsCs)Ss(H) - L4: S-Cs(HHH)Ss(Cs) - L4: S-Cs(CsHH)Ss(Cs) - L4: S-Cs(CsCsH)Ss(Cs) - L4: S-Cs(CsCsCs)Ss(Cs) - L4: S-Cs(HHH)Ss(Ss) - L4: S-Cs(CsHH)Ss(Ss) - L4: S-Cs(CsCsH)Ss(Ss) - L4: S-Cs(CsCsCs)Ss(Ss) - L3: S-CdSs - L4: S-Cds(H)Ss(H) - L4: S-Cds(H)Ss(Cs) - L4: S-Cds(H)Ss(Ss) - L4: S-Cds(Cs)Ss(H) - L4: S-Cds(Cs)Ss(Cs) - L4: S-Cds(Cs)Ss(Ss) - L3: S-CtSs - L3: S-CbSs - L3: S-COSs - L3: S-C=SSs - L2: S-SC - L3: S-SsCs - L4: S-Ss(H)Cs(HHH) - L4: S-Ss(H)Cs(CsHH) - L4: S-Ss(H)Cs(CsCsH) - L4: S-Ss(H)Cs(CsCsCs) - L4: S-Ss(Cs)Cs(HHH) - L4: S-Ss(Cs)Cs(CsHH) - L4: S-Ss(Cs)Cs(CsCsH) - L4: S-Ss(Cs)Cs(CsCsCs) - L4: S-Ss(Ss)Cs(HHH) - L4: S-Ss(Ss)Cs(CsHH) - L4: S-Ss(Ss)Cs(CsCsH) - L4: S-Ss(Ss)Cs(CsCsCs) - L3: S-SsCd - L4: S-Ss(H)Cds(H) - L4: S-Ss(Cs)Cds(H) - L4: S-Ss(Ss)Cds(H) - L4: S-Ss(H)Cds(Cs) - L4: S-Ss(Cs)Cds(Cs) - L4: S-Ss(Ss)Cds(Cs) - L3: S-SsCt - L3: S-SsCb - L3: S-SsCO - L3: S-SsC=S - L2: S-SsH - L3: S-Ss(H)H - L3: S-Ss(Cs)H - L3: S-Ss(Ss)H - L2: S-HSs - L3: S-HSs(H) - L3: S-HSs(Cs) - L3: S-HSs(Ss) - L2: S-SsSs - L3: S-Ss(H)Ss(H) - L3: S-Ss(Cs)Ss(H) - L3: S-Ss(H)Ss(Cs) - L3: S-Ss(Ss)Ss(H) - L3: S-Ss(H)Ss(Ss) - L3: S-Ss(Cs)Ss(Cs) - L3: S-Ss(Cs)Ss(Ss) - L3: S-Ss(Ss)Ss(Cs) - L3: S-Ss(Ss)Ss(Ss) - -// Radical tree, see also H abstraction reactions - -L1: YJ - L2: Y_2centeradjbirad - L3: O2b - L3: C2b - L2: HJ - L2: CJ - L3: CsJ - L4: CsJ-HHH - L4: CsJ-CsHH - L4: CsJ-CsCsH - L4: CsJ-CsCsCs - L4: CsJ-OsHH - L4: CsJ-OsCsH - L4: CsJ-OsCsCs - L4: CsJ-OsOsH - L4: CsJ-OsOsCs - L4: CsJ-OsOsOs - L4: CsJ-SsHH - L4: CsJ-SsCsH - L4: CsJ-SsCsCs - L4: CsJ-SsSsH - L4: CsJ-SsSsCs - L4: CsJ-SsSsSs - L4: CsJ-OneDe - L5: CsJ-OneDeHH - L6: CsJ-CdHH - L6: CsJ-CtHH - L6: CsJ-CbHH - L6: CsJ-COHH - L6: CsJ-C=SHH - L5: CsJ-OneDeCsH - L6: CsJ-CdCsH - L6: CsJ-CtCsH - L6: CsJ-CbCsH - L6: CsJ-COCsH - L6: CsJ-C=SCsH - L5: CsJ-OneDeOsH - L5: CsJ-OneDeSsH - L5: CsJ-OneDeCsCs - L6: CsJ-CdCsCs - L6: CsJ-CtCsCs - L6: CsJ-CbCsCs - L6: CsJ-COCsCs - L6: CsJ-C=SCsCs - L5: CsJ-OneDeOsCs - L5: CsJ-OneDeSsCs - L5: CsJ-OneDeOsOs - L5: CsJ-OneDeOsSs - L5: CsJ-OneDeSsSs - L4: CsJ-TwoDe - L5: CsJ-TwoDeH - L6: CsJ-CdCdH - L6: CsJ-CdCtH - L6: CsJ-CdCbH - L6: CsJ-CdCOH - L6: CsJ-CdC=SH - L6: CsJ-CtCtH - L6: CsJ-CtCbH - L6: CsJ-CtCOH - L6: CsJ-CtC=SH - L6: CsJ-CbCbH - L6: CsJ-CbCOH - L6: CsJ-CbC=SH - L6: CsJ-COCOH - L6: CsJ-COC=SH - L6: CsJ-C=SC=SH - L5: CsJ-TwoDeCs - L6: CsJ-CdCdCs - L6: CsJ-CdCtCs - L6: CsJ-CdCbCs - L6: CsJ-CdCOCs - L6: CsJ-CdC=SCs - L6: CsJ-CtCtCs - L6: CsJ-CtCbCs - L6: CsJ-CtCOCs - L6: CsJ-CtC=SCs - L6: CsJ-CbCbCs - L6: CsJ-CbCOCs - L6: CsJ-CbC=SCs - L6: CsJ-COCOCs - L6: CsJ-COC=SCs - L6: CsJ-C=SC=SCs - L5: CsJ-TwoDeOs - L5: CsJ-TwoDeSs - L4: CsJ-ThreeDe - L3: CdsJ - L4: CdsJ-H - L4: CdsJ-Cs - L4: CdsJ-Cd - L4: CdsJ-Ct - L4: CdsJ-Cb - L4: CdsJ-CO - L4: CdsJ-C=S - L4: CdsJ-Os - L4: CdsJ-Ss - L3: CtJ - L3: CbJ - L3: C=SJ - L4: C=SJ-H - L4: C=SJ-Cs - L4: C=SJ-Cd - L4: C=SJ-Ct - L4: C=SJ-Cb - L4: C=SJ-CO - L4: C=SJ-C=S - L4: C=SJ-Os - L4: C=SJ-Ss - -// -// This section not updated yet -// - - L3: CO_rad - L4: CO_pri_rad - L4: CO_sec_rad - L5: CO_rad/NonDe - L5: CO_rad/OneDe - - L2: O_rad - L3: O_pri_rad - L3: O_sec_rad - L4: O_rad/NonDeC - L4: O_rad/NonDeO - L4: O_rad/OneDe - - L2: Y_1centerbirad - //L3: CO_birad - L3: O_atom_triplet - L3: CH2_triplet - -// -// Up to here -// - - L2: SJ - L3: SsJ - L4: SsJ-H - L4: SsJ-Cs - L4: SsJ-Ss - L4: SsJ-OneDe - L5: SsJ-Cd - L5: SsJ-Ct - L5: SsJ-Cb - L5: SsJ-CO - L5: SsJ-C=S - - - - - - - - - - - - - - - - diff --git a/output/RMG_database/kinetics_groups/Substitution_O/dictionary.txt b/output/RMG_database/kinetics_groups/Substitution_O/dictionary.txt deleted file mode 100644 index 53dc2e11da..0000000000 --- a/output/RMG_database/kinetics_groups/Substitution_O/dictionary.txt +++ /dev/null @@ -1,2434 +0,0 @@ -// dictionary for f24 - -// -// R-H Tree -// - -O-RR_or_RRrad -Union {O-RR,O-RRrad} - -O-RR -1 *1 Os 0 {2,S} {3,S} -2 *2 R 0 {1,S} -3 R 0 {1,S} - -O-RRrad -1 *1 Os 0 {2,S} {3,S} -2 *2 R 1 {1,S} -3 R 0 {1,S} - -O-HH -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} - -O-CH -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 C 0 {1,S} - -O-CsH -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} - -O-Cs(NonDe)H -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {H,Cs} 0 {3,S} -5 {H,Cs} 0 {3,S} -6 {H,Cs} 0 {3,S} - -O-Cs(HHH)H -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -O-Cs(CsHH)H -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -O-Cs(CsCsH)H -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -O-Cs(CsCsCs)H -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -O-Cs(OneDe)H -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {H,Cs} 0 {3,S} -5 {H,Cs} 0 {3,S} -6 {Cd,CO,Ct,Cb} 0 {3,S} - -O-Cs(CdHH)H -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cd 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -O-Cs(CdCsH)H -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cd 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -O-Cs(CdCsCs)H -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cd 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -O-Cs(CtHH)H -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Ct 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -O-Cs(CtCsH)H -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Ct 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -O-Cs(CtCsCs)H -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Ct 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -O-Cs(TwoDe)H -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {H,Cs} 0 {3,S} -5 {Cd,CO,Ct,Cb} 0 {3,S} -6 {Cd,CO,Ct,Cb} 0 {3,S} - -O-Cs(ThreeDe)H -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {Cd,CO,Ct,Cb} 0 {3,S} -5 {Cd,CO,Ct,Cb} 0 {3,S} -6 {Cd,CO,Ct,Cb} 0 {3,S} - -O-CdH -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -O-Cds(H)H -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} - -O-Cds(Cs)H -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} - -O-CtH -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} - -O-CbH -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cb 0 {1,S} - -O-COH -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 CO 0 {1,S} - -O-C=OH -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 Od 0 {3,D} - -O-HC -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 C 0 {1,S} - -O-HCs -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} - -O-HCs(NonDe) -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {H,Cs} 0 {3,S} -5 {H,Cs} 0 {3,S} -6 {H,Cs} 0 {3,S} - -O-HCs(HHH) -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -O-HCs(CsHH) -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -O-HCs(CsCsH) -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -O-HCs(CsCsCs) -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -O-HCs(OneDe) -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {H,Cs} 0 {3,S} -5 {H,Cs} 0 {3,S} -6 {Cd,CO,Ct,Cb} 0 {3,S} - -O-HCs(CdHH) -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cd 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -O-HCs(CdCsH) -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cd 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -O-HCs(CdCsCs) -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cd 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -O-HCs(CtHH) -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Ct 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -O-HCs(CtCsH) -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Ct 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -O-HCs(CtCsCs) -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Ct 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -O-HCs(TwoDe) -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {H,Cs} 0 {3,S} -5 {Cd,CO,Ct,Cb} 0 {3,S} -6 {Cd,CO,Ct,Cb} 0 {3,S} - -O-HCs(ThreeDe) -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {Cd,CO,Ct,Cb} 0 {3,S} -5 {Cd,CO,Ct,Cb} 0 {3,S} -6 {Cd,CO,Ct,Cb} 0 {3,S} - -O-HCd -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -O-HCds(H) -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} - -O-HCds(Cs) -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} - -O-HCt -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Ct 0 {1,S} - -O-HCb -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cb 0 {1,S} - -O-HCO -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 CO 0 {1,S} - -O-HC=O -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 Od 0 {3,D} - -O-CC -1 *1 Os 0 {2,S} {3,S} -2 *2 C 0 {1,S} -3 C 0 {1,S} - -O-CsCs -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} -3 Cs 0 {1,S} - -O-Cs(NonDe)Cs(NonDe) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {H,Cs} 0 {3,S} -8 {H,Cs} 0 {3,S} -9 {H,Cs} 0 {3,S} - -O-Cs(HHH)Cs(HHH) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -O-Cs(HHH)Cs(CsHH) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -O-Cs(CsHH)Cs(HHH) -1 *1 Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -O-Cs(HHH)Cs(CsCsH) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -O-Cs(CsCsH)Cs(HHH) -1 *1 Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -O-Cs(HHH)Cs(CsCsCs) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -O-Cs(CsCsCs)Cs(HHH) -1 *1 Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -O-Cs(CsHH)Cs(CsHH) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cs 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -O-Cs(CsHH)Cs(CsCsH) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 Cs 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -O-Cs(CsCsH)Cs(CsHH) -1 *1 Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 Cs 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -O-Cs(CsHH)Cs(CsCsCs) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -O-Cs(CsCsCs)Cs(CsHH) -1 *1 Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -O-Cs(CsCsH)Cs(CsCsH) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -O-Cs(CsCsH)Cs(CsCsCs) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -O-Cs(CsCsCs)Cs(CsCsH) -1 *1 Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -O-Cs(CsCsCs)Cs(CsCsCs) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -O-Cs(NonDe)Cs(De) -1 *1 Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 R 0 {3,S} -9 R 0 {3,S} - -O-Cs(NonDe)Cs(OneDe) -1 *1 Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 {H,Cs} 0 {3,S} -9 {H,Cs} 0 {3,S} - -O-Cs(HHH)Cs(CdHH) -1 *1 Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cd 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -O-Cs(HHH)Cs(CdCsH) -1 *1 Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cd 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -O-Cs(HHH)Cs(CdCsCs) -1 *1 Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cd 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -O-Cs(HHH)Cs(CtHH) -1 *1 Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Ct 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -O-Cs(HHH)Cs(CtCsH) -1 *1 Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Ct 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -O-Cs(HHH)Cs(CtCsCs) -1 *1 Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Ct 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -O-Cs(NonDe)Cs(TwoDe) -1 *1 Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 {Cd,Ct,Cb,CO} 0 {3,S} -9 {H,Cs} 0 {3,S} - -O-Cs(NonDe)Cs(ThreeDe) -1 *1 Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 {Cd,Ct,Cb,CO} 0 {3,S} -9 {Cd,Ct,Cb,CO} 0 {3,S} - -O-Cs(De)Cs(NonDe) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 R 0 {3,S} -9 R 0 {3,S} - -O-Cs(OneDe)Cs(NonDe) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 {H,Cs} 0 {3,S} -9 {H,Cs} 0 {3,S} - -O-Cs(CdHH)Cs(HHH) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cd 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -O-Cs(CdCsH)Cs(HHH) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cd 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -O-Cs(CdCsCs)Cs(HHH) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cd 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -O-Cs(CtHH)Cs(HHH) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Ct 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -O-Cs(CtCsH)Cs(HHH) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Ct 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -O-Cs(CtCsCs)Cs(HHH) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Ct 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -O-Cs(TwoDe)Cs(NonDe) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 {Cd,Ct,Cb,CO} 0 {3,S} -9 {H,Cs} 0 {3,S} - -O-Cs(ThreeDe)Cs(NonDe) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 {Cd,Ct,Cb,CO} 0 {3,S} -9 {Cd,Ct,Cb,CO} 0 {3,S} - -O-CsCd -1 *1 Os 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} -3 Cs 0 {1,S} -4 C 0 {2,D} - -O-Cs(HHH)Cds(H) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 H 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -O-Cs(CsHH)Cds(H) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 Cs 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -O-Cs(CsCsH)Cds(H) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 H 0 {3,S} - -O-Cs(CsCsCs)Cds(H) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -O-Cs(HHH)Cds(Cs) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 H 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -O-Cs(CsHH)Cds(Cs) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 Cs 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -O-Cs(CsCsH)Cds(Cs) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 H 0 {3,S} - -O-Cs(CsCsCs)Cds(Cs) -1 *1 Os 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -O-CdCs -1 *1 Os 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} -3 *2 Cs 0 {1,S} -4 C 0 {2,D} - -O-Cds(H)Cs(HHH) -1 *1 Os 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 H 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -O-Cds(H)Cs(CsHH) -1 *1 Os 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 Cs 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -O-Cds(H)Cs(CsCsH) -1 *1 Os 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 H 0 {3,S} - -O-Cds(H)Cs(CsCsCs) -1 *1 Os 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -O-Cds(Cs)Cs(HHH) -1 *1 Os 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 H 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -O-Cds(Cs)Cs(CsHH) -1 *1 Os 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 Cs 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -O-Cds(Cs)Cs(CsCsH) -1 *1 Os 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 H 0 {3,S} - -O-Cds(Cs)Cs(CsCsCs) -1 *1 Os 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -O-CsCt -1 *1 Os 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Cs 0 {1,S} - -O-CtCs -1 *1 Os 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 Cs 0 {1,S} - -O-Cs(HHH)Ct -1 *1 Os 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -O-CtCs(HHH) -1 *1 Os 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -O-Cs(CsHH)Ct -1 *1 Os 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -O-CtCs(CsHH) -1 *1 Os 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -O-Cs(CsCsH)Ct -1 *1 Os 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -O-CtCs(CsCsH) -1 *1 Os 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -O-Cs(CsCsCs)Ct -1 *1 Os 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -O-CtCs(CsCsCs) -1 *1 Os 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -O-CsCb -1 *1 Os 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cs 0 {1,S} - -O-CbCs -1 *1 Os 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Cs 0 {1,S} - -O-Cs(HHH)Cb -1 *1 Os 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -O-CbCs(HHH) -1 *1 Os 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -O-Cs(CsHH)Cb -1 *1 Os 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -O-CbCs(CsHH) -1 *1 Os 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -O-Cs(CsCsH)Cb -1 *1 Os 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -O-CbCs(CsCsH) -1 *1 Os 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -O-Cs(CsCsCs)Cb -1 *1 Os 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -O-CbCs(CsCsCs) -1 *1 Os 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -O-CsCO -1 *1 Os 0 {2,S} {3,S} -2 *2 CO 0 {1,S} -3 Cs 0 {1,S} - -O-COCs -1 *1 Os 0 {2,S} {3,S} -2 CO 0 {1,S} -3 *2 Cs 0 {1,S} - -O-CsC=O -1 *1 Os 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} -3 Cs 0 {1,S} -4 Od 0 {2,D} - -O-C=OCs -1 *1 Os 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} -3 *2 Cs 0 {1,S} -4 Od 0 {2,D} - -O-CdCd -1 *1 Os 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {5,D} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} -5 C 0 {2,D} - -O-CdCt -1 *1 Os 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -O-CtCd -1 *1 Os 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -O-CdCb -1 *1 Os 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -O-CbCd -1 *1 Os 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -O-CdCO -1 *1 Os 0 {2,S} {3,S} -2 *2 CO 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -O-COCd -1 *1 Os 0 {2,S} {3,S} -2 CO 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -O-CdC=O -1 *1 Os 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {5,D} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} -5 Od 0 {2,D} - -O-C=OCd -1 *1 Os 0 {2,S} {3,S} -2 Cd 0 {1,S} {5,D} -3 *2 Cd 0 {1,S} {4,D} -4 C 0 {3,D} -5 Od 0 {2,D} - -O-CtCt -1 *1 Os 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Ct 0 {1,S} - -O-CtCb -1 *1 Os 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Ct 0 {1,S} - -O-CbCt -1 *1 Os 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Ct 0 {1,S} - -O-CtCO -1 *1 Os 0 {2,S} {3,S} -2 *2 CO 0 {1,S} -3 Ct 0 {1,S} - -O-COCt -1 *1 Os 0 {2,S} {3,S} -2 CO 0 {1,S} -3 *2 Ct 0 {1,S} - -O-CtC=O -1 *1 Os 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} -3 Ct 0 {1,S} -4 Od 0 {2,D} - -O-C=OCt -1 *1 Os 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} -3 *2 Ct 0 {1,S} -4 Od 0 {2,D} - -O-CbCb -1 *1 Os 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cb 0 {1,S} - -O-CbCO -1 *1 Os 0 {2,S} {3,S} -2 *2 CO 0 {1,S} -3 Cb 0 {1,S} - -O-COCb -1 *1 Os 0 {2,S} {3,S} -2 CO 0 {1,S} -3 *2 Cb 0 {1,S} - -O-CbC=O -1 *1 Os 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} -3 Cb 0 {1,S} -4 Od 0 {2,D} - -O-C=OCb -1 *1 Os 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} -3 *2 Cb 0 {1,S} -4 Od 0 {2,D} - -O-COCO -1 *1 Os 0 {2,S} {3,S} -2 *2 CO 0 {1,S} -3 CO 0 {1,S} - -O-COC=O -1 *1 Os 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} -3 CO 0 {1,S} -4 Od 0 {2,D} - -O-C=OCO -1 *1 Os 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} -3 *2 CO 0 {1,S} -4 Od 0 {2,D} - -O-C=OC=O -1 *1 Os 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} -3 Cd 0 {1,S} {5,D} -4 Od 0 {2,D} -5 Od 0 {3,D} - -O-CS -1 *1 Os 0 {2,S} {3,S} -2 *2 O 0 {1,S} -3 C 0 {1,S} - -O-COss -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} -3 Cs 0 {1,S} - -O-Cs(HHH)Os(H) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -O-Cs(CsHH)Os(H) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -O-Cs(CsCsH)Os(H) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 H 0 {3,S} - -O-Cs(CsCsCs)Os(H) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -O-Cs(HHH)Os(Cs) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -O-Cs(CsHH)Os(Cs) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -O-Cs(CsCsH)Os(Cs) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 H 0 {3,S} - -O-Cs(CsCsCs)Os(Cs) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -O-Cs(HHH)Os(Os) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Os 0 {2,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -O-Cs(CsHH)Os(Os) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Os 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -O-Cs(CsCsH)Os(Os) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Os 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 H 0 {3,S} - -O-Cs(CsCsCs)Os(Os) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Os 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -O-CdOs -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -O-Cds(H)Os(H) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {6,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} -6 H 0 {2,S} - -O-Cds(H)Os(Cs) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {6,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} -6 Cs 0 {2,S} - -O-Cds(H)Os(Os) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {6,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} -6 Os 0 {2,S} - -O-Cds(Cs)Os(H) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {6,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} -6 H 0 {2,S} - -O-Cds(Cs)Os(Cs) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {6,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} -6 Cs 0 {2,S} - -O-Cds(Cs)Os(Os) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {6,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} -6 Os 0 {2,S} - -O-CtOs -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} -3 Ct 0 {1,S} - -O-CbOs -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} -3 Cb 0 {1,S} - -O-COOs -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} -3 CO 0 {1,S} - -O-C=OOs -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 Od 0 {3,D} - -O-SC -1 *1 Os 0 {2,S} {3,S} -2 O 0 {1,S} -3 *2 C 0 {1,S} - -O-OsCs -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} -3 *2 Cs 0 {1,S} - -O-Os(H)Cs(HHH) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -O-Os(H)Cs(CsHH) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -O-Os(H)Cs(CsCsH) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 H 0 {3,S} - -O-Os(H)Cs(CsCsCs) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -O-Os(Cs)Cs(HHH) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -O-Os(Cs)Cs(CsHH) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -O-Os(Cs)Cs(CsCsH) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 H 0 {3,S} - -O-Os(Cs)Cs(CsCsCs) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -O-Os(Os)Cs(HHH) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Os 0 {2,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -O-Os(Os)Cs(CsHH) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Os 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -O-Os(Os)Cs(CsCsH) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Os 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 H 0 {3,S} - -O-Os(Os)Cs(CsCsCs) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Os 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -O-OsCd -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -O-Os(H)Cds(H) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {6,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} -6 H 0 {2,S} - -O-Os(Cs)Cds(H) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {6,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} -6 Cs 0 {2,S} - -O-Os(Os)Cds(H) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {6,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} -6 Os 0 {2,S} - -O-Os(H)Cds(Cs) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {6,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} -6 H 0 {2,S} - -O-Os(Cs)Cds(Cs) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {6,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} -6 Cs 0 {2,S} - -O-Os(Os)Cds(Cs) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {6,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} -6 Os 0 {2,S} - -O-OsCt -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} -3 *2 Ct 0 {1,S} - -O-OsCb -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} -3 *2 Cb 0 {1,S} - -O-OsCO -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} -3 *2 CO 0 {1,S} - -O-OsC=O -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 Od 0 {3,D} - -O-OsH -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Os 0 {1,S} - -O-Os(H)H -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Os 0 {1,S} {4,S} -4 H 0 {3,S} - -O-Os(Cs)H -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Os 0 {1,S} {4,S} -4 Cs 0 {3,S} - -O-Os(Os)H -1 *1 Os 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Os 0 {1,S} {4,S} -4 Os 0 {3,S} - -O-HOs -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Os 0 {1,S} - -O-HOs(H) -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Os 0 {1,S} {4,S} -4 H 0 {3,S} - -O-HOs(Cs) -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Os 0 {1,S} {4,S} -4 Cs 0 {3,S} - -O-HOs(Os) -1 *1 Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Os 0 {1,S} {4,S} -4 Os 0 {3,S} - -O-OsOs -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} -3 Os 0 {1,S} - -O-Os(H)Os(H) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {5,S} -3 Os 0 {1,S} {4,S} -4 H 0 {3,S} -5 H 0 {2,S} - -O-Os(Cs)Os(H) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {5,S} -3 Os 0 {1,S} {4,S} -4 Cs 0 {3,S} -5 H 0 {2,S} - -O-Os(H)Os(Cs) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {5,S} -3 *2 Os 0 {1,S} {4,S} -4 Cs 0 {3,S} -5 H 0 {2,S} - -O-Os(Os)Os(H) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {5,S} -3 Os 0 {1,S} {4,S} -4 Os 0 {3,S} -5 H 0 {2,S} - -O-Os(H)Os(Os) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {5,S} -3 *2 Os 0 {1,S} {4,S} -4 Os 0 {3,S} -5 H 0 {2,S} - -O-Os(Cs)Os(Cs) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {5,S} -3 Os 0 {1,S} {4,S} -4 Cs 0 {3,S} -5 Cs 0 {2,S} - -O-Os(Cs)Os(Os) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {5,S} -3 Os 0 {1,S} {4,S} -4 Cs 0 {3,S} -5 Os 0 {2,S} - -O-Os(Os)Os(Cs) -1 *1 Os 0 {2,S} {3,S} -2 Os 0 {1,S} {5,S} -3 *2 Os 0 {1,S} {4,S} -4 Cs 0 {3,S} -5 Os 0 {2,S} - -O-Os(Os)Os(Os) -1 *1 Os 0 {2,S} {3,S} -2 *2 Os 0 {1,S} {5,S} -3 Os 0 {1,S} {4,S} -4 Os 0 {3,S} -5 Os 0 {2,S} - -// -// RJ Tree -// - -YJ -union {Y_2centeradjbirad, HJ, CJ, O_rad, OJ, Y_1centerbirad} - -Y_2centeradjbirad -1 *3 {Ct,Os} 1 {2,{S,T}} -2 {Ct,Os} 1 {1,{S,T}} - -HJ -1 *3 H 1 - -CJ -1 *3 C 1 - -CsJ -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-HHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-OsOsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 H 0 {1,S} - -CsJ-OsOsOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} - -CsJ-OsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-OsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OsOsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {H,Cs,Os,Os} 0 {1,S} -4 {H,Cs,Os,Os} 0 {1,S} - -CsJ-OneDeHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CtHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CbHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-COHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-C=OHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 Od 0 {2,D} - -CsJ-OneDeCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CtCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CbCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-COCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-C=OCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Od 0 {2,D} - -CsJ-OneDeCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CtCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-COCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-C=OCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Od 0 {2,D} - -CsJ-OneDeOsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 H 0 {1,S} - -CsJ-OneDeOsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OneDeOsOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} - -CsJ-OneDeOOss -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} - -CsJ-TwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Os} 0 {1,S} - -CsJ-TwoDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -CsJ-CdCtH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 CO 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdC=OH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 C 0 {2,D} -6 Od 0 {3,D} - -CsJ-CtCtH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ct 0 {1,S} -4 H 0 {1,S} - -CsJ-CtCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cb 0 {1,S} -4 H 0 {1,S} - -CsJ-CtCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-CtC=OH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Od 0 {3,D} - -CsJ-CbCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cb 0 {1,S} -4 H 0 {1,S} - -CsJ-CbCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-CbC=OH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Od 0 {3,D} - -CsJ-COCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-COC=OH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Od 0 {3,D} - -CsJ-C=OC=OH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 Od 0 {2,D} -6 Od 0 {3,D} - -CsJ-TwoDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -CsJ-CdCtCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 CO 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdC=OCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 C 0 {2,D} -6 Od 0 {3,D} - -CsJ-CtCtCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtC=OCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Od 0 {3,D} - -CsJ-CbCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbC=OCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Od 0 {3,D} - -CsJ-COCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-COC=OCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Od 0 {3,D} - -CsJ-C=OC=OCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 Od 0 {2,D} -6 Od 0 {3,D} - -CsJ-TwoDeOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Os 0 {1,S} - -CsJ-ThreeDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-H -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-Cs -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-Cd -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-Ct -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Ct 0 {1,S} - -CdsJ-Cb -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cb 0 {1,S} - -CdsJ-CO -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 CO 0 {1,S} - -CdsJ-C=O -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 Od 0 {3,D} - -CdsJ-Os -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Os 0 {1,S} - -CtJ -1 *3 Ct 1 {2,T} -2 C 0 {1,T} - -CbJ -1 *3 Cb 1 - -C=OJ -1 *3 Cd 1 {2,D}, {3,S} -2 Od 0 {1,D} -3 R 0 {1,S} - -C=OJ-H -1 *3 Cd 1 {2,D}, {3,S} -2 Od 0 {1,D} -3 H 0 {1,S} - -C=OJ-Cs -1 *3 Cd 1 {2,D}, {3,S} -2 Od 0 {1,D} -3 Cs 0 {1,S} - -C=OJ-Cd -1 *3 Cd 1 {2,D}, {3,S} -2 Od 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -C=OJ-Ct -1 *3 Cd 1 {2,D}, {3,S} -2 Od 0 {1,D} -3 Ct 0 {1,S} - -C=OJ-Cb -1 *3 Cd 1 {2,D}, {3,S} -2 Od 0 {1,D} -3 Cb 0 {1,S} - -C=OJ-CO -1 *3 Cd 1 {2,D}, {3,S} -2 Od 0 {1,D} -3 CO 0 {1,S} - -C=OJ-C=O -1 *3 Cd 1 {2,D}, {3,S} -2 Od 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 Od 0 {3,D} - -C=OJ-Os -1 *3 Cd 1 {2,D}, {3,S} -2 Od 0 {1,D} -3 Os 0 {1,S} - -CO_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 R 0 {1,S} - -CO_pri_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 H 0 {1,S} - -CO_sec_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {R!H} 0 {1,S} - -CO_rad/NonDe -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cs,O} 0 {1,S} - -C2b -1 *3 C 1 {2,T} -2 C 1 {1,T} - - -CO_rad/OneDe -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -O_rad -1 *3 O 1 {2,S} -2 R 0 {1,S} - -O_pri_rad -1 *3 O 1 {2,S} -2 H 0 {1,S} - -O_sec_rad -1 *3 O 1 {2,S} -2 {R!H} 0 {1,S} - -O_rad/NonDeC -1 *3 O 1 {2,S} -2 Cs 0 {1,S} - -O_rad/NonDeO -1 *3 O 1 {2,S} -2 O 0 {1,S} - -O_rad/OneDe -1 *3 O 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -O2b -1 *3 O 1 {2,S} -2 O 1 {1,S} - -Y_1centerbirad -1 *3 {Cs,Cd,O} 2T - -//CO_birad -//1 *3 C 2T {2,D} -//2 O 0 {1,D} - -O_atom_triplet -1 *3 O 2 - -CH2_triplet -1 *3 C 2 {2,S}, {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -OJ -1 *3 Os 1 - -OsJ -1 *3 Os 1 {2,S} -2 R 0 {1,S} - -OsJ-H -1 *3 Os 1 {2,S} -2 H 0 {1,S} - -OsJ-Cs -1 *3 Os 1 {2,S} -2 Cs 0 {1,S} - -OsJ-Os -1 *3 Os 1 {2,S} -2 Os 0 {1,S} - -OsJ-OneDe -1 *3 Os 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -OsJ-Cd -1 *3 Os 1 {2,S} -2 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -OsJ-Ct -1 *3 Os 1 {2,S} -2 Ct 0 {1,S} - -OsJ-Cb -1 *3 Os 1 {2,S} -2 Cb 0 {1,S} - -OsJ-CO -1 *3 Os 1 {2,S} -2 CO 0 {1,S} - -OsJ-C=O -1 *3 Os 1 {2,S} -2 Cd 0 {1,S}, {3,D} -3 Od 0 {2,D} - diff --git a/output/RMG_database/kinetics_groups/Substitution_O/rateLibrary.txt b/output/RMG_database/kinetics_groups/Substitution_O/rateLibrary.txt deleted file mode 100644 index c4db3bdab2..0000000000 --- a/output/RMG_database/kinetics_groups/Substitution_O/rateLibrary.txt +++ /dev/null @@ -1,137 +0,0 @@ -Arrhenius_EP - -// Defined as forward, so also include reverse reactions! Calculations by Yury V. Suleymanov - - -//No. O-R1R2 YJ Temp. A n a E0 DA Dn Da DE0 Rank Comments -1 O-HCs(HHH) HJ 500-2000 3.90416e+01 4.3597 0.0 19.0981357553 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -2 O-HCs(CsHH) HJ 500-2000 5.56788e+03 3.20344 0.0 20.4702437859 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -3 O-HCs(CsCsH) HJ 500-2000 1.14441e+05 2.92889 0.0 21.7186424474 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -4 O-HCs(CsCsCs) HJ 500-2000 1.20136e+07 2.47266 0.0 21.4759082218 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -5 O-HCds(H) HJ 500-2000 2.11470e+05 2.48131 0.0 28.7488049713 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -6 O-HCds(Cs) HJ 500-2000 1.77054e+06 2.2995 0.0 27.1044455067 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -7 O-HCs(CdHH) HJ 500-2000 8.34234e+00 3.69086 0.0 14.8008126195 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -8 O-HCs(CdCsH) HJ 500-2000 8.63518e+01 3.29954 0.0 15.4575047801 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -9 O-HCs(CdCsCs) HJ 500-2000 6.16450e+04 2.05568 0.0 17.7974665392 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -10 O-HCs(CtHH) HJ 500-2000 3.89816e+02 3.3844 0.0 15.9482552581 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -11 O-HCs(CtCsH) HJ 500-2000 1.35928e+05 2.59024 0.0 16.468833652 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -12 O-HCs(CtCsCs) HJ 500-2000 1.78246e+05 2.81287 0.0 16.6331022945 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -13 O-Cs(HHH)Cs(HHH) HJ 500-2000 3.38250e+04 2.90685 0.0 24.37500 0 0 0 0 3 CB0-QB3 (1DHR) -14 O-Cs(HHH)Cs(CsHH) HJ 500-2000 5.52923e+05 2.23663 0.0 23.2700525813 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -15 O-Cs(HHH)Cs(CsCsH) HJ 500-2000 7.91931e+03 2.85451 0.0 22.9407026769 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -16 O-Cs(HHH)Cs(CsCsCs) HJ 500-2000 5.31083e+03 3.32233 0.0 21.1912045889 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -17 O-Cs(HHH)Cds(H) HJ 500-2000 5.84382e+09 0.40855 0.0 30.3592256214 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -18 O-Cs(HHH)Cds(Cs) HJ 500-2000 2.01997e+11 0.59721 0.0 31.5375239006 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -19 O-Cs(HHH)Cs(CdHH) HJ 500-2000 2.71178e-01 4.39592 0.0 14.8450525813 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -20 O-Cs(HHH)Cs(CdCsH) HJ 500-2000 3.98648e+01 3.10695 0.0 14.9908699809 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -21 O-Cs(HHH)Cs(CdCsCs) HJ 500-2000 7.27488E+00 3.93967 0.0 18.64806 0 0 0 0 3 CB0-QB3 (1DHR) -22 O-Cs(HHH)Cs(CtHH) HJ 500-2000 7.46326e+01 3.47951 0.0 16.8647227533 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -23 O-Cs(HHH)Cs(CtCsH) HJ 500-2000 2.08417e+03 2.71832 0.0 18.1928776291 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -24 O-Cs(HHH)Cs(CtCsCs) HJ 500-2000 3.59997e+03 3.2324 0.0 18.0013145315 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -26 O-Cs(CsHH)Cs(HHH) HJ 500-2000 8.85514e+03 2.87556 0.0 22.3007648184 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -27 O-Cs(CsCsH)Cs(HHH) HJ 500-2000 4.31229e+00 3.87313 0.0 22.7173996176 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -28 O-Cs(CsCsCs)Cs(HHH) HJ 500-2000 1.02268e+00 4.01774 0.0 21.6108986616 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -29 O-Cds(H)Cs(HHH) HJ 500-2000 2.02830e+01 3.09138 0.0 24.8334130019 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -30 O-Cds(Cs)Cs(HHH) HJ 500-2000 1.25685e+01 3.66046 0.0 26.2117590822 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -31 O-Cs(CdHH)Cs(HHH) HJ 500-2000 1.31885e+02 3.52145 0.0 21.8757887189 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -32 O-Cs(CdCsH)Cs(HHH) HJ 500-2000 4.59721e-02 4.358 0.0 20.8632409178 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -33 O-Cs(CdCsCs)Cs(HHH) HJ 500-2000 6.46694e-04 4.90628 0.0 24.58078 0 0 0 0 3 CB0-QB3 (1DHR) -35 O-Cs(CtCsH)Cs(HHH) HJ 500-2000 7.31898e-01 4.2888 0.0 22.1527007648 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -37 O-HCs(HHH) CsJ-HHH 500-2000 1.12231e+01 3.62912 0.0 39.2014818356 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -38 O-HCs(CsHH) CsJ-HHH 500-2000 3.93494e+01 4.19271 0.0 40.7447418738 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -39 O-HCs(CsCsH) CsJ-HHH 500-2000 1.79865e+03 3.18285 0.0 40.2406787763 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -40 O-HCs(CsCsCs) CsJ-HHH 500-2000 7.47648e+05 2.3481 0.0 41.1118546845 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -41 O-HCds(H) CsJ-HHH 500-2000 3.25038e+03 3.24041 0.0 49.8534894837 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -42 O-HCds(Cs) CsJ-HHH 500-2000 3.51813e+06 1.59641 0.0 48.0893881453 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -43 O-HCs(CdHH) CsJ-HHH 500-2000 5.37217e-02 3.93783 0.0 32.0064531549 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -44 O-HCs(CdCsH) CsJ-HHH 500-2000 1.29521e-08 5.86437 0.0 38.1608508604 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -45 O-HCs(CdCsCs) CsJ-HHH 500-2000 3.49022e-09 6.15234 0.0 38.6266730402 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -46 O-HCs(CtHH) CsJ-HHH 500-2000 4.01198e+02 3.12619 0.0 33.2664913958 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -47 O-HCs(CtCsH) CsJ-HHH 500-2000 2.11514e+03 3.15487 0.0 33.8102294455 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -48 O-HCs(CtCsCs) CsJ-HHH 500-2000 7.60579e+04 1.88123 0.0 33.2447418738 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -51 O-HOs(H) HJ 500-2000 1.28437e+08 1.83697 0.0 4.77337476099 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -52 O-Cs(HHH)Os(H) HJ 500-2000 8.01017e+06 1.98323 0.0 6.7823374761 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -53 O-HOs(Cs) HJ 500-2000 6.59061e+07 1.81476 0.0 4.54108508604 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -54 O-Cs(HHH)Os(Cs) HJ 500-2000 7.02751e+10 0.29359 0.0 6.33989005736 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -55 O-HOs(H) CsJ-HHH 500-2000 4.45599e+04 2.58699 0.0 9.86622848948 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -56 O-HOs(Cs) CsJ-HHH 500-2000 2.65267e+04 2.4453 0.0 9.77179732314 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -57 O-Cs(HHH)Os(H) CsJ-HHH 500-2000 2.09895e+04 2.47358 0.0 13.64735 0 0 0 0 3 CB0-QB3 (1DHR) -58 O-Cs(HHH)Os(Cs) CsJ-HHH 500-2000 1.29960e+07 1.07449 0.0 12.83219 0 0 0 0 3 CB0-QB3 (1DHR) -59 O-Os(H)Os(H) HJ 500-2000 3.73772e+06 2.13626 0.0 8.8850621414 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -60 O-HOs(Os) HJ 500-2000 7.17266e+08 1.4407 0.0 4.33812141491 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -61 O-Os(Cs)Os(H) HJ 500-2000 2.95051e+06 2.54316 0.0 8.72631453155 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -62 O-Cs(HHH)Os(Os) HJ 500-2000 9.56529e+07 2.045 0.0 7.70274856597 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -64 O-Os(H)Os(Cs) HJ 500-2000 1.24090e+06 2.35959 0.0 8.92478489484 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -67 O-Os(Cs)Os(Cs) HJ 500-2000 7.95424e+06 2.71236 0.0 9.11699330784 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -69 O-Os(H)Os(H) CsJ-HHH 500-2000 1.11949e+03 3.06029 0.0 13.876123327 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -70 O-HOs(Os) CsJ-HHH 500-2000 1.79427e+04 2.60187 0.0 8.41087476099 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -71 O-Os(H)Os(Cs) CsJ-HHH 500-2000 1.52659e+05 2.22409 0.0 14.0442399618 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -72 O-Cs(HHH)Os(Os) CsJ-HHH 500-2000 1.01433e+05 2.72306 0.0 13.7891013384 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -73 O-Os(Cs)Os(H) CsJ-HHH 500-2000 2.60161e+04 2.61392 0.0 15.0157743786 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -75 O-Os(Cs)Os(Cs) CsJ-HHH 500-2000 9.84025e+04 2.87073 0.0 13.9465583174 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -77 O-HH CsJ-HHH 500-2000 7.08537e-03 5.12614 0.0 44.8893403442 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -78 O-HH CsJ-CsHH 500-2000 4.52921e-01 3.53834 0.0 44.5143403442 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -79 O-HH CsJ-CsCsH 500-2000 2.40815e-05 5.13525 0.0 43.9651051625 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -80 O-HH CsJ-CsCsCs 500-2000 6.87045e-06 5.03769 0.0 41.7182122371 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -81 O-HH CdsJ-H 500-2000 1.47515e-02 4.11084 0.0 37.8809751434 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -82 O-HH CdsJ-Cs 500-2000 1.41330e-02 4.04095 0.0 37.0712237094 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -83 O-HH CsJ-CdHH 500-2000 3.37211e-04 4.79715 0.0 54.0635755258 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -84 O-HH CsJ-CdCsH 500-2000 1.06961e-04 4.07435 0.0 51.1252390057 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -85 O-HH CsJ-CdCsCs 500-2000 5.39936e-06 4.75792 0.0 54.0086042065 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -86 O-HH CsJ-CtHH 500-2000 9.00586e-04 4.62782 0.0 52.5439770554 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -87 O-HH CsJ-CtCsH 500-2000 2.66769e-04 4.5494 0.0 50.9634321224 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -88 O-HH CsJ-CtCsCs 500-2000 9.15707e-07 5.48115 0.0 50.1266730402 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -89 O-Cs(HHH)H CsJ-HHH 500-2000 2.02386e-06 5.80487 0.0 41.8042543021 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -90 O-Cs(HHH)H CsJ-CsHH 500-2000 8.43164e-05 4.81746 0.0 42.4259082218 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -91 O-Cs(HHH)H CsJ-CsCsH 500-2000 2.62031e-09 6.05127 0.0 41.1163957935 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -92 O-Cs(HHH)H CsJ-CsCsCs 500-2000 4.95558e-11 6.18012 0.0 39.6261950287 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -93 O-Cs(HHH)H CdsJ-H 500-2000 1.66055e-02 3.78744 0.0 32.9423996176 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -94 O-Cs(HHH)H CdsJ-Cs 500-2000 3.41995e-03 3.88799 0.0 33.7851338432 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -95 O-Cs(HHH)H CsJ-CdHH 500-2000 1.76802e-08 6.23988 0.0 48.9366634799 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -96 O-Cs(HHH)H CsJ-CdCsH 500-2000 1.44203e-07 4.39147 0.0 47.0848470363 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -97 O-Cs(HHH)H CsJ-CdCsCs 500-2000 2.78109E-13 7.37017 0.0 50.09202 0 0 0 0 3 CB0-QB3 (1DHR) -98 O-Cs(HHH)H CsJ-CtHH 500-2000 1.01409e-07 5.81184 0.0 48.4514818356 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -99 O-Cs(HHH)H CsJ-CtCsH 500-2000 1.75102e-08 5.1553 0.0 47.0893881453 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -100 O-Cs(HHH)H CsJ-CtCsCs 500-2000 3.82635e-11 6.50124 0.0 47.3836042065 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -102 O-Cs(CsHH)H CsJ-HHH 500-2000 3.01263e-06 5.88794 0.0 43.2038718929 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -103 O-Cs(CsCsH)H CsJ-HHH 500-2000 1.23057e-06 5.62998 0.0 44.4378585086 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -104 O-Cs(CsCsCs)H CsJ-HHH 500-2000 3.02826e-06 5.07693 0.0 45.5946462715 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -105 O-Cds(H)H CsJ-HHH 500-2000 1.49946e-07 5.60717 0.0 44.40583174 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -106 O-Cds(Cs)H CsJ-HHH 500-2000 4.83798e-09 5.97622 0.0 43.9536328872 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -107 O-Cs(CdHH)H CsJ-HHH 500-2000 3.17010e-05 4.92691 0.0 41.6393403442 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -108 O-Cs(CdCsH)H CsJ-HHH 500-2000 2.30403e-08 5.77538 0.0 43.2946940727 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -109 O-Cs(CdCsCs)H CsJ-HHH 500-2000 1.76943e-10 6.31699 0.0 44.73542 0 0 0 0 3 CB0-QB3 (1DHR) -111 O-Cs(CtCsH)H CsJ-HHH 500-2000 1.04813e-07 5.68858 0.0 42.2366156788 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -113 O-HCs(HHH) CsJ-HHH 500-2000 1.12231e+01 3.62912 0.0 39.2014818356 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -114 O-HCs(HHH) CsJ-CsHH 500-2000 1.76374e+01 3.76118 0.0 38.9976099426 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -115 O-HCs(HHH) CsJ-CsCsH 500-2000 2.08552e-03 4.62276 0.0 36.6959847036 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -116 O-HCs(HHH) CsJ-CsCsCs 500-2000 2.35600e-03 4.14669 0.0 35.5628585086 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -117 O-HCs(HHH) CdsJ-H 500-2000 1.24935e+00 4.10349 0.0 33.1943116635 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -118 O-HCs(HHH) CdsJ-Cs 500-2000 1.54741e+02 2.57143 0.0 32.2648183556 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -119 O-HCs(HHH) CsJ-CdHH 500-2000 1.19654e-02 4.27768 0.0 45.4777724665 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -120 O-HCs(HHH) CsJ-CdCsH 500-2000 8.84018e-11 5.87274 0.0 48.0372848948 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -121 O-HCs(HHH) CsJ-CdCsCs 500-2000 1.68446e-15 8.08814 0.0 49.0466061185 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -122 O-HCs(HHH) CsJ-CtHH 500-2000 5.10728e+00 3.60317 0.0 44.0709847036 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -123 O-HCs(HHH) CsJ-CtCsH 500-2000 2.28734e-02 4.3476 0.0 42.513623327 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -124 O-HCs(HHH) CsJ-CtCsCs 500-2000 2.15301e-03 3.78307 0.0 40.9471797323 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -127 O-HH OsJ-H 500-2000 1.45214e+04 2.91678 0.0 72.6137667304 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -128 O-Cs(HHH)H OsJ-H 500-2000 1.10699e+01 3.50482 0.0 66.0387189293 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -129 O-HH OsJ-Cs 500-2000 5.61118e+02 3.18249 0.0 77.5712237094 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -130 O-Cs(HHH)H OsJ-Cs 500-2000 1.05378e+00 3.66741 0.0 71.5518642447 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -131 O-HCs(HHH) OsJ-H 500-2000 2.77605e+04 2.90036 0.0 51.4342734226 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -132 O-HCs(HHH) OsJ-Cs 500-2000 1.24445e+03 3.04659 0.0 57.0105162524 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -133 O-Cs(HHH)Cs(HHH) OsJ-H 500-2000 2.32644e+07 1.47906 0.0 52.34154 0 0 0 0 3 CB0-QB3 (1DHR) -134 O-Cs(HHH)Cs(HHH) OsJ-Cs 500-2000 1.17221e+05 1.93220 0.0 57.37285 0 0 0 0 3 CB0-QB3 (1DHR) -135 O-Os(H)H OsJ-H 500-2000 2.78991e-03 4.75128 0.0 60.7490439771 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -136 O-HH OsJ-Os 500-2000 2.67498e-02 4.5091 0.0 87.36161567886 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -137 O-Os(Cs)H OsJ-H 500-2000 7.81287e-04 5.15922 0.0 59.9825525813 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -138 O-Cs(HHH)H OsJ-Os 500-2000 1.54686e-05 5.55622 0.0 82.0155353728 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -140 O-Os(H)H OsJ-Cs 500-2000 2.47435e-05 5.26357 0.0 65.8518164436 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -143 O-Os(Cs)H OsJ-Cs 500-2000 2.92558e-06 5.89053 0.0 65.4297323136 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -145 O-Os(H)Cs(HHH) OsJ-H 500-2000 3.76691e-01 4.46709 0.0 48.051625239 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -146 O-HCs(HHH) OsJ-Os 500-2000 3.68718e-03 4.90384 0.0 65.6429254302 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -147 O-Os(H)Cs(HHH) OsJ-Cs 500-2000 1.37223e+00 3.91986 0.0 53.2829827916 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -148 O-Cs(HHH)Cs(HHH) OsJ-Os 500-2000 1.31108E+01 3.71859 0.0 67.95053 0 0 0 0 3 CB0-QB3 (1DHR) -149 O-Os(Cs)Cs(HHH) OsJ-H 500-2000 2.15526e+04 2.45745 0.0 48.2989961759 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 -151 O-Os(Cs)Cs(HHH) OsJ-Cs 500-2000 3.60160e-03 5.31614 0.0 16.0093212237 0 0 0 0 3 CB0-QB3 (1DHR)/UCCSD(T)-F12/vdz-f12 - diff --git a/output/RMG_database/kinetics_groups/Substitution_O/reactionAdjList.txt b/output/RMG_database/kinetics_groups/Substitution_O/reactionAdjList.txt deleted file mode 100644 index 7c1eb327eb..0000000000 --- a/output/RMG_database/kinetics_groups/Substitution_O/reactionAdjList.txt +++ /dev/null @@ -1,22 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Yury Suleymanov 23 jan 2012 // -// // -////////////////////////////////////////////////////// - - -// f24 Substitution on O - -O-RR_or_RRrad + YJ -> YJ + O-RR_or_RRrad - -thermo_consistence - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) FORM_BOND {*1,S,*3} -(3) GAIN_RADICAL {*2,1} -(4) LOSE_RADICAL {*3,1} - - diff --git a/output/RMG_database/kinetics_groups/Substitution_O/tree.txt b/output/RMG_database/kinetics_groups/Substitution_O/tree.txt deleted file mode 100644 index 7ceffbf072..0000000000 --- a/output/RMG_database/kinetics_groups/Substitution_O/tree.txt +++ /dev/null @@ -1,376 +0,0 @@ -// -// Tree developed by Yury Suleymanov Jan 20th 2012 -// -// Molecule tree departs from the idea that the rates are dependent of both -// groups neighboring the sulfur atom -// -// Radical tree is exactly the same as for H abOtraction reactions -// - -L1: O-RR_or_RRrad - L2: O-RR - L3: O-HH - L3: O-CH - L4: O-CsH - L5: O-Cs(NonDe)H - L6: O-Cs(HHH)H - L6: O-Cs(CsHH)H - L6: O-Cs(CsCsH)H - L6: O-Cs(CsCsCs)H - L5: O-Cs(OneDe)H - L6: O-Cs(CdHH)H - L6: O-Cs(CdCsH)H - L6: O-Cs(CdCsCs)H - L6: O-Cs(CtHH)H - L6: O-Cs(CtCsH)H - L6: O-Cs(CtCsCs)H - L5: O-Cs(TwoDe)H - L5: O-Cs(ThreeDe)H - L4: O-CdH - L5: O-Cds(H)H - L5: O-Cds(Cs)H - L4: O-CtH - L4: O-CbH - L4: O-COH - L4: O-C=OH - L3: O-HC - L4: O-HCs - L5: O-HCs(NonDe) - L6: O-HCs(HHH) - L6: O-HCs(CsHH) - L6: O-HCs(CsCsH) - L6: O-HCs(CsCsCs) - L5: O-HCs(OneDe) - L6: O-HCs(CdHH) - L6: O-HCs(CdCsH) - L6: O-HCs(CdCsCs) - L6: O-HCs(CtHH) - L6: O-HCs(CtCsH) - L6: O-HCs(CtCsCs) - L5: O-HCs(TwoDe) - L5: O-HCs(ThreeDe) - L4: O-HCd - L5: O-HCds(H) - L5: O-HCds(Cs) - L4: O-HCt - L4: O-HCb - L4: O-HCO - L4: O-HC=O - L3: O-CC - L4: O-CsCs - L5:O-Cs(NonDe)Cs(NonDe) - L6: O-Cs(HHH)Cs(HHH) - L6: O-Cs(HHH)Cs(CsHH) - L6: O-Cs(CsHH)Cs(HHH) - L6: O-Cs(HHH)Cs(CsCsH) - L6: O-Cs(CsCsH)Cs(HHH) - L6: O-Cs(HHH)Cs(CsCsCs) - L6: O-Cs(CsCsCs)Cs(HHH) - L6: O-Cs(CsHH)Cs(CsHH) - L6: O-Cs(CsHH)Cs(CsCsH) - L6: O-Cs(CsCsH)Cs(CsHH) - L6: O-Cs(CsHH)Cs(CsCsCs) - L6: O-Cs(CsCsCs)Cs(CsHH) - L6: O-Cs(CsCsH)Cs(CsCsH) - L6: O-Cs(CsCsH)Cs(CsCsCs) - L6: O-Cs(CsCsCs)Cs(CsCsH) - L6: O-Cs(CsCsCs)Cs(CsCsCs) - L5: O-Cs(NonDe)Cs(De) - L6: O-Cs(NonDe)Cs(OneDe) - L7: O-Cs(HHH)Cs(CdHH) - L7: O-Cs(HHH)Cs(CdCsH) - L7: O-Cs(HHH)Cs(CdCsCs) - L7: O-Cs(HHH)Cs(CtHH) - L7: O-Cs(HHH)Cs(CtCsH) - L7: O-Cs(HHH)Cs(CtCsCs) - L6: O-Cs(NonDe)Cs(TwoDe) - L6: O-Cs(NonDe)Cs(ThreeDe) - L5: O-Cs(De)Cs(NonDe) - L6: O-Cs(OneDe)Cs(NonDe) - L7: O-Cs(CdHH)Cs(HHH) - L7: O-Cs(CdCsH)Cs(HHH) - L7: O-Cs(CdCsCs)Cs(HHH) - L7: O-Cs(CtHH)Cs(HHH) - L7: O-Cs(CtCsH)Cs(HHH) - L7: O-Cs(CtCsCs)Cs(HHH) - L6: O-Cs(TwoDe)Cs(NonDe) - L6: O-Cs(ThreeDe)Cs(NonDe) - L4: O-CsCd - L5: O-Cs(HHH)Cds(H) - L5: O-Cs(CsHH)Cds(H) - L5: O-Cs(CsCsH)Cds(H) - L5: O-Cs(CsCsCs)Cds(H) - L5: O-Cs(HHH)Cds(Cs) - L5: O-Cs(CsHH)Cds(Cs) - L5: O-Cs(CsCsH)Cds(Cs) - L5: O-Cs(CsCsCs)Cds(Cs) - L4: O-CdCs - L5: O-Cds(H)Cs(HHH) - L5: O-Cds(H)Cs(CsHH) - L5: O-Cds(H)Cs(CsCsH) - L5: O-Cds(H)Cs(CsCsCs) - L5: O-Cds(Cs)Cs(HHH) - L5: O-Cds(Cs)Cs(CsHH) - L5: O-Cds(Cs)Cs(CsCsH) - L5: O-Cds(Cs)Cs(CsCsCs) - L4: O-CsCt - L5: O-Cs(HHH)Ct - L5: O-Cs(CsHH)Ct - L5: O-Cs(CsCsH)Ct - L5: O-Cs(CsCsCs)Ct - L4: O-CtCs - L5: O-CtCs(HHH) - L5: O-CtCs(CsHH) - L5: O-CtCs(CsCsH) - L5: O-CtCs(CsCsCs) - L4: O-CsCb - L5: O-Cs(HHH)Cb - L5: O-Cs(CsHH)Cb - L5: O-Cs(CsCsH)Cb - L5: O-Cs(CsCsCs)Cb - L4: O-CbCs - L5: O-CbCs(HHH) - L5: O-CbCs(CsHH) - L5: O-CbCs(CsCsH) - L5: O-CbCs(CsCsCs) - L4: O-CsCO - L4: O-COCs - L4: O-CsC=O - L4: O-C=OCs - L4: O-CdCd - L4: O-CdCt - L4: O-CtCd - L4: O-CdCb - L4: O-CbCd - L4: O-CdCO - L4: O-COCd - L4: O-CdC=O - L4: O-C=OCd - L4: O-CtCt - L4: O-CtCb - L4: O-CbCt - L4: O-CtCO - L4: O-COCt - L4: O-CtC=O - L4: O-C=OCt - L4: O-CbCb - L4: O-CbCO - L4: O-COCb - L4: O-CbC=O - L4: O-C=OCb - L4: O-COCO - L4: O-COC=O - L4: O-C=OCO - L4: O-C=OC=O - L3: O-CS - L4: O-COss - L5: O-Cs(HHH)Os(H) - L5: O-Cs(CsHH)Os(H) - L5: O-Cs(CsCsH)Os(H) - L5: O-Cs(CsCsCs)Os(H) - L5: O-Cs(HHH)Os(Cs) - L5: O-Cs(CsHH)Os(Cs) - L5: O-Cs(CsCsH)Os(Cs) - L5: O-Cs(CsCsCs)Os(Cs) - L5: O-Cs(HHH)Os(Os) - L5: O-Cs(CsHH)Os(Os) - L5: O-Cs(CsCsH)Os(Os) - L5: O-Cs(CsCsCs)Os(Os) - L4: O-CdOs - L5: O-Cds(H)Os(H) - L5: O-Cds(H)Os(Cs) - L5: O-Cds(H)Os(Os) - L5: O-Cds(Cs)Os(H) - L5: O-Cds(Cs)Os(Cs) - L5: O-Cds(Cs)Os(Os) - L4: O-CtOs - L4: O-CbOs - L4: O-COOs - L4: O-C=OOs - L3: O-SC - L4: O-OsCs - L5: O-Os(H)Cs(HHH) - L5: O-Os(H)Cs(CsHH) - L5: O-Os(H)Cs(CsCsH) - L5: O-Os(H)Cs(CsCsCs) - L5: O-Os(Cs)Cs(HHH) - L5: O-Os(Cs)Cs(CsHH) - L5: O-Os(Cs)Cs(CsCsH) - L5: O-Os(Cs)Cs(CsCsCs) - L5: O-Os(Os)Cs(HHH) - L5: O-Os(Os)Cs(CsHH) - L5: O-Os(Os)Cs(CsCsH) - L5: O-Os(Os)Cs(CsCsCs) - L4: O-OsCd - L5: O-Os(H)Cds(H) - L5: O-Os(Cs)Cds(H) - L5: O-Os(Os)Cds(H) - L5: O-Os(H)Cds(Cs) - L5: O-Os(Cs)Cds(Cs) - L5: O-Os(Os)Cds(Cs) - L4: O-OsCt - L4: O-OsCb - L4: O-OsCO - L4: O-OsC=O - L3: O-OsH - L4: O-Os(H)H - L4: O-Os(Cs)H - L4: O-Os(Os)H - L3: O-HOs - L4: O-HOs(H) - L4: O-HOs(Cs) - L4: O-HOs(Os) - L3: O-OsOs - L4: O-Os(H)Os(H) - L4: O-Os(Cs)Os(H) - L4: O-Os(H)Os(Cs) - L4: O-Os(Os)Os(H) - L4: O-Os(H)Os(Os) - L4: O-Os(Cs)Os(Cs) - L4: O-Os(Cs)Os(Os) - L4: O-Os(Os)Os(Cs) - L4: O-Os(Os)Os(Os) - L2: O-RRrad - -// Radical tree, see also H abOtraction reactions - -L1: YJ - L2: Y_2centeradjbirad - L3: O2b - L3: C2b - L2: Y_1centerbirad - L2: HJ - L2: CJ - L3: CsJ - L4: CsJ-HHH - L4: CsJ-CsHH - L4: CsJ-CsCsH - L4: CsJ-CsCsCs - L4: CsJ-OsHH - L4: CsJ-OsCsH - L4: CsJ-OsCsCs - L4: CsJ-OsOsH - L4: CsJ-OsOsCs - L4: CsJ-OsOsOs - L4: CsJ-OsHH - L4: CsJ-OsCsH - L4: CsJ-OsCsCs - L4: CsJ-OsOsH - L4: CsJ-OsOsCs - L4: CsJ-OsOsOs - L4: CsJ-OneDe - L5: CsJ-OneDeHH - L6: CsJ-CdHH - L6: CsJ-CtHH - L6: CsJ-CbHH - L6: CsJ-COHH - L6: CsJ-C=OHH - L5: CsJ-OneDeCsH - L6: CsJ-CdCsH - L6: CsJ-CtCsH - L6: CsJ-CbCsH - L6: CsJ-COCsH - L6: CsJ-C=OCsH - L5: CsJ-OneDeOsH - L5: CsJ-OneDeOsH - L5: CsJ-OneDeCsCs - L6: CsJ-CdCsCs - L6: CsJ-CtCsCs - L6: CsJ-CbCsCs - L6: CsJ-COCsCs - L6: CsJ-C=OCsCs - L5: CsJ-OneDeOsCs - L5: CsJ-OneDeOsCs - L5: CsJ-OneDeOsOs - L5: CsJ-OneDeOOss - L5: CsJ-OneDeOsOs - L4: CsJ-TwoDe - L5: CsJ-TwoDeH - L6: CsJ-CdCdH - L6: CsJ-CdCtH - L6: CsJ-CdCbH - L6: CsJ-CdCOH - L6: CsJ-CdC=OH - L6: CsJ-CtCtH - L6: CsJ-CtCbH - L6: CsJ-CtCOH - L6: CsJ-CtC=OH - L6: CsJ-CbCbH - L6: CsJ-CbCOH - L6: CsJ-CbC=OH - L6: CsJ-COCOH - L6: CsJ-COC=OH - L6: CsJ-C=OC=OH - L5: CsJ-TwoDeCs - L6: CsJ-CdCdCs - L6: CsJ-CdCtCs - L6: CsJ-CdCbCs - L6: CsJ-CdCOCs - L6: CsJ-CdC=OCs - L6: CsJ-CtCtCs - L6: CsJ-CtCbCs - L6: CsJ-CtCOCs - L6: CsJ-CtC=OCs - L6: CsJ-CbCbCs - L6: CsJ-CbCOCs - L6: CsJ-CbC=OCs - L6: CsJ-COCOCs - L6: CsJ-COC=OCs - L6: CsJ-C=OC=OCs - L5: CsJ-TwoDeOs - L5: CsJ-TwoDeOs - L4: CsJ-ThreeDe - L3: CdsJ - L4: CdsJ-H - L4: CdsJ-Cs - L4: CdsJ-Cd - L4: CdsJ-Ct - L4: CdsJ-Cb - L4: CdsJ-CO - L4: CdsJ-C=O - L4: CdsJ-Os - L4: CdsJ-Os - L3: CtJ - L3: CbJ - L3: C=OJ - L4: C=OJ-H - L4: C=OJ-Cs - L4: C=OJ-Cd - L4: C=OJ-Ct - L4: C=OJ-Cb - L4: C=OJ-CO - L4: C=OJ-C=O - L4: C=OJ-Os - L4: C=OJ-Os - -// -// Up to here -// - - L2: OJ - L3: OsJ - L4: OsJ-H - L4: OsJ-Cs - L4: OsJ-Os - L4: OsJ-OneDe - L5: OsJ-Cd - L5: OsJ-Ct - L5: OsJ-Cb - L5: OsJ-CO - L5: OsJ-C=O - - - - - - - - - - - - - - - - diff --git a/output/RMG_database/kinetics_groups/families.txt b/output/RMG_database/kinetics_groups/families.txt deleted file mode 100755 index a0dc3eb490..0000000000 --- a/output/RMG_database/kinetics_groups/families.txt +++ /dev/null @@ -1,53 +0,0 @@ -//////////////////////////////////////////////////////////////////////////////// -// -// REACTION FAMILIES USED BY RMG -// -// Created 1 Jun 2009 by Josh Allen (jwallen@mit.edu) -// -// Notes: -// -// The name of each forward reaction should match up with a folder -// in this directory containing the dictionary, tree, library, and adjusts -// for that family. -// -// Families can be deactivated by simply changing the "on/off" column to off. -// -//////////////////////////////////////////////////////////////////////////////// - -// No. on/off Forward reaction -1 on Cyclic_Ether_Formation -2 on intra_OH_migration -3 on H_Abstraction -4 on R_Addition_MultipleBond -5 on R_Recombination -6 on Disproportionation -7 on 1,2_Insertion -8 on 1,3_Insertion_CO2 -9 on 1,3_Insertion_ROR -10 on 1+2_Cycloaddition -11 on 2+2_cycloaddition_Cd -12 on 2+2_cycloaddition_CO -13 on 2+2_cycloaddition_CCO -14 on Diels_alder_addition -15 on intra_H_migration -16 on HO2_Elimination_from_PeroxyRadical -17 on Birad_recombination -18 on Oa_R_Recombination -19 on R_Addition_COm -20 on Intra_R_Add_Exocyclic -21 on Intra_R_Add_Endocyclic -22 on 1,2-Birad_to_alkene -23 on Intra_Disproportionation -24 on Substitution_O -25 on 1,2_shiftS -26 on intra_substitutionCS_cyclization -27 on intra_substitutionCS_isomerization -28 on intra_substitutionS_cyclization -29 on intra_substitutionS_isomerization -30 on SubstitutionS -31 on R_Addition_CSm -32 on 1,3_Insertion_RSR -33 on Intra_Diels_alder -34 on 1,4_Cyclic_birad_scission -35 on 1,4_Linear_birad_scission -36 on ketoenol diff --git a/output/RMG_database/kinetics_groups/intra_H_migration/comments.rst b/output/RMG_database/kinetics_groups/intra_H_migration/comments.rst deleted file mode 100644 index 051ce64fe7..0000000000 --- a/output/RMG_database/kinetics_groups/intra_H_migration/comments.rst +++ /dev/null @@ -1,1599 +0,0 @@ - ---- -615 ---- -[5] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 1998, 114, 149. -Currans's estimation in his reaction type 5. C7H15 - -Checked by Paul Green. - - ---- -616 ---- -[5] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 1998, 114, 149. -Currans's estimation in his reaction type 5. C7H15 - -Checked by Paul Green. - - ---- -617 ---- -[5] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 1998, 114, 149. -Currans's estimation in his reaction type 5. C7H15 - -Checked By Paul Green - - ---- -618 ---- -[5] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 1998, 114, 149. -Currans's estimation in his reaction type 5. C7H15 - -Checked By Paul Green. - - ---- -619 ---- -[5] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 1998, 114, 149. -Currans's estimation in his reaction type 5. C7H15 - -Checked By Paul Green. - - ---- -620 ---- -[5] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 1998, 114, 149. -Currans's estimation in his reaction type 5. C7H15 - -Checked By Paul Green. - - ---- -621 ---- -[5] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 1998, 114, 149. -Currans's estimation in his reaction type 5. - -NEEDS TO BE CHECKED - - ---- -622 ---- -[5] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 1998, 114, 149. -Currans's estimation in his reaction type 5. C7H15 - -Checked By Paul Green - - ---- -623 ---- -[5] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 1998, 114, 149. -Currans's estimation in his reaction type 5. C7H15 - -Checked by Paul Green - - ---- -624 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimstion in his reaction type 12 RO2 isomerization. - - ---- -625 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimstion in his reaction type 12 RO2 isomerization. - - ---- -626 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimstion in his reaction type 12 RO2 isomerization. - - ---- -627 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimstion in his reaction type 12 RO2 isomerization. - - ---- -628 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimstion in his reaction type 12 RO2 isomerization. - - ---- -629 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimstion in his reaction type 12 RO2 isomerization. - - ---- -630 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimstion in his reaction type 12 RO2 isomerization. - - ---- -631 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimstion in his reaction type 12 RO2 isomerization. - - ---- -632 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimstion in his reaction type 12 RO2 isomerization. - - ---- -633 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimstion in his reaction type 12 RO2 isomerization. - - ---- -634 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimstion in his reaction type 12 RO2 isomerization. - - ---- -635 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimstion in his reaction type 12 RO2 isomerization. - - ---- -636 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -637 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -638 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -639 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -640 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -641 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -642 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -643 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -644 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -645 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -646 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -647 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -648 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -649 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -650 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -651 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -652 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -653 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -654 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -655 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -656 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -657 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -658 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -659 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -660 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -661 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -662 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -663 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -664 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -665 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -666 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -667 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -668 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -669 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -670 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -671 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -672 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -673 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -674 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -675 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -676 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -677 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -678 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -679 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -680 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -681 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -682 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -683 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -684 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -685 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -686 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -687 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -688 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -689 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -690 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -691 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -692 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -693 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -694 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -695 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -696 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -697 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -698 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -699 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -700 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -701 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -702 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -703 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -704 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -705 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -706 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -707 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -708 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -709 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -710 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -711 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -712 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -713 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -714 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -715 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -716 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -717 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -718 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -719 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -720 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -721 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -722 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -723 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -724 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -725 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -726 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -727 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -728 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -729 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -730 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -731 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -732 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -733 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -734 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -735 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -736 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -737 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -738 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -739 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -740 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -741 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -742 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -743 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -744 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -745 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -746 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -747 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -748 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -749 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -750 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -751 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -752 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -753 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -754 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -755 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -756 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -757 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -758 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -759 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -760 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -761 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -762 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -763 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -764 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -765 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -766 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -767 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -768 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -769 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -770 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -771 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -772 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -773 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -774 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -775 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -776 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -777 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -778 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -779 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -780 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -781 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -782 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -783 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -784 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -785 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -786 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -787 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -788 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -789 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -790 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -791 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -792 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -793 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -794 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -795 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -796 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -797 ---- -Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - ---- -798 ---- -Sumathy CBS-Q calculations - ---- -799 ---- -Sumathy CBS-Q calculations - ---- -800 ---- -Sumathy CBS-Q calculations - ---- -801 ---- -Sumathy CBS-Q calculations - ---- -802 ---- -Sumathy CBS-Q calculations - ---- -803 ---- -Sumathy CBS-Q calculations - ---- -804 ---- -Sumathy CBS-Q calculations - ---- -805 ---- -Sumathy CBS-Q calculations - ---- -806 ---- -Sumathy CBS-Q calculations - ---- -807 ---- - - ---- -808 ---- - - ---- -809 ---- - - ---- -810 ---- - - ---- -811 ---- - - ---- -812 ---- - - ---- -813 ---- -CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. - ---- -814 ---- -CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. - ---- -815 ---- -CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. - ---- -816 ---- -CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. - ---- -817 ---- -CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. - ---- -818 ---- -CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. - ---- -819 ---- -CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. - ---- -820 ---- -CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. - ---- -821 ---- -CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. - ---- -822 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimation in reaction type 19, QOOH = cyclic ether + OH - - ---- -823 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimation in reaction type 19, QOOH = cyclic ether + OH - - ---- -824 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimation in reaction type 19, QOOH = cyclic ether + OH - - ---- -825 ---- -[8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. -Curran's estimation in reaction type 19, QOOH = cyclic ether + OH - - ---- -826 ---- - - ---- -827 ---- -CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -828 ---- -CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -829 ---- -CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -830 ---- -CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -831 ---- -CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -832 ---- -CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -833 ---- -CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -834 ---- -CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -835 ---- -Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -836 ---- -Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -837 ---- -Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -838 ---- -Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -839 ---- -Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -840 ---- -Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -841 ---- -Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -842 ---- -Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -843 ---- -Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -844 ---- -Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -845 ---- - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - - ---- -846 ---- - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - - ---- -847 ---- - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - - ---- -848 ---- - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - - ---- -849 ---- - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - - ---- -8441 ---- - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -8451 ---- - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -8461 ---- - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -8471 ---- - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -8481 ---- - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - ---- -8491 ---- - -The rate was added by Sandeep Sharma on Feb 01 2006 (713a0f98f91) with message "I have added the rate rules given to me by Sumathy which are present in Pitz.xls file in the Acads directory of my laptop." -The node was commented out of the tree, disabling the rate, by Sandeep Sharma on Feb 13 2006 (2e7b38d367c9) with the message "Removed nodes Cs_H_out_H/(CCCOOH) and the others from under node Cs_H_out_H/NonDeC as it is not a subnode anyway." - -On 6 April 2010, Josh Allen, Mike Harper and Richard West spent quite a while trying to put these nodes in the right place in the tree and to make the definitions valid and consistent. -Unfortunately it was not clear what they were intended to mean because many of the definitions overlap. We gave up, and they remain commented out. - - ---- -850 ---- -Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - ---- -851 ---- -Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - ---- -852 ---- -Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - ---- -853 ---- -Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - ---- -854 ---- -Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - ---- -855 ---- -Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - ---- -856 ---- -Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - ---- -857 ---- -Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - ---- -858 ---- -Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - ---- -859 ---- -Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - ---- -860 ---- -Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - ---- -861 ---- -Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - ---- -862 ---- -Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - ---- -863 ---- -Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - ---- -864 ---- -Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - ---- -865 ---- -Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - ---- -866 ---- -Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - ---- -867 ---- -Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - ---- -868 ---- -Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - ---- -869 ---- -Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - ---- -870 ---- -Sandeep's CBS-QB3 calculations. - ---- -871 ---- -Sandeep's CBS-QB3 calculations. - ---- -872 ---- -Sandeep's CBS-QB3 calculations. - ---- -873 ---- -Sandeep's CBS-QB3 calculations. - ---- -874 ---- -Sandeep's CBS-QB3 calculations. - ---- -875 ---- -Sandeep's CBS-QB3 calculations. - ---- -876 ---- -MHS CBS-QB3 calculations for CH3-CH2-CH=CH-O* == CH3-C*H-CH=CH-OH. -Product is the cis configuration because TS is also cis. -Note--this only affects the tunneling correction (b/c in products). -Only methyl rotor was considered for TS. - ---- -877 ---- -MRH CBS-QB3 calculations with 1-d hindered rotor corrections for CH2=CH-CH2-OO => CH=CH-CH2-OOH - -Previous RMG estimate for this reaction was an "Average of average" estimate. This reaction was of -interest to MRH/MHS because the butanol model was sensitive to allyl+O2 => C2H2+CH2O+OH. The high-p -limit kinetics were necessary to estimate a k(T,P) for this PES. - -Reactant: 2 hindered rotors were considered (the OO and CH2OO torsions) -TS: 0 hindered rotors were considered (MRH did not think 1-d separable rotor approximation was valid - for cyclic TS) -Product: 3 hindered rotors were considered (the HO, HOO, and HOOCH2 torsions) - -All external symmetry numbers were set equal to one. The k(T) was calculated from 600 - 2000 K, -in 200 K intervals, and the fitted Arrhenius expression from CanTherm was: -k(T) = 2.468e+06 * (T/1K)^1.554 * exp(-26.636 kcal/mol / RT) cm3/mol/s. -The number appearing in the database has been divided by two to account for the reaction path degeneracy. \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/intra_H_migration/dictionary.txt b/output/RMG_database/kinetics_groups/intra_H_migration/dictionary.txt deleted file mode 100755 index 2c1492802b..0000000000 --- a/output/RMG_database/kinetics_groups/intra_H_migration/dictionary.txt +++ /dev/null @@ -1,2025 +0,0 @@ -//out-molecular hydrogen migration (S.R.1/22/03) -//Y(.)RH---->HY---R(.) -//f25_intramolecular_HA -//get rid of Cbf in some nodes -//C.D.W. 04/17/03: added C_rad_out_Cs2_cy3, Cs_H_out_Cs2_cy3, etc. -//for cases where the radical center or XH has "outside" ring attached to it, -//for e.g. cy3(.)CH3 --> cy3H-CH2(.) -//C.D.W. 04/20/03 : added R3H_SS_12cy3, etc. for cases where there is "inside" ring, -//for e.g. cyc(CH2CH(.)CH)-CH3 --> cyc(CH3CH2CH)-CH2(.) -//1) Definition of "inside" ring : when at least two of the *1,*2,*4,..atoms -//are members of that ring. -//2) Added also R3H_SS_2Cd (for .C-Cd-CH case) -//3) Use "Others" : Others-[father] to catch the noncyclic cases (discussion with J.S. 04/17/03) -//4) The policy now is to add only nodes for which rate rules are available. -//Thus here I expanded R2H_S, R3H_SS, etc. but not for e.g. R2H_D, R3H_SD, etc. - -RnH -Union {R2Hall, R3Hall, R4Hall, R5Hall, R6Hall, R7Hall} - -R2Hall -Union {R2H} - -R2H -1 *1 {R!H} 1 {2,{S,D,B}} -2 *2 {R!H} 0 {1,{S,D,B}}, {3,S} -3 *3 H 0 {2,S} - -R2H_S -1 *1 {R!H} 1 {2,S} -2 *2 {R!H} 0 {1,S}, {3,S} -3 *3 H 0 {2,S} - -R2H_S_cy3 -1 *1 {R!H} 1 {2,S}, {4,{S,D,B}} -2 *2 {R!H} 0 {1,S}, {3,S}, {4,{S,D,B}} -3 *3 H 0 {2,S} -4 {R!H} 0 {1,{S,D,B}}, {2,{S,D,B}} - -R2H_S_cy4 -1 *1 {R!H} 1 {2,S}, {5,{S,D,B}} -2 *2 {R!H} 0 {1,S}, {3,S}, {4,{S,D,B}} -3 *3 H 0 {2,S} -4 {R!H} 0 {2,{S,D,B}}, {5,{S,D,B}} -5 {R!H} 0 {1,{S,D,B}}, {4,{S,D,B}} - -R2H_S_cy5 -1 *1 {R!H} 1 {2,S}, {6,{S,D,B}} -2 *2 {R!H} 0 {1,S}, {3,S}, {4,{S,D,B}} -3 *3 H 0 {2,S} -4 {R!H} 0 {2,{S,D,B}}, {5,{S,D,B}} -5 {R!H} 0 {4,{S,D,B}}, {6,{S,D,B}} -6 {R!H} 0 {5,{S,D,B}}, {1,{S,D,B}} - -//Others-R2H_S -//AND{R2H_S, NOT OR{R2H_S,R2H_S_cy3,R2H_S_cy4,R2H_S_cy5}} - -R2H_D -1 *1 Cd 1 {2,D} -2 *2 Cd 0 {1,D}, {3,S} -3 *3 H 0 {2,S} - -R2H_B -1 *1 Cb 1 {2,B} -2 *2 Cb 0 {1,B}, {3,S} -3 *3 H 0 {2,S} - -R3Hall -1 *1 {R!H} 1 {2,{S,D,T,B}} {2,{S,D,T,B}} -2 *4 {R!H} X {1,{S,D,T,B}} {3,{S,D,T,B}} -3 *2 {R!H} 0 {2,{S,D,T,B}} {4,S} -4 *3 H 0 {3,S} - -R3HJ -1 *1 {R!H} 1 {2,{S,D,T,B}} {2,{S,D,T,B}} -2 *4 {R!H} 1 {1,{S,D,T,B}} {3,{S,D,T,B}} -3 *2 {R!H} 0 {2,{S,D,T,B}} {4,S} -4 *3 H 0 {3,S} - -R3H -1 *1 {R!H} 1 {2,{S,D,T,B}} {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}} {3,{S,D,T,B}} -3 *2 {R!H} 0 {2,{S,D,T,B}} {4,S} -4 *3 H 0 {3,S} - -R3H_SR -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,{S,D,T,B}} -3 *2 {R!H} 0 {2,{S,D,T,B}}, {4,S} -4 *3 H 0 {3,S} - -R3H_SS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *3 H 0 {3,S} - -R3H_SS_12cy3 -1 *1 {R!H} 1 {2,S}, {5,{S,D,B}} -2 *4 {R!H} 0 {1,S}, {3,S}, {5,{S,D,B}} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *3 H 0 {3,S} -5 {R!H} 0 {1,{S,D,B}}, {2,{S,D,B}} - -R3H_SS_23cy3 -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S}, {5,{S,D,B}} -3 *2 {R!H} 0 {2,S}, {4,S}, {5,{S,D,B}} -4 *3 H 0 {3,S} -5 {R!H} 0 {2,{S,D,B}}, {3,{S,D,B}} - -R3H_SS_12cy4 -1 *1 {R!H} 1 {2,S}, {6,{S,D,B}} -2 *4 {R!H} 0 {1,S}, {3,S}, {5,{S,D,B}} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *3 H 0 {3,S} -5 {R!H} 0 {2,{S,D,B}}, {6,{S,D,B}} -6 {R!H} 0 {1,{S,D,B}}, {5,{S,D,B}} - -R3H_SS_23cy4 -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S}, {6,{S,D,B}} -3 *2 {R!H} 0 {2,S}, {4,S}, {5,{S,D,B}} -4 *3 H 0 {3,S} -5 {R!H} 0 {3,{S,D,B}}, {6,{S,D,B}} -6 {R!H} 0 {2,{S,D,B}}, {5,{S,D,B}} - -R3H_SS_13cy4 -1 *1 {R!H} 1 {2,S}, {5,{S,D,B}} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 {R!H} 0 {2,S}, {4,S}, {5,{S,D,B}} -4 *3 H 0 {3,S} -5 {R!H} 0 {1,{S,D,B}}, {3,{S,D,B}} - -R3H_SS_12cy5 -1 *1 {R!H} 1 {2,S}, {7,{S,D,B}} -2 *4 {R!H} 0 {1,S}, {3,S}, {5,{S,D,B}} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *3 H 0 {3,S} -5 {R!H} 0 {2,{S,D,B}}, {6,{S,D,B}} -6 {R!H} 0 {5,{S,D,B}}, {7,{S,D,B}} -7 {R!H} 0 {1,{S,D,B}}, {6,{S,D,B}} - -R3H_SS_23cy5 -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S}, {7,{S,D,B}} -3 *2 {R!H} 0 {2,S}, {4,S}, {5,{S,D,B}} -4 *3 H 0 {3,S} -5 {R!H} 0 {3,{S,D,B}}, {6,{S,D,B}} -6 {R!H} 0 {5,{S,D,B}}, {7,{S,D,B}} -7 {R!H} 0 {2,{S,D,B}}, {6,{S,D,B}} - -R3H_SS_13cy5 -1 *1 {R!H} 1 {2,S}, {6,{S,D,B}} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 {R!H} 0 {2,S}, {4,S}, {5,{S,D,B}} -4 *3 H 0 {3,S} -5 {R!H} 0 {3,{S,D,B}}, {6,{S,D,B}} -6 {R!H} 0 {1,{S,D,B}}, {5,{S,D,B}} - -R3H_SS_2Cd -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,S} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *3 H 0 {3,S} - -R3H_SS_S -1 *1 R 1 {2,S} -2 *4 Ss 0 {1,S}, {3,S} -3 *2 R 0 {2,S}, {4,S} -4 *3 H 0 {3,S} - -R3H_SD -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 *2 Cd 0 {2,D}, {4,S} -4 *3 H 0 {3,S} - -R3H_ST -1 *1 {R!H} 1 {2,S} -2 *4 Ct 0 {1,S}, {3,T} -3 *2 Ct 0 {2,T}, {4,S} -4 *3 H 0 {3,S} - -R3H_SB -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *2 Cb 0 {2,B}, {4,S} -4 *3 H 0 {3,S} - -R3H_MS -1 *1 {R!H} 1 {2,{D,T,B}} -2 *4 {R!H} 0 {1,{D,T,B}}, {3,S} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *3 H 0 {3,S} - -R3H_DS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *3 H 0 {3,S} - -R3H_TS -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *3 H 0 {3,S} - -R3H_BS -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *3 H 0 {3,S} - -R3H_BB -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *2 Cb 0 {2,B}, {4,S} -4 *3 H 0 {3,S} - -R3H_SS_OOCs -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 *2 Cs 0 {2,S}, {4,S} -4 *3 H 0 {3,S} - -R4Hall -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} X {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *5 {R!H} X {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *2 {R!H} 0 {3,{S,D,T,B}}, {5,S} -5 *3 H 0 {4,S} - -R4HJ_1 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 1 {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *5 {R!H} 0 {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *2 {R!H} 0 {3,{S,D,T,B}}, {5,S} -5 *3 H 0 {4,S} - -R4HJ_2 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *5 {R!H} 1 {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *2 {R!H} 0 {3,{S,D,T,B}}, {5,S} -5 *3 H 0 {4,S} - -R4H -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *5 {R!H} 0 {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *2 {R!H} 0 {3,{S,D,T,B}}, {5,S} -5 *3 H 0 {4,S} - -R4H_RSR -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,{S,D,T,B}} -4 *2 {R!H} 0 {3,{S,D,T,B}}, {5,S} -5 *3 H 0 {4,S} - -R4H_RSS -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_SSS_CsSCsCs -1 *1 Cs 1 {2,S} -2 *4 Ss 0 {1,S}, {3,S} -3 *5 Cs 0 {2,S}, {4,S} -4 *2 Cs 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_SSS_CsCsSCs -1 *1 Cs 1 {2,S} -2 *4 Cs 0 {1,S}, {3,S} -3 *5 Ss 0 {2,S}, {4,S} -4 *2 Cs 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_SSS_OOCsCs -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 *5 Cs 0 {2,S}, {4,S} -4 *2 Cs 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_SSS_OOCsCd -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 *5 Cs 0 {2,S}, {4,S} -4 *2 Cd 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_SSS_OO(Cs/Cs)Cs -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 *5 Cs 0 {2,S}, {4,S}, {6,S} -4 *2 Cs 0 {3,S}, {5,S} -5 *3 H 0 {4,S} -6 Cs 0 {3,S} - -R4H_SSS_OO(Cs/Cs/Cs)Cs -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 *5 Cs 0 {2,S}, {4,S}, {6,S}, {7,S} -4 *2 Cs 0 {3,S}, {5,S} -5 *3 H 0 {4,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -R4H_SSS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_DSS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_TSS -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_BSS -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_RSD -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *2 Cd 0 {3,D}, {5,S} -5 *3 H 0 {4,S} - -R4H_SSD -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *2 Cd 0 {3,D}, {5,S} -5 *3 H 0 {4,S} - -R4H_DSD -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *2 Cd 0 {3,D}, {5,S} -5 *3 H 0 {4,S} - -R4H_TSD -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *2 Cd 0 {3,D}, {5,S} -5 *3 H 0 {4,S} - -R4H_BSD -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *2 Cd 0 {3,D}, {5,S} -5 *3 H 0 {4,S} - -R4H_RST -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 *5 Ct 0 {2,S}, {4,T} -4 *2 Ct 0 {3,T}, {5,S} -5 *3 H 0 {4,S} - -R4H_SST -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 Ct 0 {2,S}, {4,T} -4 *2 Ct 0 {3,T}, {5,S} -5 *3 H 0 {4,S} - -R4H_DST -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Ct 0 {2,S}, {4,T} -4 *2 Ct 0 {3,T}, {5,S} -5 *3 H 0 {4,S} - -R4H_TST -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *5 Ct 0 {2,S}, {4,T} -4 *2 Ct 0 {3,T}, {5,S} -5 *3 H 0 {4,S} - -R4H_BST -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *5 Ct 0 {2,S}, {4,T} -4 *2 Ct 0 {3,T}, {5,S} -5 *3 H 0 {4,S} - -R4H_RSB -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 *5 Cb 0 {2,S}, {4,B} -4 *2 Cb 0 {3,B}, {5,S} -5 *3 H 0 {4,S} - -R4H_SSB -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 Cb 0 {2,S}, {4,B} -4 *2 Cb 0 {3,B}, {5,S} -5 *3 H 0 {4,S} - -R4H_DSB -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cb 0 {2,S}, {4,B} -4 *2 Cb 0 {3,B}, {5,S} -5 *3 H 0 {4,S} - -R4H_TSB -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *5 Cb 0 {2,S}, {4,B} -4 *2 Cb 0 {3,B}, {5,S} -5 *3 H 0 {4,S} - -R4H_BSB -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *5 Cb 0 {2,S}, {4,B} -4 *2 Cb 0 {3,B}, {5,S} -5 *3 H 0 {4,S} - -R4H_SMS -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S}, {3,{D,T,B}} -3 *5 {Cd,Ct,Cb} 0 {2,{D,T,B}}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_SDS -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 *5 Cd 0 {2,D}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_STS -1 *1 {R!H} 1 {2,S} -2 *4 Ct 0 {1,S}, {3,T} -3 *5 Ct 0 {2,T}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_SBS -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *5 Cb 0 {2,B}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_SBB -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *5 Cbf 0 {2,B}, {4,B} -4 *2 Cb 0 {3,B}, {5,S} -5 *3 H 0 {4,S} - -R4H_BBS -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *5 Cb 0 {2,B}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_BBB -1 *1 Cb 1 {2,B}, {15,B} -2 *4 Cbf 0 {1,B}, {3,B}, {12,B} -3 *5 Cbf 0 {2,B}, {4,B}, {9,B} -4 *2 Cb 0 {3,B}, {5,S}, {6,B} -5 *3 H 0 {4,S} -6 {Cb,Cbf} 0 {4,B}, {7,B} -7 {Cb,Cbf} 0 {6,B}, {8,B} -8 {Cb,Cbf} 0 {7,B}, {9,B} -9 Cbf 0 {3,B}, {8,B}, {10,B} -10 {Cb,Cbf} 0 {9,B}, {11,B} -11 {Cb,Cbf} 0 {10,B}, {12,B} -12 Cbf 0 {2,B}, {11,B}, {13,B} -13 {Cb,Cbf} 0 {12,B}, {14,B} -14 {Cb,Cbf} 0 {13,B}, {15,B} -15 {Cb,Cbf} 0 {14,B}, {1,B} - -R5Hall -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} X {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} X {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *5 {R!H} X {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *2 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *3 H 0 {5,S} - -R5HJ_1 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 1 {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} 0 {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *2 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *3 H 0 {5,S} - -R5HJ_2 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} 1 {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *2 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *3 H 0 {5,S} - -R5HJ_3 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} 0 {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *5 {R!H} 1 {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *2 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *3 H 0 {5,S} - -R5H -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} 0 {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *2 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *3 H 0 {5,S} - -R5H_RSSR -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,{S,D,T,B}} -5 *2 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *3 H 0 {5,S} - -R5H_SSSR -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,{S,D,T,B}} -5 *2 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *3 H 0 {5,S} - -R5H_SSSS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_SSSS_CsCsCsSCs -1 *1 Cs 1 {2,S} -2 *4 Cs 0 {1,S}, {3,S} -3 *6 Cs 0 {2,S}, {4,S} -4 *5 Ss 0 {3,S}, {5,S} -5 *2 Cs 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_SSSS_OOCCC -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 *6 Cs 0 {2,S}, {4,S} -4 *5 Cs 0 {3,S}, {5,S} -5 *2 Cs 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_SSSS_OO(Cs/Cs)Cs -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 *6 Cs 0 {2,S}, {4,S}, {7,S} -4 *5 Cs 0 {3,S}, {5,S} -5 *2 Cs 0 {4,S}, {6,S} -6 *3 H 0 {5,S} -7 Cs 0 {3,S} - -R5H_SSSS_OO(Cs/Cs/Cs)Cs -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 *6 Cs 0 {2,S}, {4,S}, {7,S}, {8,S} -4 *5 Cs 0 {3,S}, {5,S} -5 *2 Cs 0 {4,S}, {6,S} -6 *3 H 0 {5,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -R5H_SSSS_OOCs(Cs/Cs) -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 *6 Cs 0 {2,S}, {4,S} -4 *5 Cs 0 {3,S}, {5,S}, {7,S} -5 *2 Cs 0 {4,S}, {6,S} -6 *3 H 0 {5,S} -7 Cs 0 {4,S} - -R5H_SSSS_OOCs(Cs/Cs/Cs) -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 *6 Cs 0 {2,S}, {4,S} -4 *5 Cs 0 {3,S}, {5,S}, {7,S}, {8,S} -5 *2 Cs 0 {4,S}, {6,S} -6 *3 H 0 {5,S} -7 Cs 0 {4,S} -8 Cs 0 {4,S} - -R5H_SSSD -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 Cd 0 {3,S}, {5,D} -5 *2 Cd 0 {4,D}, {6,S} -6 *3 H 0 {5,S} - -R5H_SSST -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 Ct 0 {3,S}, {5,T} -5 *2 Ct 0 {4,T}, {6,S} -6 *3 H 0 {5,S} - -R5H_SSSB -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 Cb 0 {3,S}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_DSSR -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,{S,D,T,B}} -5 *2 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *3 H 0 {5,S} - -R5H_DSSS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_DSSD -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 Cd 0 {3,S}, {5,D} -5 *2 Cd 0 {4,D}, {6,S} -6 *3 H 0 {5,S} - -R5H_DSST -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 Ct 0 {3,S}, {5,T} -5 *2 Ct 0 {4,T}, {6,S} -6 *3 H 0 {5,S} - -R5H_DSSB -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 Cb 0 {3,S}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_TSSR -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,{S,D,T,B}} -5 *2 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *3 H 0 {5,S} - -R5H_TSSS -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_TSSD -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 Cd 0 {3,S}, {5,D} -5 *2 Cd 0 {4,D}, {6,S} -6 *3 H 0 {5,S} - -R5H_TSST -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 Ct 0 {3,S}, {5,T} -5 *2 Ct 0 {4,T}, {6,S} -6 *3 H 0 {5,S} - -R5H_TSSB -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 Cb 0 {3,S}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_BSSR -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,{S,D,T,B}} -5 *2 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *3 H 0 {5,S} - -R5H_BSSS -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_BSSD -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 Cd 0 {3,S}, {5,D} -5 *2 Cd 0 {4,D}, {6,S} -6 *3 H 0 {5,S} - -R5H_BSST -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 Ct 0 {3,S}, {5,T} -5 *2 Ct 0 {4,T}, {6,S} -6 *3 H 0 {5,S} - -R5H_BSSB -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *5 Cb 0 {3,S}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_RSMS -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,{D,T,B}} -4 *5 {R!H} 0 {3,{D,T,B}}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_SSMS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,{D,T,B}} -4 *5 {R!H} 0 {3,{D,T,B}}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_DSMS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,{D,T,B}} -4 *5 {R!H} 0 {3,{D,T,B}}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_TSMS -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,{D,T,B}} -4 *5 {R!H} 0 {3,{D,T,B}}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_BSMS -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,{D,T,B}} -4 *5 {R!H} 0 {3,{D,T,B}}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_SMSR -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,{D,T,B}} -3 *6 {R!H} 0 {2,{D,T,B}}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,{S,D,T,B}} -5 *2 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *3 H 0 {5,S} - -R5H_SMSS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,{D,T,B}} -3 *6 {R!H} 0 {2,{D,T,B}}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_SMSD -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,{D,T,B}} -3 *6 {R!H} 0 {2,{D,T,B}}, {4,S} -4 *5 Cd 0 {3,S}, {5,D} -5 *2 Cd 0 {4,D}, {6,S} -6 *3 H 0 {5,S} - -R5H_SMST -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,{D,T,B}} -3 *6 {R!H} 0 {2,{D,T,B}}, {4,S} -4 *5 Ct 0 {3,S}, {5,T} -5 *2 Ct 0 {4,T}, {6,S} -6 *3 H 0 {5,S} - -R5H_SMSB -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,{D,T,B}} -3 *6 {R!H} 0 {2,{D,T,B}}, {4,S} -4 *5 Cb 0 {3,S}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_BBSR -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *6 Cb 0 {2,B}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,{S,D,T,B}} -5 *2 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *3 H 0 {5,S} - -R5H_BBSS -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *6 Cb 0 {2,B}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_BBSD -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *6 Cb 0 {2,B}, {4,S} -4 *5 Cd 0 {3,S}, {5,D} -5 *2 Cd 0 {4,D}, {6,S} -6 *3 H 0 {5,S} - -R5H_BBST -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *6 Cb 0 {2,B}, {4,S} -4 *5 Ct 0 {3,S}, {5,T} -5 *2 Ct 0 {4,T}, {6,S} -6 *3 H 0 {5,S} - -R5H_BBSB -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *6 Cb 0 {2,B}, {4,S} -4 *5 Cb 0 {3,S}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_RSBB -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 *6 Cb 0 {2,S}, {4,B} -4 *5 Cbf 0 {3,B}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_SSBB -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 Cb 0 {2,S}, {4,B} -4 *5 Cbf 0 {3,B}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_DSBB -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *6 Cb 0 {2,S}, {4,B} -4 *5 Cbf 0 {3,B}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_TSBB -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *6 Cb 0 {2,S}, {4,B} -4 *5 Cbf 0 {3,B}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_BSBB -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *6 Cb 0 {2,S}, {4,B} -4 *5 Cbf 0 {3,B}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_SBBS -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *6 Cbf 0 {2,B}, {4,B} -4 *5 Cb 0 {3,B}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_SBBB -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B}, {16,B} -3 *6 Cbf 0 {2,B}, {4,B}, {13,B} -4 *5 Cbf 0 {3,B}, {5,B}, {10,B} -5 *2 Cb 0 {4,B}, {6,S}, {7,B} -6 *3 H 0 {5,S} -7 {Cb,Cbf} 0 {5,B}, {8,B} -8 {Cb,Cbf} 0 {7,B}, {9,B} -9 {Cb,Cbf} 0 {8,B}, {10,B} -10 Cbf 0 {4,B}, {9,B}, {11,B} -11 {Cb,Cbf} 0 {10,B}, {12,B} -12 {Cb,Cbf} 0 {11,B}, {13,B} -13 Cbf 0 {3,B}, {12,B}, {14,B} -14 {Cb,Cbf} 0 {13,B}, {15,B} -15 {Cb,Cbf} 0 {14,B}, {16,B} -16 {Cb,Cbf} 0 {15,B}, {2,B} - -R5H_BBBS -1 *1 Cb 1 {2,B}, {16,B} -2 *4 Cbf 0 {1,B}, {3,B}, {13,B} -3 *6 Cbf 0 {2,B}, {4,B}, {10,B} -4 *5 Cb 0 {3,B}, {5,S}, {7,B} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} -7 {Cb,Cbf} 0 {4,B}, {8,B} -8 {Cb,Cbf} 0 {7,B}, {9,B} -9 {Cb,Cbf} 0 {8,B}, {10,B} -10 Cbf 0 {3,B}, {9,B}, {11,B} -11 {Cb,Cbf} 0 {10,B}, {12,B} -12 {Cb,Cbf} 0 {11,B}, {13,B} -13 Cbf 0 {2,B}, {12,B}, {14,B} -14 {Cb,Cbf} 0 {13,B}, {15,B} -15 {Cb,Cbf} 0 {14,B}, {16,B} -16 {Cb,Cbf} 0 {15,B}, {1,B} - -R5H_BBBB -1 *1 Cb 1 {2,B}, {19,B} -2 *4 Cbf 0 {1,B}, {3,B}, {16,B} -3 *6 Cbf 0 {2,B}, {4,B}, {13,B} -4 *5 Cbf 0 {3,B}, {5,B}, {10,B} -5 *2 Cb 0 {4,B}, {6,S}, {7,B} -6 *3 H 0 {5,S} -7 {Cb,Cbf} 0 {5,B}, {8,B} -8 {Cb,Cbf} 0 {7,B}, {9,B} -9 {Cb,Cbf} 0 {8,B}, {10,B} -10 Cbf 0 {4,B}, {9,B}, {11,B} -11 {Cb,Cbf} 0 {10,B}, {12,B} -12 {Cb,Cbf} 0 {11,B}, {13,B} -13 Cbf 0 {3,B}, {12,B}, {14,B} -14 {Cb,Cbf} 0 {13,B}, {15,B} -15 {Cb,Cbf} 0 {14,B}, {16,B} -16 Cbf 0 {2,B}, {15,B}, {17,B} -17 {Cb,Cbf} 0 {16,B}, {18,B} -18 {Cb,Cbf} 0 {17,B}, {19,B} -19 {Cb,Cbf} 0 {18,B}, {1,B} - -//Added by AJ for intra_H migrations in long chain alkoxy radicals -R5H_CCCC_O -1 *1 O 1 {2,S} -2 *4 C 0 {1,S}, {3,S} -3 *6 C 0 {2,S}, {4,S} -4 *5 C 0 {3,S}, {5,S} -5 *2 C 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R6Hall -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} X {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} X {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *7 {R!H} X {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *5 {R!H} X {4,{S,D,T,B}}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6HJ_1 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 1 {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} 0 {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *7 {R!H} 0 {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *5 {R!H} 0 {4,{S,D,T,B}}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6HJ_2 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} 1 {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *7 {R!H} 0 {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *5 {R!H} 0 {4,{S,D,T,B}}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6HJ_3 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} 0 {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *7 {R!H} 1 {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *5 {R!H} 0 {4,{S,D,T,B}}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6HJ_4 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} 0 {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *7 {R!H} 0 {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *5 {R!H} 1 {4,{S,D,T,B}}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} 0 {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *7 {R!H} 0 {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *5 {R!H} 0 {4,{S,D,T,B}}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_RSSSR -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_SSSSR -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_SSSSS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_SSSSS_bicyclopentane -1 *1 {R!H} 1 {8,S}, {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S}, {9,S} -4 *7 {R!H} 0 {3,S}, {5,S}, {11,S} -5 *5 {R!H} 0 {4,S}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S}, {10,S} -7 *3 H 0 {6,S} -8 C 0 {1,S}, {9,S} -9 C 0 {8,S}, {3,S} -10 C 0 {6,S}, {11,D} -11 C 0 {10,D}, {4,S} - -R6H_SSSSS_OO -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 *6 Cs 0 {2,S}, {4,S} -4 *7 Cs 0 {3,S}, {5,S} -5 *5 Cs 0 {4,S}, {6,S} -6 *2 Cs 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_SSSSD -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,D} -6 *2 {R!H} 0 {5,D}, {7,S} -7 *3 H 0 {6,S} - -R6H_SSSST -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,T} -6 *2 {R!H} 0 {5,T}, {7,S} -7 *3 H 0 {6,S} - -R6H_SSSSB -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,B} -6 *2 {R!H} 0 {5,B}, {7,S} -7 *3 H 0 {6,S} - -R6H_DSSSR -1 *1 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_DSSSS -1 *1 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_DSSSD -1 *1 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,D} -6 *2 {R!H} 0 {5,D}, {7,S} -7 *3 H 0 {6,S} - -R6H_DSSST -1 *1 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,T} -6 *2 {R!H} 0 {5,T}, {7,S} -7 *3 H 0 {6,S} - -R6H_DSSSB -1 *1 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,B} -6 *2 {R!H} 0 {5,B}, {7,S} -7 *3 H 0 {6,S} - -R6H_TSSSR -1 *1 {R!H} 1 {2,T} -2 *4 {R!H} 0 {1,T}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_TSSSS -1 *1 {R!H} 1 {2,T} -2 *4 {R!H} 0 {1,T}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_TSSSD -1 *1 {R!H} 1 {2,T} -2 *4 {R!H} 0 {1,T}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,D} -6 *2 {R!H} 0 {5,D}, {7,S} -7 *3 H 0 {6,S} - -R6H_TSSST -1 *1 {R!H} 1 {2,T} -2 *4 {R!H} 0 {1,T}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,T} -6 *2 {R!H} 0 {5,T}, {7,S} -7 *3 H 0 {6,S} - -R6H_TSSSB -1 *1 {R!H} 1 {2,T} -2 *4 {R!H} 0 {1,T}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,B} -6 *2 {R!H} 0 {5,B}, {7,S} -7 *3 H 0 {6,S} - -R6H_BSSSR -1 *1 {R!H} 1 {2,B} -2 *4 {R!H} 0 {1,B}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_BSSSS -1 *1 {R!H} 1 {2,B} -2 *4 {R!H} 0 {1,B}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_BSSSD -1 *1 {R!H} 1 {2,B} -2 *4 {R!H} 0 {1,B}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,D} -6 *2 {R!H} 0 {5,D}, {7,S} -7 *3 H 0 {6,S} - -R6H_BSSST -1 *1 {R!H} 1 {2,B} -2 *4 {R!H} 0 {1,B}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,T} -6 *2 {R!H} 0 {5,T}, {7,S} -7 *3 H 0 {6,S} - -R6H_BSSSB -1 *1 {R!H} 1 {2,B} -2 *4 {R!H} 0 {1,B}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,B} -6 *2 {R!H} 0 {5,B}, {7,S} -7 *3 H 0 {6,S} - -R6H_RSSMS -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,{D,T,B}} -5 *5 {R!H} 0 {4,{D,T,B}}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_RSMSR -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,{D,T,B}} -4 *7 {R!H} 0 {3,{D,T,B}}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_SMSSR -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,{D,T,B}} -3 *6 {R!H} 0 {2,{D,T,B}}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_SMSMS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,{D,T,B}} -3 *6 {R!H} 0 {2,{D,T,B}}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,{D,T,B}} -5 *5 {R!H} 0 {4,{D,T,B}}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_BBSRS -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *6 Cb 0 {2,B}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,{S,D,T,B}} -5 *5 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_BBSSM -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *6 Cb 0 {2,B}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,{D,T,B}} -6 *2 {R!H} 0 {5,{D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_BBSBB -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *6 Cb 0 {2,B}, {4,S} -4 *7 Cb 0 {3,S}, {5,B} -5 *5 Cbf 0 {4,B}, {6,B} -6 *2 Cb 0 {5,B}, {7,S} -7 *3 H 0 {6,S} - -R6H_SBBSR -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *6 Cbf 0 {2,B}, {4,B} -4 *7 Cb 0 {3,B}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_RSBBS -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 *6 Cb 0 {2,S}, {4,B} -4 *7 Cbf 0 {3,B}, {5,B} -5 *5 Cb 0 {4,B}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_BBBSR -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *6 Cbf 0 {2,B}, {4,B} -4 *7 Cb 0 {3,B}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_SBBBS -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *6 Cbf 0 {2,B}, {4,B} -4 *7 Cbf 0 {3,B}, {5,B} -5 *5 Cb 0 {4,B}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_RSBBB -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 *6 Cb 0 {2,S}, {4,B} -4 *7 Cbf 0 {3,B}, {5,B} -5 *5 Cbf 0 {4,B}, {6,B} -6 *2 Cb 0 {5,B}, {7,S} -7 *3 H 0 {6,S} - -R6H_SBBBB -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *6 Cbf 0 {2,B}, {4,B} -4 *7 Cbf 0 {3,B}, {5,B} -5 *5 Cbf 0 {4,B}, {6,B} -6 *2 Cb 0 {5,B}, {7,S} -7 *3 H 0 {6,S} - -R6H_BBBBS -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *6 Cbf 0 {2,B}, {4,B} -4 *7 Cbf 0 {3,B}, {5,B} -5 *5 Cb 0 {4,B}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_BBBBB -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *6 Cbf 0 {2,B}, {4,B} -4 *7 Cbf 0 {3,B}, {5,B} -5 *5 Cbf 0 {4,B}, {6,B} -6 *2 Cb 0 {5,B}, {7,S} -7 *3 H 0 {6,S} - -R6H_SSSSS_OO(Cs/Cs)Cs -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 *6 Cs 0 {2,S}, {4,S} {8,S} -4 *7 Cs 0 {3,S}, {5,S} -5 *5 Cs 0 {4,S}, {6,S} -6 *2 Cs 0 {5,S}, {7,S} -7 *3 H 0 {6,S} -8 Cs 0 {3,S} - -R6H_SSSSS_OOCCC(Cs/Cs) -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 *6 Cs 0 {2,S}, {4,S} -4 *7 Cs 0 {3,S}, {5,S} -5 *5 Cs 0 {4,S}, {6,S} -6 *2 Cs 0 {5,S}, {7,S} {8,S} -7 *3 H 0 {6,S} -8 Cs 0 {6,S} - -R6H_SSSSS_OO(Cs/Cs)C(Cs/Cs) -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 *6 Cs 0 {2,S}, {4,S} {8,S} -4 *7 Cs 0 {3,S}, {5,S} -5 *5 Cs 0 {4,S}, {6,S} -6 *2 Cs 0 {5,S}, {7,S} {9,S} -7 *3 H 0 {6,S} -8 Cs 0 {3,S} -9 Cs 0 {6,S} - -R7Hall -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} X {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} X {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *7 {R!H} X {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *8 {R!H} X {4,{S,D,T,B}}, {6,{S,D,T,B}} -6 *5 {R!H} X {5,{S,D,T,B}}, {7,{S,D,T,B}} -7 *2 {R!H} 0 {6,{S,D,T,B}}, {8,S} -8 *3 H 0 {7,S} - -R7HJ_1 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 1 {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} 0 {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *7 {R!H} 0 {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *8 {R!H} 0 {4,{S,D,T,B}}, {6,{S,D,T,B}} -6 *5 {R!H} 0 {5,{S,D,T,B}}, {7,{S,D,T,B}} -7 *2 {R!H} 0 {6,{S,D,T,B}}, {8,S} -8 *3 H 0 {7,S} - -R7HJ_2 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} 1 {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *7 {R!H} 0 {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *8 {R!H} 0 {4,{S,D,T,B}}, {6,{S,D,T,B}} -6 *5 {R!H} 0 {5,{S,D,T,B}}, {7,{S,D,T,B}} -7 *2 {R!H} 0 {6,{S,D,T,B}}, {8,S} -8 *3 H 0 {7,S} - -R7HJ_3 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} 0 {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *7 {R!H} 1 {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *8 {R!H} 0 {4,{S,D,T,B}}, {6,{S,D,T,B}} -6 *5 {R!H} 0 {5,{S,D,T,B}}, {7,{S,D,T,B}} -7 *2 {R!H} 0 {6,{S,D,T,B}}, {8,S} -8 *3 H 0 {7,S} - -R7HJ_4 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} 0 {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *7 {R!H} 0 {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *8 {R!H} 1 {4,{S,D,T,B}}, {6,{S,D,T,B}} -6 *5 {R!H} 0 {5,{S,D,T,B}}, {7,{S,D,T,B}} -7 *2 {R!H} 0 {6,{S,D,T,B}}, {8,S} -8 *3 H 0 {7,S} - -R7HJ_5 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} 0 {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *7 {R!H} 0 {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *8 {R!H} 0 {4,{S,D,T,B}}, {6,{S,D,T,B}} -6 *5 {R!H} 1 {5,{S,D,T,B}}, {7,{S,D,T,B}} -7 *2 {R!H} 0 {6,{S,D,T,B}}, {8,S} -8 *3 H 0 {7,S} - -R7H -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 *6 {R!H} 0 {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 *7 {R!H} 0 {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *8 {R!H} 0 {4,{S,D,T,B}}, {6,{S,D,T,B}} -6 *5 {R!H} 0 {5,{S,D,T,B}}, {7,{S,D,T,B}} -7 *2 {R!H} 0 {6,{S,D,T,B}}, {8,S} -8 *3 H 0 {7,S} - -R7H_OOCs4 -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,{S,D,T,B}} -4 *7 {R!H} 0 {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *8 {R!H} 0 {4,{S,D,T,B}}, {6,{S,D,T,B}} -6 *5 {R!H} 0 {5,{S,D,T,B}}, {7,{S,D,T,B}} -7 *2 {R!H} 0 {6,{S,D,T,B}}, {8,S} -8 *3 H 0 {7,S} - -R7H_OOCCCC(Cs/Cs) -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,{S,D,T,B}} -4 *7 {R!H} 0 {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 *8 {R!H} 0 {4,{S,D,T,B}}, {6,{S,D,T,B}} -6 *5 {R!H} 0 {5,{S,D,T,B}}, {7,{S,D,T,B}} -7 *2 {R!H} 0 {6,{S,D,T,B}}, {8,S}, {9,S} -8 *3 H 0 {7,S} -9 Cs 0 {7,S} - -Y_rad_out -1 *1 {R!H} 1 - -C_rad_out_single -1 *1 C 1 {2,S}, {3,S} -2 R 0 {1,S} -3 R 0 {1,S} - -C_rad_out_2H -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -C_rad_out_1H -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 {R!H} 0 {1,S} - -C_rad_out_H/NonDeC -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 Cs 0 {1,S} - -C_rad_out_H/NonDeO -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 O 0 {1,S} - -C_rad_out_H/NonDeS -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 S 0 {1,S} - -C_rad_out_H/OneDe -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -C_rad_out_noH -1 *1 C 1 {2,S}, {3,S} -2 {R!H} 0 {1,S} -3 {R!H} 0 {1,S} - -C_rad_out_NonDe -1 *1 C 1 {2,S}, {3,S} -2 {Cs,O,S} 0 {1,S} -3 {Cs,O,S} 0 {1,S} - -C_rad_out_Cs2 -1 *1 C 1 {2,S}, {3,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} - -C_rad_out_Cs2_cy3 -1 *1 C 1 {2,S}, {3,S} -2 Cs 0 {1,S}, {3,S} -3 Cs 0 {1,S}, {2,S} - -C_rad_out_Cs2_cy4 -1 *1 C 1 {2,S}, {3,S} -2 Cs 0 {1,S}, {4,S} -3 Cs 0 {1,S}, {4,S} -4 {Cs,Cd} 0 {2,S}, {3,S} - -C_rad_out_Cs2_cy5 -1 *1 C 1 {2,S}, {3,S} -2 Cs 0 {1,S}, {4,S} -3 Cs 0 {1,S}, {5,S} -4 {Cs,Cd,Cb,Ct} 0 {2,S}, {5,{S,D,T,B}} -5 {Cs,Cd,Cb,Ct} 0 {3,S}, {4,{S,D,T,B}} - -//Others-C_rad_out_Cs2 -//AND{C_rad_out_Cs2, NOT OR{C_rad_out_Cs2_cy3, C_rad_out_Cs2_cy4, C_rad_out_Cs2_cy5 }} - -C_rad_out_NDMustO -1 *1 C 1 {2,S}, {3,S} -2 O 0 {1,S} -3 {Cs,O,S} 0 {1,S} - -C_rad_out_OneDe -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cs,O,S} 0 {1,S} - -C_rad_out_OneDe/Cs -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} - -C_rad_out_OneDe/O -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 O 0 {1,S} - -C_rad_out_OneDe/S -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 S 0 {1,S} - -C_rad_out_TwoDe -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_rad_out_double -1 *1 Cd 1 {2,D} -2 Cd 0 {1,D} - -Cd_rad_out_single -1 *1 Cd 1 {2,S} -2 R 0 {1,S} - -Cd_rad_out_singleH -1 *1 Cd 1 {2,S} -2 H 0 {1,S} - -Cd_rad_out_singleNd -1 *1 Cd 1 {2,S} -2 {Cs,O,S} 0 {1,S} - -Cd_rad_out_singleDe -1 *1 Cd 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -Ct_rad_out -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} - -O_rad_out -1 *1 O 1 - -Cb_rad_out -1 *1 Cb 1 {2,B} -2 *4 {Cb,Cbf} 0 {1,B} - -CO_rad_out -1 *1 C 1 {2,D} -2 O 0 {1,D} - -C=S_rad_out -1 *1 Cd 1 {2,D} -2 Sd 0 {1,D} - -S_rad_out -1 *1 S 1 - -XH_out -1 *2 {R!H} 0 {2,S} -2 *3 H 0 {1,S} - -Cs_H_out -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -Cs_H_out_2H -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs_H_out_1H -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 {R!H} 0 {1,S} -4 H 0 {1,S} - -Cs_H_out_H/NonDeC -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cs_H_out_H/(NonDeC/O) -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S} {5,S} -4 H 0 {1,S} -5 O 0 {3,S} {6,S} -6 H 0 {5,S} - -Cs_H_out_H/(NonDeC/Cs) -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S} {5,S} -4 H 0 {1,S} -5 Cs 0 {3,S} - -Cs_H_out_H/(NonDeC/Cs/Cs) -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S} {5,S} {6,S} -4 H 0 {1,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -Cs_H_out_H/(NonDeC/Cs/Cs/Cs) -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {1,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -Cs_H_out_H/(CCCOOH) -1 *2 Cs 0 {2,S} {3,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S}, {4,S} -4 Cs 0 {3,S}, {5,S} -5 Os 0 {4,S}, {6,S} -6 Os 0 {5,S} - -Cs_H_out_H/((C/C)CCOOH) -1 *2 Cs 0 {2,S}, {3,S}, {7,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S}, {4,S} -4 Cs 0 {3,S}, {5,S} -5 Os 0 {4,S}, {6,S} -6 Os 0 {5,S} -7 Cs 0 {1,S} - -Cs_H_out_H/(CCOOH) -1 *2 Cs 0 {2,S} {3,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S}, {4,S} -4 Os 0 {3,S}, {5,S} -5 Os 0 {4,S} - -Cs_H_out_H/((C/C)COOH) -1 *2 Cs 0 {2,S}, {3,S}, {6,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S}, {4,S} -4 Os 0 {3,S}, {5,S} -5 Os 0 {4,S} -6 Cs 0 {1,S} - -Cs_H_out_H/(COOH) -1 *2 Cs 0 {2,S} {3,S} -2 *3 H 0 {1,S} -3 Os 0 {1,S}, {4,S} -4 Os 0 {3,S} - -Cs_H_out_H/((C/C)OOH) -1 *2 Cs 0 {2,S}, {3,S}, {5,S} -2 *3 H 0 {1,S} -3 Os 0 {1,S}, {4,S} -4 Os 0 {3,S} -5 Cs 0 {1,S} - -Cs_H_out_H/NonDeO -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 O 0 {1,S} -4 H 0 {1,S} - -Cs_H_out_H/NonDeS -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 S 0 {1,S} -4 H 0 {1,S} - -// I defined them this way as sometimes a special ring structure can occur with additional strain when -// one of the identified groups is a neighbor of the Pi system -Cs_H_out_H/OneDe -Union {Cs_H_out_H/Cd, Cs_H_out_H/Ct, Cs_H_out_H/CO, Cs_H_out_H/CS} - -Cs_H_out_H/Cd -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 C 0 {1,S} {5,D} {6,S} -4 H 0 {1,S} -5 C 0 {3,D} {7,S} {8,S} -6 R 0 {3,S} -7 R 0 {5,S} -8 R 0 {5,S} - -Cs_H_out_H/CO -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 C 0 {1,S} {5,D} {6,S} -4 H 0 {1,S} -5 O 0 {3,D} -6 R 0 {3,S} - -Cs_H_out_H/Ct -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 C 0 {1,S} {5,T} -4 H 0 {1,S} -5 C 0 {3,T} {6,S} -6 R 0 {5,S} - -Cs_H_out_H/CS -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 C 0 {1,S} {5,D} {6,S} -4 H 0 {1,S} -5 S 0 {3,D} -6 R 0 {3,S} - -Cs_H_out_noH -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -Cs_H_out_NonDe -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -Cs_H_out_Cs2 -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cs_H_out_Cs2_cy3 -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S}, {4,S} -4 Cs 0 {1,S}, {3,S} - -Cs_H_out_Cs2_cy4 -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S}, {5,S} -4 Cs 0 {1,S}, {5,S} -5 Cs 0 {3,S}, {4,S} - -Cs_H_out_Cs2_cy5 -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S}, {5,S} -4 Cs 0 {1,S}, {6,S} -5 Cs 0 {3,S}, {6,S} -6 Cs 0 {4,S}, {5,S} - -//Others-Cs_H_out_Cs2 -//AND{ Cs_H_out_Cs2, NOT OR{Cs_H_out_Cs2_cy3, Cs_H_out_Cs2_cy4, Cs_H_out_Cs2_cy5}} - -Cs_H_out_NDMustO -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} - -Cs_H_out_OneDe -Union {Cs_H_out_Cd, Cs_H_out_Ct, Cs_H_out_CO, Cs_H_out_CS} - -Cs_H_out_Cd -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 C 0 {1,S} {5,D} {6,S} -4 {Cs,O} 0 {1,S} -5 C 0 {3,D} {7,S} {8,S} -6 R 0 {3,S} -7 R 0 {5,S} -8 R 0 {5,S} - -Cs_H_out_CO -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 C 0 {1,S} {5,D} {6,S} -4 {Cs,O} 0 {1,S} -5 O 0 {3,D} -6 R 0 {3,S} - -Cs_H_out_Ct -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 C 0 {1,S} {5,T} -4 {Cs,O} 0 {1,S} -5 C 0 {3,T} {6,S} -6 R 0 {5,S} - -Cs_H_out_CS -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 C 0 {1,S} {5,D} {6,S} -4 {Cs,O} 0 {1,S} -5 S 0 {3,D} -6 R 0 {3,S} - -Cs_H_out_TwoDe -Union {Cs_H_out_CdCd, Cs_H_out_CdCt, Cs_H_out_CtCt} - -Cs_H_out_CdCd -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 C 0 {1,S} {5,D} {9,S} -4 C 0 {1,S} {7,D} {10,S} -5 C 0 {3,D} {6,S} {11,S} -6 R 0 {5,S} -7 C 0 {4,D} {8,S} {12,S} -8 C 0 {7,S} -9 R 0 {3,S} -10 R 0 {4,S} -11 R 0 {5,S} -12 R 0 {7,S} - -Cs_H_out_CdCt -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 C 0 {1,S} {5,D} {9,S} -4 C 0 {1,S} {7,T} -5 C 0 {3,D} {6,S} {10,S} -6 R 0 {5,S} -7 C 0 {4,T} {8,S} -8 C 0 {7,S} -9 R 0 {3,S} -10 R 0 {5,S} - -Cs_H_out_CtCt -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 C 0 {1,S} {5,T} -4 C 0 {1,S} {7,T} -5 C 0 {3,T} {6,S} -6 R 0 {5,S} -7 C 0 {4,T} {8,S} -8 R 0 {7,S} - -// Added by AJ for intra_H shifts in HOOQOO radicals -Cs_H_out_OOH -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 R 0 {1,S} -4 O 0 {1,S} {5,S} -5 O 0 {4,S} - -Cs_H_out_OOH/H -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} {5,S} -5 O 0 {4,S} - -Cs_H_out_OOH/Cs -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S} -4 O 0 {1,S} {5,S} -5 O 0 {4,S} - -Cd_H_out_double -1 *2 Cd 0 {2,S} {3,D} -2 *3 H 0 {1,S} -3 {Cd,O} 0 {1,D} - -Cd_H_out_doubleC -1 *2 Cd 0 {2,S} {3,D} -2 *3 H 0 {1,S} -3 Cd 0 {1,D} - -Cd_H_out_doubleO -1 *2 Cd 0 {2,S} {3,D} -2 *3 H 0 {1,S} -3 O 0 {1,D} - -Cd_H_out_single -1 *2 Cd 0 {2,S} {3,S} -2 *3 H 0 {1,S} -3 R 0 {1,S} - -Cd_H_out_singleH -1 *2 Cd 0 {2,S} {3,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} - -Cd_H_out_singleNd -1 *2 Cd 0 {2,S} {3,S} -2 *3 H 0 {1,S} -3 {Cs,O} 0 {1,S} - -Cd_H_out_singleDe -1 *2 Cd 0 {2,S} {3,S} -2 *3 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -CO_H_out -1 *2 CO 0 {2,S} -2 *3 H 0 {1,S} - -O_H_out -1 *2 O 0 {2,S} -2 *3 H 0 {1,S} - -Ct_H_out -1 *2 Ct 0 {2,S} -2 *3 H 0 {1,S} - -Cb_H_out -1 *2 Cb 0 {2,S} -2 *3 H 0 {1,S} - -S_H_out -1 *2 S 0 {2,S} -2 *3 H 0 {1,S} - diff --git a/output/RMG_database/kinetics_groups/intra_H_migration/forbiddenGroups.txt b/output/RMG_database/kinetics_groups/intra_H_migration/forbiddenGroups.txt deleted file mode 100644 index f2b127b6a5..0000000000 --- a/output/RMG_database/kinetics_groups/intra_H_migration/forbiddenGroups.txt +++ /dev/null @@ -1,604 +0,0 @@ -linked55_2112 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 *4 C 0 {2,S} {4,S} {6,S} -4 *1 C 1 {3,S} {5,S} -5 C 0 {1,S} {4,S} -6 *5 C 0 {3,S} {7,S} {10,S} -7 *2 C 0 {6,S} {8,S} {11,S} -8 C 0 {7,S} {9,S} -9 C 0 {8,S} {10,S} -10 C 0 {6,S} {9,S} -11 *3 H 0 {7,S} - -linked55_2123 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 *4 C 0 {2,S} {4,S} {6,S} -4 *1 C 1 {3,S} {5,S} -5 C 0 {1,S} {4,S} -6 C 0 {3,S} {7,S} {10,S} -7 *5 C 0 {6,S} {8,S} -8 *2 C 0 {7,S} {9,S} {11,S} -9 C 0 {8,S} {10,S} -10 C 0 {6,S} {9,S} -11 *3 H 0 {8,S} - -linked55_2133 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 *4 C 0 {2,S} {4,S} {6,S} -4 *1 C 1 {3,S} {5,S} -5 C 0 {1,S} {4,S} -6 C 0 {3,S} {7,S} {10,S} -7 C 0 {6,S} {8,S} -8 *2 C 0 {7,S} {9,S} {11,S} -9 *5 C 0 {8,S} {10,S} -10 C 0 {6,S} {9,S} -11 *3 H 0 {8,S} - -linked55_2333 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {6,S} -4 *1 C 1 {3,S} {5,S} -5 *4 C 0 {1,S} {4,S} -6 C 0 {3,S} {7,S} {10,S} -7 C 0 {6,S} {8,S} -8 *2 C 0 {7,S} {9,S} {11,S} -9 *5 C 0 {8,S} {10,S} -10 C 0 {6,S} {9,S} -11 *3 H 0 {8,S} - -linked55_3223 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {6,S} -4 *4 C 0 {3,S} {5,S} -5 *1 C 1 {1,S} {4,S} -6 C 0 {3,S} {7,S} {10,S} -7 *5 C 0 {6,S} {8,S} -8 *2 C 0 {7,S} {9,S} {11,S} -9 C 0 {8,S} {10,S} -10 C 0 {6,S} {9,S} -11 *3 H 0 {8,S} - -linked55_3323 -1 *4 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {6,S} -4 C 0 {3,S} {5,S} -5 *1 C 1 {1,S} {4,S} -6 C 0 {3,S} {7,S} {10,S} -7 *5 C 0 {6,S} {8,S} -8 *2 C 0 {7,S} {9,S} {11,S} -9 C 0 {8,S} {10,S} -10 C 0 {6,S} {9,S} -11 *3 H 0 {8,S} - -fused55_212 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} {8,S} -3 *4 C 0 {2,S} {4,S} {6,S} -4 *1 C 1 {3,S} {5,S} -5 C 0 {1,S} {4,S} -6 *2 C 0 {3,S} {7,S} {9,S} -7 C 0 {6,S} {8,S} -8 C 0 {2,S} {7,S} -9 *3 H 0 {6,S} - -fused55_2312 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} {8,S} -3 *5 C 0 {2,S} {4,S} {6,S} -4 *1 C 1 {3,S} {5,S} -5 *4 C 0 {1,S} {4,S} -6 *2 C 0 {3,S} {7,S} {9,S} -7 C 0 {6,S} {8,S} -8 C 0 {2,S} {7,S} -9 *3 H 0 {6,S} - -fused55_2332 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} {8,S} -3 C 0 {2,S} {4,S} {6,S} -4 *1 C 1 {3,S} {5,S} -5 C 0 {1,S} {4,S} -6 *2 C 0 {3,S} {7,S} {9,S} -7 *5 C 0 {6,S} {8,S} -8 C 0 {2,S} {7,S} -9 *3 H 0 {6,S} - -fused55_2132 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} {8,S} -3 *4 C 0 {2,S} {4,S} {6,S} -4 *1 C 1 {3,S} {5,S} -5 C 0 {1,S} {4,S} -6 *2 C 0 {3,S} {7,S} {9,S} -7 *5 C 0 {6,S} {8,S} -8 C 0 {2,S} {7,S} -9 *3 H 0 {6,S} - -fused55_2123 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} {8,S} -3 *4 C 0 {2,S} {4,S} {6,S} -4 *1 C 1 {3,S} {5,S} -5 C 0 {1,S} {4,S} -6 *5 C 0 {3,S} {7,S} -7 *2 C 0 {6,S} {8,S} {9,S} -8 C 0 {2,S} {7,S} -9 *3 H 0 {7,S} - -fused55_2343 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} {8,S} -3 C 0 {2,S} {4,S} {6,S} -4 *1 C 1 {3,S} {5,S} -5 *4 C 0 {1,S} {4,S} -6 C 0 {3,S} {7,S} -7 *2 C 0 {6,S} {8,S} {9,S} -8 *5 C 0 {2,S} {7,S} -9 *3 H 0 {7,S} - -fused55_2312 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} {8,S} -3 *5 C 0 {2,S} {4,S} {6,S} -4 *1 C 1 {3,S} {5,S} -5 *4 C 0 {1,S} {4,S} -6 C 0 {3,S} {7,S} -7 *2 C 0 {6,S} {8,S} {9,S} -8 C 0 {2,S} {7,S} -9 *3 H 0 {7,S} - -fused55_2143 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} {8,S} -3 *4 C 0 {2,S} {4,S} {6,S} -4 *1 C 1 {3,S} {5,S} -5 C 0 {1,S} {4,S} -6 C 0 {3,S} {7,S} -7 *2 C 0 {6,S} {8,S} {9,S} -8 *5 C 0 {2,S} {7,S} -9 *3 H 0 {7,S} - -fused55_2134 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} {8,S} -3 *4 C 0 {2,S} {4,S} {6,S} -4 *1 C 1 {3,S} {5,S} -5 C 0 {1,S} {4,S} -6 C 0 {3,S} {7,S} -7 *5 C 0 {6,S} {8,S} -8 *2 C 0 {2,S} {7,S} {9,S} -9 *3 H 0 {8,S} - 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-fused56D_1 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} {9,S} -3 *6 C 0 {2,S} {4,S} {6,D} -4 *4 C 0 {3,S} {5,S} -5 *1 C 1 {1,S} {4,S} -6 *5 C 0 {3,D} {7,S} -7 *2 C 0 {6,S} {8,S} {10,S} -8 C 0 {7,S} {9,S} -9 C 0 {2,S} {8,S} -10 *3 H 0 {7,S} - -fused56D_2 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} {9,S} -3 *6 C 0 {2,S} {4,S} {6,D} -4 *5 C 0 {3,S} {5,S} -5 *2 C 0 {1,S} {4,S} {10,S} -6 *4 C 0 {3,D} {7,S} -7 *1 C 1 {6,S} {8,S} -8 C 0 {7,S} {9,S} -9 C 0 {2,S} {8,S} -10 *3 H 0 {5,S} - - -bridged56_7521 -1 *2 C 0 {2,S} {6,S} {8,S} -2 *5 C 0 {1,S} {3,S} {7,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 *4 C 0 {4,S} {6,S} {7,S} -6 C 0 {1,S} {5,S} -7 *1 C 1 {2,S} {5,S} -8 *3 H 0 {1,S} - -bridged56_1254 -1 *1 C 1 {2,S} {6,S} -2 *4 C 0 {1,S} {3,S} {7,S} -3 C 0 {2,S} {4,S} -4 *2 C 0 {3,S} {5,S} {8,S} -5 *5 C 0 {4,S} {6,S} {7,S} -6 C 0 {1,S} {5,S} -7 C 0 {2,S} {5,S} -8 *3 H 0 {4,S} - -bridged56_1634 -1 *1 C 1 {2,S} {6,S} -2 C 0 {1,S} {3,S} {7,S} -3 *5 C 0 {2,S} {4,S} -4 *2 C 0 {3,S} {5,S} {8,S} -5 C 0 {4,S} {6,S} {7,S} -6 *4 C 0 {1,S} {5,S} -7 C 0 {2,S} {5,S} -8 *3 H 0 {4,S} - -bridged56_1243 -1 *1 C 1 {2,S} {6,S} -2 *4 C 0 {1,S} {3,S} {7,S} -3 *2 C 0 {2,S} {4,S} {8,S} -4 *5 C 0 {3,S} {5,S} -5 C 0 {4,S} {6,S} {7,S} -6 C 0 {1,S} {5,S} -7 C 0 {2,S} {5,S} -8 *3 H 0 {3,S} - -bridged56_1623 -1 *1 C 1 {2,S} {6,S} -2 *5 C 0 {1,S} {3,S} {7,S} -3 *2 C 0 {2,S} {4,S} {8,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {6,S} {7,S} -6 *4 C 0 {1,S} {5,S} -7 C 0 {2,S} {5,S} -8 *3 H 0 {3,S} - -bridged56_1257 -1 *1 C 1 {2,S} {6,S} -2 *4 C 0 {1,S} {3,S} {7,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 *5 C 0 {4,S} {6,S} {7,S} -6 C 0 {1,S} {5,S} -7 *2 C 0 {2,S} {5,S} {8,S} -8 *3 H 0 {7,S} - -bridged56_1627 -1 *1 C 1 {2,S} {6,S} -2 *5 C 0 {1,S} {3,S} {7,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {6,S} {7,S} -6 *4 C 0 {1,S} {5,S} -7 *2 C 0 {2,S} {5,S} {8,S} -8 *3 H 0 {7,S} - -[CH2]C1=CC(C)CC=C1_1 -1 *5 C 0 {2,S} {3,S} {8,S} -2 *2 C 0 {1,S} {9,S} -3 C 0 {1,S} {4,S} -4 C 0 {3,S} {5,D} -5 C 0 {4,D} {6,S} -6 *4 C 0 {5,S} {7,S} {8,D} -7 *1 C 1 {6,S} -8 *6 C 0 {1,S} {6,D} -9 *3 H 0 {2,S} - -[CH2]C1=CC(C)CC=C1_2 -1 *5 C 0 {2,S} {3,S} {8,S} -2 C 0 {1,S} -3 *2 C 0 {1,S} {4,S} {9,S} -4 C 0 {3,S} {5,D} -5 C 0 {4,D} {6,S} -6 *4 C 0 {5,S} {7,S} {8,D} -7 *1 C 1 {6,S} -8 *6 C 0 {1,S} {6,D} -9 *3 H 0 {3,S} - -[CH2]C1=CC(C)CC=C1_3 -1 C 0 {2,S} {3,S} {8,S} -2 C 0 {1,S} -3 *2 C 0 {1,S} {4,S} {9,S} -4 *5 C 0 {3,S} {5,D} -5 *6 C 0 {4,D} {6,S} -6 *4 C 0 {5,S} {7,S} {8,D} -7 *1 C 1 {6,S} -8 C 0 {1,S} {6,D} -9 *3 H 0 {3,S} - - - - - - - diff --git a/output/RMG_database/kinetics_groups/intra_H_migration/rateLibrary.txt b/output/RMG_database/kinetics_groups/intra_H_migration/rateLibrary.txt deleted file mode 100755 index 0d6cbd57ab..0000000000 --- a/output/RMG_database/kinetics_groups/intra_H_migration/rateLibrary.txt +++ /dev/null @@ -1,414 +0,0 @@ -// rate library for f33: intra hydroxyl migration -// Originally from rate library.doc by CDW - -// "jing," define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// #690 has a conflict of the name and the catogery in sumathy's original excel "file," should ask her about it. Cath and "Jing," 3/7/2028 -// make change of "#673," "#675," #676 according to sumathy's "correction," "JS," 3/8/2026 - -// Catherine Wijaya Thesis, pg 133, 159. - -//f25_intra_H_migration -//No RnH Y_rad_out XH_out Temp A n Alpha E DA DN DAlpha DE Rank Comments -614 RnH Y_rad_out XH_out 300-1500 1.00E+10 0 0 25.00 0 0 0 0 0 default -615 R2H_S C_rad_out_single Cs_H_out_2H 300-1500 5.48E+08 1.62 0 38.76 0 0 0 0 5 Currans's estimation [5] in his reaction type 5. -616 R2H_S C_rad_out_single Cs_H_out_1H 300-1500 9.59E+08 1.39 0 39.70 0 0 0 0 5 Currans's estimation [5] in his reaction type 5. -617 R3H_SS C_rad_out_single Cs_H_out_2H 300-1500 1.39E+09 0.98 0 33.76 0 0 0 0 5 Currans's estimation [5] in his reaction type 5. -618 R3H_SS C_rad_out_single Cs_H_out_1H 300-1500 1.76E+09 0.76 0 34.70 0 0 0 0 5 Currans's estimation [5] in his reaction type 5. -619 R4H_SSS C_rad_out_single Cs_H_out_2H 300-1500 2.54E+09 0.35 0 19.76 0 0 0 0 5 Currans's estimation [5] in his reaction type 5. -620 R4H_SSS C_rad_out_single Cs_H_out_1H 300-1500 3.22E+09 0.13 0 20.70 0 0 0 0 5 Currans's estimation [5] in his reaction type 5. -621 R4H_SSS C_rad_out_single Cs_H_out_noH 300-1500 1.86E+10 0.58 0 26.19 0 0 0 0 5 Currans's estimation [5] in his reaction type 5. -622 R5H_SSSS C_rad_out_single Cs_H_out_2H 300-1500 4.28E+11 -1.05 0 11.76 0 0 0 0 5 Currans's estimation [5] in his reaction type 5. -623 R5H_SSSS C_rad_out_single Cs_H_out_1H 300-1500 1.36E+10 -0.66 0 14.28 0 0 0 0 5 Currans's estimation [5] in his reaction type 5. -624 R4H_SSS O_rad_out Cs_H_out_2H 300-1500 1.00E+11 0 0 29.40 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -625 R4H_SSS O_rad_out Cs_H_out_1H 300-1500 1.00E+11 0 0 26.85 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -626 R4H_SSS O_rad_out Cs_H_out_noH 300-1500 1.00E+11 0 0 24.10 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -627 R5H_SSSS O_rad_out Cs_H_out_2H 300-1500 1.25E+10 0 0 24.40 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -628 R5H_SSSS O_rad_out Cs_H_out_1H 300-1500 1.25E+10 0 0 20.85 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -629 R5H_SSSS O_rad_out Cs_H_out_noH 300-1500 1.25E+10 0 0 19.10 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -630 R6H_SSSSS O_rad_out Cs_H_out_2H 300-1500 1.56E+09 0 0 22.35 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -631 R6H_SSSSS O_rad_out Cs_H_out_1H 300-1500 1.56E+09 0 0 19.05 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -632 R6H_SSSSS O_rad_out Cs_H_out_noH 300-1500 1.56E+09 0 0 17.05 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -633 R7H O_rad_out Cs_H_out_2H 300-1500 1.95E+08 0 0 25.55 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -634 R7H O_rad_out Cs_H_out_1H 300-1500 1.95E+08 0 0 25.55 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -635 R7H O_rad_out Cs_H_out_noH 300-1500 1.95E+08 0 0 25.55 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. - -// Beginning of list of reactions calculated by Sumathy - -636 R2H_S C_rad_out_2H Cs_H_out_2H 300-1500 4.45E+09 1.12 0 38.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -637 R2H_S C_rad_out_H/NonDeC Cs_H_out_2H 300-1500 8.10E+08 1.32 0 40.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -638 R2H_S C_rad_out_2H Cs_H_out_H/NonDeC 300-1500 9.69E+09 0.89 0 35.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -639 R2H_S C_rad_out_Cs2 Cs_H_out_2H 300-1500 8.12E+07 1.66 0 40.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -640 R2H_S C_rad_out_2H Cs_H_out_Cs2 300-1500 4.04E+10 0.64 0 33.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -641 R2H_S C_rad_out_Cs2 Cs_H_out_Cs2 300-1500 1.28E+10 0.97 0 38.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -642 R2H_S C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 3.38E+09 0.88 0 38.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -643 R2H_S C_rad_out_H/NonDeC Cs_H_out_Cs2 300-1500 7.25E+10 0.6 0 36.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -644 R2H_S C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 1.12E+09 1.19 0 39.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -645 R2H_S Cd_rad_out_double Cs_H_out_2H 300-1500 2.44E+09 1.12 0 41.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -646 R2H_S C_rad_out_2H Cd_H_out_doubleC 300-1500 2.68E+11 0.63 0 62.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -647 R2H_S Cd_rad_out_double Cs_H_out_H/OneDe 300-1500 7.24E+09 0.82 0 37.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -648 R2H_S C_rad_out_H/OneDe Cd_H_out_doubleC 300-1500 9.38E+10 0.71 0 62.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -649 R2H_S Cd_rad_out_double Cs_H_out_OneDe 300-1500 1.67E+10 0.79 0 35.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -650 R2H_S C_rad_out_OneDe/Cs Cd_H_out_doubleC 300-1500 1.03E+09 1.31 0 62.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -651 R2H_S C_rad_out_H/OneDe Cs_H_out_2H 300-1500 2.06E+09 1.22 0 47.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -652 R2H_S C_rad_out_2H Cs_H_out_H/OneDe 300-1500 1.41E+08 1.28 0 27.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -653 R2H_S C_rad_out_H/OneDe Cs_H_out_H/NonDeC 300-1500 3.45E+10 0.75 0 45.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -654 R2H_S C_rad_out_H/NonDeC Cs_H_out_H/OneDe 300-1500 8.41E+09 0.35 0 29.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -655 R2H_S C_rad_out_H/OneDe Cs_H_out_Cs2 300-1500 1.01E+12 0.33 0 42.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -656 R2H_S C_rad_out_Cs2 Cs_H_out_H/OneDe 300-1500 1.47E+08 1.27 0 30.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -657 R2H_S C_rad_out_OneDe/Cs Cs_H_out_2H 300-1500 7.69E+08 1.31 0 48.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -658 R2H_S C_rad_out_2H Cs_H_out_OneDe 300-1500 4.89E+09 0.81 0 25.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -659 R2H_S C_rad_out_OneDe/Cs Cs_H_out_H/NonDeC 300-1500 2.13E+10 0.77 0 46.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -660 R2H_S C_rad_out_H/NonDeC Cs_H_out_OneDe 300-1500 8.83E+10 0.3 0 29.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -661 R2H_S C_rad_out_OneDe/Cs Cs_H_out_Cs2 300-1500 3.62E+13 -0.14 0 44.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -662 R2H_S C_rad_out_Cs2 Cs_H_out_OneDe 300-1500 8.20E+09 0.65 0 31.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -663 R2H_D Cd_rad_out_singleH Cd_H_out_singleH 300-1500 7.28E+10 0.86 0 45.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -664 R2H_D Cd_rad_out_singleH Cd_H_out_singleNd 300-1500 3.24E+11 0.73 0 42.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -665 R2H_D Cd_rad_out_singleNd Cd_H_out_singleH 300-1500 1.62E+11 0.8 0 47.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -666 R2H_D Cd_rad_out_singleNd Cd_H_out_singleNd 300-1500 3.94E+11 0.69 0 44.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -667 R2H_S C_rad_out_Cs2_cy3 Cs_H_out_2H 300-1500 4.58E+09 1.08 0 40.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -668 R2H_S C_rad_out_2H Cs_H_out_Cs2_cy3 300-1500 1.14E+10 0.81 0 46.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -669 R2H_S C_rad_out_Cs2_cy3 Cs_H_out_H/NonDeC 300-1500 6.33E+10 0.65 0 38.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -670 R2H_S C_rad_out_H/NonDeC Cs_H_out_Cs2_cy3 300-1500 2.74E+09 0.98 0 46.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -671 R2H_S C_rad_out_Cs2_cy3 Cs_H_out_Cs2 300-1500 5.90E+11 0.36 0 35.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -672 R2H_S C_rad_out_Cs2 Cs_H_out_Cs2_cy3 300-1500 1.44E+08 1.39 0 47.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -673 R2H_S C_rad_out_2H Cs_H_out_Cs2_cy4 300-1500 9.75E+09 0.98 0 36.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -674 R2H_S C_rad_out_Cs2_cy4 Cs_H_out_2H 300-1500 7.44E+08 1.2 0 41.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -675 R2H_S C_rad_out_H/NonDeC Cs_H_out_Cs2_cy4 300-1500 5.64E+09 1 0 38.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -676 R2H_S C_rad_out_Cs2_cy4 Cs_H_out_H/NonDeC 300-1500 6.56E+09 0.81 0 39.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -677 R2H_S C_rad_out_Cs2 Cs_H_out_Cs2_cy4 300-1500 9.31E+08 1.21 0 38.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -678 R2H_S C_rad_out_Cs2_cy4 Cs_H_out_Cs2 300-1500 4.86E+10 0.58 0 38.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -679 R2H_S C_rad_out_Cs2_cy5 Cs_H_out_2H 300-1500 1.07E+09 1.19 0 42.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -680 R2H_S C_rad_out_2H Cs_H_out_Cs2_cy5 300-1500 3.35E+09 0.99 0 33.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -681 R2H_S C_rad_out_H/NonDeC Cs_H_out_Cs2_cy5 300-1500 3.29E+09 0.89 0 36.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -682 R2H_S C_rad_out_Cs2_cy5 Cs_H_out_H/NonDeC 300-1500 1.08E+10 0.81 0 41.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -683 R2H_S C_rad_out_Cs2 Cs_H_out_Cs2_cy5 300-1500 7.48E+07 1.45 0 37.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -684 R2H_S C_rad_out_Cs2_cy5 Cs_H_out_Cs2 300-1500 1.24E+11 1.47 0 39.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -685 R2H_S_cy3 C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 2.25E+11 0.6 0 44.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -686 R2H_S_cy3 C_rad_out_H/NonDeC Cs_H_out_Cs2 300-1500 1.72E+12 0.37 0 41.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -687 R2H_S_cy3 C_rad_out_Cs2 Cs_H_out_Cs2 300-1500 5.69E+11 0.51 0 43.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -688 R2H_S_cy4 C_rad_out_H/NonDeC Cs_H_out_Cs2 300-1500 1.56E+12 0.24 0 39.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -689 R2H_S_cy4 C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 1.49E+10 0.79 0 42.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -//690. R2H_S_cy4 C_rad_out_ Cs_H_out_ 300-1500 2.38E+11 0.5 0 40.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -691 R2H_S_cy5 C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 1.71E+11 0.61 0 41.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -692 R2H_S_cy5 C_rad_out_H/NonDeC Cs_H_out_Cs2 300-1500 3.72E+12 0.26 0 39.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -693 R2H_S_cy5 C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 5.88E+11 0.51 0 41.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -694 R3H_SS C_rad_out_2H Cs_H_out_2H 300-1500 5.76E+08 1.17 0 36.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -695 R3H_SS C_rad_out_2H Cs_H_out_H/NonDeC 300-1500 5.90E+09 0.82 0 35.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -696 R3H_SS C_rad_out_H/NonDeC Cs_H_out_2H 300-1500 1.19E+08 1.32 0 38.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -697 R3H_SS C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 5.50E+08 1.01 0 36.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -698 R3H_SS C_rad_out_2H Cs_H_out_Cs2 300-1500 2.25E+10 0.66 0 32.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -699 R3H_SS C_rad_out_Cs2 Cs_H_out_2H 300-1500 3.89E+06 1.77 0 37.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -700 R3H_SS C_rad_out_H/NonDeC Cs_H_out_Cs2 300-1500 7.27E+09 0.66 0 34.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -701 R3H_SS C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 1.71E+07 1.41 0 36.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -702 R3H_SS C_rad_out_Cs2 Cs_H_out_Cs2 300-1500 6.78E+08 1 0 35.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -703 R3H_DS Cd_rad_out_singleH Cs_H_out_2H 300-1500 5.10E+09 0.97 0 37.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -// Aaron Vandeputte 2013 Definitely wrong compare with 706 and 708, replaced by BMK/cbsb7 rate coefficients -//704 R3H_SD C_rad_out_2H Cd_H_out_singleH 300-1500 2.11E+11 0.58 0 38.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -704 R3H_SD C_rad_out_2H Cd_H_out_singleH 300-1500 4.76E+03 2.82 0 57.1 0 0 0 0 2 calculated BMK/cbsb7 Aaron Vandeputte -705 R3H_DS Cd_rad_out_singleH Cs_H_out_H/NonDeC 300-1500 9.23E+09 0.74 0 34.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -706 R3H_SD C_rad_out_H/NonDeC Cd_H_out_singleH 300-1500 4.16E+10 0.77 0 64.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -707 R3H_DS Cd_rad_out_singleH Cs_H_out_Cs2 300-1500 6.04E+10 0.59 0 32.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -708 R3H_SD C_rad_out_Cs2 Cd_H_out_singleH 300-1500 8.53E+08 1.27 0 63.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -709 R3H_DS Cd_rad_out_singleNd Cs_H_out_2H 300-1500 2.58E+09 1.08 0 38.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -710 R3H_SD C_rad_out_2H Cd_H_out_singleNd 300-1500 1.91E+11 0.63 0 61.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -711 R3H_DS Cd_rad_out_singleNd Cs_H_out_H/NonDeC 300-1500 5.91E+09 0.86 0 35.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -712 R3H_SD C_rad_out_H/NonDeC Cd_H_out_singleNd 300-1500 3.96E+10 0.83 0 61.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -713 R3H_DS Cd_rad_out_singleNd Cs_H_out_Cs2 300-1500 8.05E+09 0.86 0 33.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -714 R3H_SD C_rad_out_Cs2 Cd_H_out_singleNd 300-1500 6.05E+10 0.79 0 61.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -715 R3H_SS Cd_rad_out_double Cs_H_out_2H 300-1500 7.68E+08 1.24 0 36.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -716 R3H_SS C_rad_out_2H Cd_H_out_doubleC 300-1500 3.24E+08 1.14 0 41.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -717 R3H_SS Cd_rad_out_double Cs_H_out_H/NonDeC 300-1500 1.66E+09 0.99 0 33.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -718 R3H_SS C_rad_out_H/NonDeC Cd_H_out_doubleC 300-1500 3.37E+07 1.41 0 42.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -719 R3H_SS Cd_rad_out_double Cs_H_out_Cs2 300-1500 1.10E+10 0.78 0 31.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -720 R3H_SS C_rad_out_Cs2 Cd_H_out_doubleC 300-1500 3.50E+06 1.68 0 42.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -721 R3H_SS_2Cd C_rad_out_2H Cs_H_out_2H 300-1500 3.93E+09 1.26 0 52.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -722 R3H_SS_2Cd C_rad_out_2H Cs_H_out_H/NonDeC 300-1500 4.20E+10 0.82 0 49.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -723 R3H_SS_2Cd C_rad_out_H/NonDeC Cs_H_out_2H 300-1500 5.64E+08 1.47 0 53.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -724 R3H_SS_2Cd C_rad_out_2H Cs_H_out_Cs2 300-1500 1.43E+11 0.65 0 47.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -725 R3H_SS_2Cd C_rad_out_Cs2 Cs_H_out_2H 300-1500 7.12E+07 1.72 0 51.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -726 R3H_SS_2Cd C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 1.21E+10 0.91 0 49.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -727 R3H_SS_2Cd C_rad_out_H/NonDeC Cs_H_out_Cs2 300-1500 3.46E+10 0.76 0 47.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -728 R3H_SS_2Cd C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 6.14E+10 0.8 0 48.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -729 R3H_SS_2Cd C_rad_out_Cs2 Cs_H_out_Cs2 300-1500 1.76E+09 1.18 0 43.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -730 R3H_SS C_rad_out_H/OneDe Cs_H_out_2H 300-1500 3.80E+09 0.99 0 48.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -731 R3H_SS C_rad_out_2H Cs_H_out_H/OneDe 300-1500 1.66E+08 1.1 0 29.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -732 R3H_SS C_rad_out_H/OneDe Cs_H_out_H/NonDeC 300-1500 6.77E+09 0.74 0 46.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -733 R3H_SS C_rad_out_H/NonDeC Cs_H_out_H/OneDe 300-1500 3.41E+09 0.73 0 30.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -734 R3H_SS C_rad_out_H/OneDe Cs_H_out_Cs2 300-1500 9.06E+10 0.44 0 43.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -735 R3H_SS C_rad_out_Cs2 Cs_H_out_H/OneDe 300-1500 6.40E+06 1.56 0 30.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -736 R3H_SS_12cy3 C_rad_out_H/NonDeC Cs_H_out_2H 300-1500 2.62E+10 0.69 0 35.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -737 R3H_SS_23cy3 C_rad_out_2H Cs_H_out_H/NonDeC 300-1500 1.04E+10 0.71 0 34.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -738 R3H_SS_12cy3 C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 3.16E+11 0.26 0 33.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -739 R3H_SS_23cy3 C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 5.63E+08 1.01 0 45.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -740 R3H_SS_12cy3 C_rad_out_H/NonDeC Cs_H_out_Cs2 300-1500 2.26E+13 0.26 0 32.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -741 R3H_SS_23cy3 C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 2.68E+07 1.42 0 46.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -742 R3H_SS C_rad_out_Cs2_cy3 Cs_H_out_2H 300-1500 1.78E+09 1.04 0 36.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -743 R3H_SS C_rad_out_2H Cs_H_out_Cs2_cy3 300-1500 9.72E+09 0.78 0 39.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -744 R3H_SS C_rad_out_Cs2_cy3 Cs_H_out_H/NonDeC 300-1500 3.39E+09 0.77 0 33.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -745 R3H_SS C_rad_out_H/NonDeC Cs_H_out_Cs2_cy3 300-1500 1.73E+08 1.14 0 40.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -746 R3H_SS C_rad_out_Cs2_cy3 Cs_H_out_Cs2 300-1500 9.08E+10 0.36 0 31.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -747 R3H_SS C_rad_out_Cs2 Cs_H_out_Cs2_cy3 300-1500 3.86E+06 1.65 0 0.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -748 R3H_SS_12cy4 C_rad_out_H/NonDeC Cs_H_out_2H 300-1500 2.90E+10 0.57 0 39.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -749 R3H_SS_23cy4 C_rad_out_2H Cs_H_out_H/NonDeC 300-1500 3.43E+09 0.93 0 38.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -750 R3H_SS_12cy4 C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 1.90E+11 0.27 0 37.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -751 R3H_SS_23cy4 C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 2.59E+08 1.2 0 39.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -752 R3H_SS_12cy4 C_rad_out_H/NonDeC Cs_H_out_Cs2 300-1500 1.63E+12 -0.04 0 37.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -753 R3H_SS_23cy4 C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 2.19E+07 1.55 0 40.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -754 R3H_SS C_rad_out_Cs2_cy4 Cs_H_out_2H 300-1500 1.08E+08 1.25 0 39.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -755 R3H_SS C_rad_out_2H Cs_H_out_Cs2_cy4 300-1500 5.09E+09 0.84 0 34.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -756 R3H_SS C_rad_out_Cs2_cy4 Cs_H_out_H/NonDeC 300-1500 3.05E+08 0.99 0 37.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -757 R3H_SS C_rad_out_H/NonDeC Cs_H_out_Cs2_cy4 300-1500 5.69E+08 0.97 0 35.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -758 R3H_SS C_rad_out_Cs2_cy4 Cs_H_out_Cs2 300-1500 8.20E+09 0.54 0 35.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -759 R3H_SS C_rad_out_Cs2 Cs_H_out_Cs2_cy4 300-1500 3.49E+07 1.38 0 35.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -760 R3H_SS_12cy5 C_rad_out_H/NonDeC Cs_H_out_2H 300-1500 6.85E+10 0.6 0 40.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -761 R3H_SS_23cy5 C_rad_out_2H Cs_H_out_H/NonDeC 300-1500 1.25E+09 0.99 0 34.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -762 R3H_SS_12cy5 C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 3.67E+11 0.29 0 38.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -763 R3H_SS_23cy5 C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 2.42E+08 1.14 0 36.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -764 R3H_SS_12cy5 C_rad_out_H/NonDeC Cs_H_out_Cs2 300-1500 9.42E+11 0.12 0 37.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -765 R3H_SS_23cy5 C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 1.58E+06 1.78 0 39.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -766 R3H_SS C_rad_out_Cs2_cy5 Cs_H_out_2H 300-1500 3.14E+08 1.26 0 41.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -767 R3H_SS C_rad_out_2H Cs_H_out_Cs2_cy5 300-1500 6.90E+09 0.82 0 32.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -768 R3H_SS C_rad_out_Cs2_cy5 Cs_H_out_H/NonDeC 300-1500 4.25E+08 1.01 0 39.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -769 R3H_SS C_rad_out_H/NonDeC Cs_H_out_Cs2_cy5 300-1500 7.50E+08 0.9 0 34.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -770 R3H_SS C_rad_out_Cs2_cy5 Cs_H_out_Cs2 300-1500 1.97E+10 0.46 0 37.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -771 R3H_SS C_rad_out_Cs2 Cs_H_out_Cs2_cy5 300-1500 2.21E+08 1.04 0 34.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -772 R3H_SS_12cy3 C_rad_out_Cs2 Cs_H_out_2H 300-1500 8.64E+09 0.84 0 6.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -773 R3H_SS_23cy3 C_rad_out_2H Cs_H_out_Cs2 300-1500 5.02E+10 0.56 0 42.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -774 R3H_SS_12cy3 C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 1.22E+11 0.4 0 34.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -775 R3H_SS_23cy3 C_rad_out_H/NonDeC Cs_H_out_Cs2 300-1500 4.34E+09 0.81 0 43.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -776 R3H_SS_12cy3 C_rad_out_Cs2 Cs_H_out_Cs2 300-1500 2.72E+12 -0.04 0 33.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -777 R3H_SS_23cy3 C_rad_out_Cs2 Cs_H_out_Cs2 300-1500 1.61E+08 1.26 0 42.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -778 R3H_SS_13cy4 C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 1.78E+11 0.29 0 54.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -779 R3H_SS_13cy4 C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 2.48E+10 0.6 0 54.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -780 R3H_SS_13cy4 C_rad_out_H/NonDeC Cs_H_out_Cs2 300-1500 2.66E+12 0 0 51.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -781 R3H_SS_13cy4 C_rad_out_Cs2 Cs_H_out_Cs2 300-1500 3.55E+11 0.37 0 51.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -782 R3H_SS_13cy5 C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 1.36E+11 0.46 0 47.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -783 R3H_SS_13cy5 C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 5.72E+09 0.86 0 47.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -784 R3H_SS_13cy5 C_rad_out_H/NonDeC Cs_H_out_Cs2 300-1500 1.10E+12 0.23 0 44.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -785 R3H_SS_13cy5 C_rad_out_Cs2 Cs_H_out_Cs2 300-1500 6.07E+10 0.62 0 43.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -786 R3H_SS_12cy5 C_rad_out_Cs2 Cs_H_out_2H 300-1500 1.84E+09 1.05 0 41.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -787 R3H_SS_23cy5 C_rad_out_2H Cs_H_out_Cs2 300-1500 4.51E+09 0.86 0 33.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -788 R3H_SS_12cy5 C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 5.04E+09 0.74 0 38.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -789 R3H_SS_23cy5 C_rad_out_H/NonDeC Cs_H_out_Cs2 300-1500 1.95E+09 0.88 0 35.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -790 R3H_SS_12cy5 C_rad_out_Cs2 Cs_H_out_Cs2 300-1500 1.44E+10 0.74 0 37.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -791 R3H_SS_23cy5 C_rad_out_Cs2 Cs_H_out_Cs2 300-1500 2.85E+07 1.46 0 36.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -792 R3H_SS_12cy4 C_rad_out_Cs2 Cs_H_out_2H 300-1500 8.28E+08 1.07 0 40.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -793 R3H_SS_23cy4 C_rad_out_2H Cs_H_out_Cs2 300-1500 1.93E+10 0.75 0 36.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -794 R3H_SS_12cy4 C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 4.41E+09 0.77 0 38.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -795 R3H_SS_23cy4 C_rad_out_H/NonDeC Cs_H_out_Cs2 300-1500 1.96E+09 0.96 0 38.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -796 R3H_SS_12cy4 C_rad_out_Cs2 Cs_H_out_Cs2 300-1500 2.37E+10 0.62 0 37.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -797 R3H_SS_23cy4 C_rad_out_Cs2 Cs_H_out_Cs2 300-1500 4.96E+07 1.46 0 39.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -798 R3H_SS_OOCs O_rad_out Cs_H_out_2H 300-1500 4.71E+08 1.45 0 42.27 0 0 0 0 2 Sumathy CBS-Q calculations -799 R3H_SS_OOCs O_rad_out Cs_H_out_H/NonDeC 300-1500 6.66E+08 1.28 0 39.74 0 0 0 0 2 Sumathy CBS-Q calculations -800 R3H_SS_OOCs O_rad_out Cs_H_out_H/(NonDeC/Cs) 300-1500 2.43E+09 1.17 0 39.66 0 0 0 0 2 Sumathy CBS-Q calculations -801 R3H_SS_OOCs O_rad_out Cs_H_out_H/(NonDeC/Cs/Cs) 300-1500 1.07E+10 0.98 0 39.58 0 0 0 0 2 Sumathy CBS-Q calculations -802 R3H_SS_OOCs O_rad_out Cs_H_out_H/(NonDeC/Cs/Cs/Cs) 300-1500 6.62E+09 1.04 0 39.34 0 0 0 0 2 Sumathy CBS-Q calculations -803 R3H_SS_OOCs O_rad_out Cs_H_out_Cs2 300-1500 4.97E+09 1.01 0 38.47 0 0 0 0 2 Sumathy CBS-Q calculations -804 R4H_SSS_OOCsCs O_rad_out Cs_H_out_2H 300-1500 1.99E+11 0.15 0 34.21 0 0 0 0 2 Sumathy CBS-Q calculations -805 R4H_SSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_2H 300-1500 6.38E+08 1.06 0 33.51 0 0 0 0 2 Sumathy CBS-Q calculations -806 R4H_SSS_OO(Cs/Cs/Cs)Cs O_rad_out Cs_H_out_2H 300-1500 5.06E+08 1.20 0 33.53 0 0 0 0 2 Sumathy CBS-Q calculations - -807 R4H_SSS_OOCsCs O_rad_out Cs_H_out_H/NonDeC 300-1500 2.00E+08 1.10 0 30.09 0 0 0 0 2 -808 R4H_SSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_H/NonDeC 300-1500 9.81E+08 0.88 0 29.48 0 0 0 0 2 -809 R4H_SSS_OO(Cs/Cs/Cs)Cs O_rad_out Cs_H_out_H/NonDeC 300-1500 3.53E+09 0.69 0 30.11 0 0 0 0 2 -810 R4H_SSS_OOCsCs O_rad_out Cs_H_out_Cs2 300-1500 2.64E+09 0.78 0 27.11 0 0 0 0 2 -811 R4H_SSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_Cs2 300-1500 9.25E+09 0.57 0 27.31 0 0 0 0 2 -812 R4H_SSS_OO(Cs/Cs/Cs)Cs O_rad_out Cs_H_out_Cs2 300-1500 4.87E+10 0.35 0 26.39 0 0 0 0 2 -813 R5H_SSSS_OOCCC O_rad_out Cs_H_out_2H 300-1500 1690000 1.55 0 21.02 0 0 0 0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). -814 R5H_SSSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_2H 300-1500 6780000 1.35 0 20.84 0 0 0 0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). -815 R5H_SSSS_OO(Cs/Cs/Cs)Cs O_rad_out Cs_H_out_2H 300-1500 4.35E+07 1.12 0 21.88 0 0 0 0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). -816 R5H_SSSS_OOCs(Cs/Cs) O_rad_out Cs_H_out_2H 300-1500 1.41E+07 1.32 0 21.50 0 0 0 0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). -817 R5H_SSSS_OOCs(Cs/Cs/Cs) O_rad_out Cs_H_out_2H 300-1500 1.09E+08 1.23 0 21.62 0 0 0 0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). -818 R5H_SSSS_OOCCC O_rad_out Cs_H_out_H/NonDeC 300-1500 8.94E+06 1.26 0 18.17 0 0 0 0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). -819 R5H_SSSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_H/NonDeC 300-1500 3.38E+10 0.21 0 18.50 0 0 0 0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). -820 R5H_SSSS_OOCCC O_rad_out Cs_H_out_Cs2 300-1500 31.74E+07 1.15 0 15.37 0 0 0 0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). -821 R6H_SSSSS_OO O_rad_out Cs_H_out_2H 300-1500 3.69E+05 1.52 0 20.05 0 0 0 0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). -822 R6H_SSSSS_OO O_rad_out Cs_H_out_H/NonDeC 300-1500 1.62E+06 1.22 0 16.60 0 0 0 0 2 Curran's [8] estimation in reaction type 19, QOOH = cyclic ether + OH -823 R6H_SSSSS_OO O_rad_out Cs_H_out_Cs2 300-1500 1.48E+06 1.22 0 13.84 0 0 0 0 2 Curran's [8] estimation in reaction type 19, QOOH = cyclic ether + OH -824 R7H_OOCs4 O_rad_out Cs_H_out_2H 300-1500 9.06E+04 1.51 0 19.95 0 0 0 0 2 Curran's [8] estimation in reaction type 19, QOOH = cyclic ether + OH -825 R7H_OOCs4 O_rad_out Cs_H_out_H/NonDeC 300-1500 1.37E+06 0.99 0 18.17 0 0 0 0 2 Curran's [8] estimation in reaction type 19, QOOH = cyclic ether + OH -826 R7H_OOCs4 O_rad_out Cs_H_out_Cs2 300-1500 5.62E+05 1.09 0 14.28 0 0 0 0 2 - -//827 R2H_S C_rad_out_2H Cs_H_out_H/(CCCOOH) 300-1500 4.07E+09 0.99 0 37.33 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). -//828 R2H_S C_rad_out_H/NonDeC Cs_H_out_H/(CCCOOH) 300-1500 6.70E+08 1.15 0 39.04 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). -//829 R2H_S C_rad_out_Cs2 Cs_H_out_H/(CCCOOH) 300-1500 3.56E+07 1.53 0 40.58 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). -//830 R2H_S C_rad_out_2H Cs_H_out_H/((C/C)CCOOH) 300-1500 2.83E+11 0.45 0 35.92 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). -//831 R2H_S C_rad_out_H/NonDeC Cs_H_out_H/((C/C)CCOOH) 300-1500 6.89E+10 0.43 0 38.88 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). -//832 R2H_S C_rad_out_2H Cs_H_out_H/(CCOOH) 300-1500 5.87E+08 1.28 0 36.70 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). -//833 R2H_S C_rad_out_H/NonDeC Cs_H_out_H/(CCOOH) 300-1500 1.75E+08 1.29 0 37.93 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). -//834 R2H_S C_rad_out_Cs2 Cs_H_out_H/(CCOOH) 300-1500 2.14E+08 1.42 0 38.71 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). -//835 R2H_S C_rad_out_2H Cs_H_out_H/((C/C)COOH) 300-1500 4.28E+09 1.12 0 34.69 0 0 0 0 2 Sumathy's CBS-QB3 calculations. -//836 R2H_S C_rad_out_H/NonDeC Cs_H_out_H/((C/C)COOH) 300-1500 3.53E+10 0.68 0 37.43 0 0 0 0 2 Sumathy's CBS-QB3 calculations. -//837 R2H_S C_rad_out_Cs2 Cs_H_out_H/((C/C)COOH) 300-1500 1.24E+09 1.11 0 39.38 0 0 0 0 2 Sumathy's CBS-QB3 calculations. -//838 R3H_SS C_rad_out_2H Cs_H_out_H/(CCOOH) 300-1500 6.02E+08 1.11 0 36.56 0 0 0 0 2 Sumathy's CBS-QB3 calculations. -//839 R3H_SS C_rad_out_H/NonDeC Cs_H_out_H/(CCOOH) 300-1500 1.63E+07 1.54 0 37.27 0 0 0 0 2 Sumathy's CBS-QB3 calculations. -//840 R3H_SS C_rad_out_Cs2 Cs_H_out_H/(CCOOH) 300-1500 3.13E+05 2.04 0 36.64 0 0 0 0 2 Sumathy's CBS-QB3 calculations. -//841 R3H_SS C_rad_out_2H Cs_H_out_H/((C/C)COOH) 300-1500 6.95E+09 0.79 0 34.71 0 0 0 0 2 Sumathy's CBS-QB3 calculations. -//842 R3H_SS C_rad_out_H/NonDeC Cs_H_out_H/((C/C)COOH) 300-1500 3.53E+10 0.68 0 37.43 0 0 0 0 2 Sumathy's CBS-QB3 calculations. -//843 R3H_SS C_rad_out_Cs2 Cs_H_out_H/((C/C)COOH) 300-1500 4.44E+09 0.8 0 35.84 0 0 0 0 2 Sumathy's CBS-QB3 calculations. -//844 R3H_SS C_rad_out_2H Cs_H_out_H/(COOH) 300-1500 1.51E+08 1.16 0 36.24 0 0 0 0 2 Sumathy's CBS-QB3 calculations. -//845 R3H_SS C_rad_out_H/NonDeC Cs_H_out_H/(COOH) 300-1500 1.37E+07 1.36 0 37.15 0 0 0 0 2 -//846 R3H_SS C_rad_out_Cs2 Cs_H_out_H/(COOH) 300-1500 4.08E+06 1.55 0 36.68 0 0 0 0 2 -//847 R3H_SS C_rad_out_2H Cs_H_out_H/((C/C)OOH) 300-1500 4.69E+09 0.68 0 34.81 0 0 0 0 2 -//848 R3H_SS C_rad_out_H/NonDeC Cs_H_out_H/((C/C)OOH) 300-1500 5.18E+08 0.87 0 36.12 0 0 0 0 2 -//849 R3H_SS C_rad_out_Cs2 Cs_H_out_H/((C/C)OOH) 300-1500 1.07E+07 1.37 0 35.66 0 0 0 0 2 -//8441 R4H_SSS C_rad_out_2H Cs_H_out_H/(COOH) 300-1500 8.73E+06 1.13 0 18.93 0 0 0 0 2 -//8451 R4H_SSS C_rad_out_H/NonDeC Cs_H_out_H/(COOH) 300-1500 6.95E+05 1.38 0 19.67 0 0 0 0 2 -//8461 R4H_SSS C_rad_out_Cs2 Cs_H_out_H/(COOH) 300-1500 1.74E+04 1.89 0 18.51 0 0 0 0 2 -//8471 R4H_SSS C_rad_out_2H Cs_H_out_H/((C/C)OOH) 300-1500 1.09E+09 0.55 0 17.43 0 0 0 0 2 -//8481 R4H_SSS C_rad_out_H/NonDeC Cs_H_out_H/((C/C)OOH) 300-1500 7.86E+07 0.84 0 15.38 0 0 0 0 2 -//8491 R4H_SSS C_rad_out_Cs2 Cs_H_out_H/((C/C)OOH) 300-1500 1.05E+06 1.39 0 16.19 0 0 0 0 2 - -//From 850 to 869 added by Sandeep. The rate rules are from DFT/CBSB7 level of calculations. - -850 R3H_SS_OOCs O_rad_out Cs_H_out_H/NonDeO 300-1500 3.00e8 1.23 0 36.85 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -851 R3H_SS_OOCs O_rad_out Cs_H_out_NDMustO 300-1500 3.00e8 1.23 0 36.85 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -852 R4H_SSS_OOCsCs O_rad_out Cs_H_out_H/NonDeO 300-1500 1.61e8 1.09 0 26.14 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -855 R4H_SSS_OOCsCs O_rad_out Cs_H_out_NDMustO 300-1500 5.29e9 0.75 0 24.82 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -855 R4H_SSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_H/NonDeO 300-1500 9.20e8 0.82 0 26.28 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -856 R4H_SSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_NDMustO 300-1500 1.18e11 0.51 0 26.20 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -858 R5H_SSSS_OOCCC O_rad_out Cs_H_out_H/NonDeO 300-1500 1.15e4 2.11 0 15.47 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -863 R5H_SSSS_OOCCC O_rad_out Cs_H_out_NDMustO 300-1500 1.9e7 1.1 0 15.40 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -864 R5H_SSSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_H/NonDeO 300-1500 2.29e8 1.12 0 15.38 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -865 R5H_SSSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_NDMustO 300-1500 1.17e11 0.43 0 15.40 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -866 R6H_SSSSS_OO O_rad_out Cs_H_out_H/NonDeO 300-1500 5.49e2 2.21 0 14.38 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -867 R6H_SSSSS_OO O_rad_out Cs_H_out_NDMustO 300-1500 7.23e4 1.65 0 12.02 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. - -//// rwest 2008/10/22: these commented out because functional group R6H_SSSSS_(Cs/Cs)OO is not recognised -//867 R6H_SSSSS_(Cs/Cs)OO O_rad_out Cs_H_out_H/NonDeO 300-1500 1.6e4 1.89 0 14.38 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -//867 R6H_SSSSS_(Cs/Cs)OO O_rad_out Cs_H_out_NDMustO 300-1500 1.03e5 1.26 0 12.02 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -868 R7H_OOCs4 O_rad_out Cs_H_out_H/NonDeO 300-1500 9.33e5 0.75 0 12.82 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -869 R7H_OOCs4 O_rad_out Cs_H_out_NDMustO 300-1500 3.41e6 1.09 0 12.50 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -//From 870 to 875 added by sandeep based on the work done on 1,3-hexadiene chemistry cbs-qb3 -870 R4H_SDS C_rad_out_2H Cd_H_out_doubleC 300-1600 1.32E+06 1.6229 0 44.071 0 0 0 0 3 Sandeep's CBS-QB3 calculations. -871 R4H_SDS Cd_rad_out_double Cs_H_out_2H 300-1600 1.11E+08 1.1915 0 24.7623 0 0 0 0 3 Sandeep's CBS-QB3 calculations. -872 R5H_SMSD C_rad_out_2H Cd_H_out_singleH 300-1600 2.19E+05 1.7613 0 38.275 0 0 0 0 3 Sandeep's CBS-QB3 calculations. -873 R5H_DSMS Cd_rad_out_singleH Cs_H_out_2H 300-1600 1.36E+05 1.9199 0 7.8968 0 0 0 0 3 Sandeep's CBS-QB3 calculations. -874 R3H_SD C_rad_out_2H Cd_H_out_singleDe 300-1600 1.59E+07 1.4638 0 66.3163 0 0 0 0 3 Sandeep's CBS-QB3 calculations. -875 R3H_DS Cd_rad_out_singleDe Cs_H_out_2H 300-1600 1283712039 1.0541 0 46.1467 0 0 0 0 3 Sandeep's CBS-QB3 calculations. -876 R4H_SDS O_rad_out Cs_H_out_H/NonDeC 600-2000 1.11E+06 1.78 0 27.18 *3 0 0 2 3 MHS CBS-QB3 calculations. -877 R5H_SSSD O_rad_out Cd_H_out_singleH 600-2000 1.234E+06 1.554 0 26.636 *3 0 0 2 3 MRH CBS-QB3 calculations w/1d h.r. corrections - - -901 R2H_S C_rad_out_2H S_H_out 300-1500 7.22E-02 4.07 0.00 20.90 0 0 0 0 1 A. G. Vandeputte -//// cclass 7/27/10: commented out because R3H_SS_C isn't recognized -//902 R3H_SS_C C_rad_out_2H S_H_out 300-1500 8.55E+01 3.04 0.00 11.62 0 0 0 0 1 A. G. Vandeputte -903 R3H_SS_S C_rad_out_2H S_H_out 300-1500 8.21E-04 4.56 0.00 16.05 0 0 0 0 1 A. G. Vandeputte -904 R4H_SSS C_rad_out_2H S_H_out 300-1500 3.73E+08 0.882 0.00 5.35 0 0 0 0 1 A. G. Vandeputte -905 R4H_SSS C_rad_out_2H S_H_out 300-1500 1.91E+07 1.26 0.00 7.13 0 0 0 0 1 A. G. Vandeputte -906 R4H_SSS C_rad_out_2H S_H_out 300-1500 1.18E+02 2.80 0.00 7.75 0 0 0 0 1 A. G. Vandeputte -907 R4H_SSS C_rad_out_2H S_H_out 300-1500 2.10E+07 1.28 0.00 7.93 0 0 0 0 1 A. G. Vandeputte -908 R5H_SSSS C_rad_out_2H S_H_out 300-1500 2.21E+10 0.214 0.00 2.04 0 0 0 0 1 A. G. Vandeputte -909 R5H_SSSS C_rad_out_2H S_H_out 300-1500 1.82E+09 0.586 0.00 3.88 0 0 0 0 1 A. G. Vandeputte -910 R5H_SSSS C_rad_out_2H S_H_out 300-1500 1.94E+10 0.329 0.00 3.45 0 0 0 0 1 A. G. Vandeputte -911 R5H_SSSS C_rad_out_2H S_H_out 300-1500 1.88E+10 0.269 0.00 3.69 0 0 0 0 1 A. G. Vandeputte - -// Added by AJ for intra_H abstraction in HOOQOO radicals (rates take from Sandeep's paper DOI: 10.1021/jp9098792) -878 R4H_SSS_OOCsCs O_rad_out Cs_H_out_OOH/H 300-1500 2.47e12 -0.24 0 28.00 0 0 0 0 3 [AJ]Sandeep's DFT/CBSB7 level of calculations. -879 R4H_SSS_OOCsCs O_rad_out Cs_H_out_OOH/Cs 300-1500 2.76e8 1.20 0 25.70 0 0 0 0 3 [AJ]Sandeep's DFT/CBSB7 level of calculations. -880 R4H_SSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_OOH/H 300-1500 1.22e7 1.60 0 27.90 0 0 0 0 3 [AJ]Sandeep's DFT/CBSB7 level of calculations. -881 R4H_SSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_OOH/Cs 300-1500 1.75e8 1.70 0 26.00 0 0 0 0 3 [AJ]Sandeep's DFT/CBSB7 level of calculations. -882 R5H_SSSS_OOCCC O_rad_out Cs_H_out_OOH/H 300-1500 2.59e4 1.90 0 18.80 0 0 0 0 3 [AJ]Sandeep's DFT/CBSB7 level of calculations. -883 R5H_SSSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_OOH/H 300-1500 5.49e3 2.40 0 19.90 0 0 0 0 3 [AJ]Sandeep's DFT/CBSB7 level of calculations. -884 R5H_SSSS_OOCs(Cs/Cs/Cs) O_rad_out Cs_H_out_OOH/H 300-1500 6.50e0 3.60 0 17.70 0 0 0 0 3 [AJ]Sandeep's DFT/CBSB7 level of calculations. -885 R5H_SSSS_OOCCC O_rad_out Cs_H_out_OOH/Cs 300-1500 5.79e1 2.90 0 17.00 0 0 0 0 3 [AJ]Sandeep's DFT/CBSB7 level of calculations. -886 R5H_SSSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_OOH/Cs 300-1500 1.75e2 3.10 0 17.50 0 0 0 0 3 [AJ]Sandeep's DFT/CBSB7 level of calculations. -887 R6H_SSSSS_OO O_rad_out Cs_H_out_OOH/H 300-1500 2.38e3 1.70 0 16.60 0 0 0 0 3 [AJ]Sandeep's DFT/CBSB7 level of calculations. -888 R6H_SSSSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_OOH/H 300-1500 6.28e2 2.20 0 17.40 0 0 0 0 3 [AJ]Sandeep's DFT/CBSB7 level of calculations. -889 R6H_SSSSS_OOCCC(Cs/Cs) O_rad_out Cs_H_out_OOH/Cs 300-1500 3.77e2 2.20 0 15.30 0 0 0 0 3 [AJ]Sandeep's DFT/CBSB7 level of calculations. -890 R6H_SSSSS_OO(Cs/Cs)C(Cs/Cs) O_rad_out Cs_H_out_OOH/Cs 300-1500 2.54e2 2.60 0 16.20 0 0 0 0 3 [AJ]Sandeep's DFT/CBSB7 level of calculations. -891 R7H_OOCs4 O_rad_out Cs_H_out_OOH/H 300-1500 5.57e2 1.80 0 16.60 0 0 0 0 3 [AJ]Sandeep's DFT/CBSB7 level of calculations. -892 R7H_OOCCCC(Cs/Cs) O_rad_out Cs_H_out_OOH/Cs 300-1500 2.00e3 1.90 0 14.90 0 0 0 0 3 [AJ]Sandeep's DFT/CBSB7 level of calculations. - -//Added by AJ for 1,5 intra_H migration in long chain alkoxy radicals -893 R5H_CCCC_O O_rad_out Cs_H_out_2H 200-1000 4.00e10 0.00 0 7.61 0 0 0 0 3 [AJ]Atkinson recommendation for 1,5 shifts of primary H (per H atom) -894 R5H_CCCC_O O_rad_out Cs_H_out_H/NonDeC 200-1000 4.00e10 0.00 0 6.15 0 0 0 0 3 [AJ]Atkinson recommendation for 1,5 shifts of secondary H (per H atom) -895 R5H_CCCC_O O_rad_out Cs_H_out 200-1000 4.00e10 0.00 0 5.10 0 0 0 0 3 [AJ]Atkinson recommendation for 1,5 shifts of tertiary H - -//Added by CAC for intra_H migration in sulfide radicals -1001 R4H_SSS_CsCsSCs C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 1.70E+07 1.06 0.0 17.86 0 0 0 0 3 CAC CBS-QB3 calc 1dhr -1002 R5H_SSSS_CsCsCsSCs C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 2.14E+05 1.33 0.0 10.56 0 0 0 0 3 CAC CBS-QB3 calc 1dhr -1003 R4H_SSS C_rad_out_H/NonDeC Cs_H_out_H/NonDeS 300-1500 6.96E+05 1.95 0.0 19.26 0 0 0 0 3 CAC CBS-QB3 calc 1dhr -1004 R5H_SSSS C_rad_out_H/NonDeC Cs_H_out_H/NonDeS 300-1500 5.31E+05 1.58 0.0 12.07 0 0 0 0 3 CAC CBS-QB3 calc 1dhr -1005 R3H_SS O_rad_out S_H_out 300-1500 4.99E+11 0.26 0.0 15.99 0 0 0 0 3 CAC CBS-QB3 calc 1dhr - -// Rules 1006 - 1014 are intra-H migration calculated at RQCISD(T)/CBS//B3LYP/6-311++G(d,p) with 1-d Hindered rotor correction -// Ref Ab Initio Kinetics for the Decomposition of Hydroxybutyl and Butoxy Radicals of n-Butanol,Zhang P.,Klippenstein S.K.,Law C.K. -// dx.doi.org/10.1021/jp400155z | J. Phys. Chem. A 2013, 117, 1890-1906 -// Note some of rate rules were given as sum of two Arrhenius and they were refitted to single Arrhenius - -1006. R3H_SS C_rad_out_H/NonDeC O_H_out 300-2500 5.71 3.021 0.0 25.23 0 0 0 0 2 RQCISD(T)/CBS//B3LYP/6-311++G(d,p) with 1-d Hindered rotor correction -1007. R4H_SSS C_rad_out_H/NonDeO Cs_H_out_2H 300-2500 2.79E4 1.97 0.0 23.1 0 0 0 0 2 RQCISD(T)/CBS//B3LYP/6-311++G(d,p) with 1-d Hindered rotor correction -1008. R2H_S C_rad_out_H/NonDeC O_H_out 300-2500 4.5E3 2.62 0.0 30.9 0 0 0 0 2 RQCISD(T)/CBS//B3LYP/6-311++G(d,p) with 1-d Hindered rotor correction -1009. R4H_SSS C_rad_out_H/NonDeC O_H_out 300-2500 2.96E3 2.11 0.0 20.1 0 0 0 0 2 RQCISD(T)/CBS//B3LYP/6-311++G(d,p) with 1-d Hindered rotor correction -1010. R2H_S C_rad_out_H/NonDeC Cs_H_out_2H 300-2500 1.0E3 2.705 0.0 34.65 0 0 0 0 2 RQCISD(T)/CBS//B3LYP/6-311++G(d,p) with 1-d Hindered rotor correction -1011. R4H_SSS C_rad_out_2H Cs_H_out_H/NonDeO 300-2500 1.52E2 2.77 0.0 14.91 0 0 0 0 2 RQCISD(T)/CBS//B3LYP/6-311++G(d,p) with 1-d Hindered rotor correction -1012. R5H_CCCC_O O_rad_out Cs_H_out_2H 300-2500 2.07E14 1.78 0.0 5.35 0 0 0 0 2 RQCISD(T)/CBS//B3LYP/6-311++G(d,p) with 1-d Hindered rotor correction -1013. R2H_S O_rad_out Cs_H_out_H/(NonDeC/Cs) 300-2500 7.65E4 2.26 0.0 21.27 0 0 0 0 2 RQCISD(T)/CBS//B3LYP/6-311++G(d,p) with 1-d Hindered rotor correction -1014. R4H_SSS O_rad_out Cs_H_out_H/NonDeC 300-2500 1.05E5 1.76 0.0 12.88 0 0 0 0 2 RQCISD(T)/CBS//B3LYP/6-311++G(d,p) with 1-d Hindered rotor correction - -// These rate coefficients are obtained by reversing the rate coefficients from dx.doi.org/10.1021/jp400155z | J. Phys. Chem. A 2013, 117, 1890-1906 -// Ref Ab Initio Kinetics for the Decomposition of Hydroxybutyl and Butoxy Radicals of n-Butanol,Zhang P.,Klippenstein S.K.,Law C.K. -// The thermochemistry for the species is obtained from Mike's n-butanol paper dx.doi.org/10.1016/j.combustflame.2010.06.002 - -1015. R3H_SS O_rad_out Cs_H_out_H/(NonDeC/Cs) 300-2500 9E3 2.287 0.0 20.24 0 0 0 0 3 Obtained by reversing rate rule 1006 -1016. R2H_S C_rad_out_2H Cs_H_out_H/(NonDeC/Cs) 300-2500 1.5E5 2.15 0.0 32.38 0 0 0 0 3 Obtained by reversing rate rule 1010 - -// Additional rate coefficients for intramolecular H abstractions adjacent to a double bond -// A. G. Vandeputte BMK/cbsb7 HO, waiting for 1D-HR - -1017. R3H_SS C_rad_out_2H Cs_H_out_H/OneDe 300-2500 9.46E-19 8.97 0.0 15.78 0 0 0 0 5 A. G. Vandeputte BMK/cbsb7 HO -1018. R3H_SS C_rad_out_2H Cs_H_out_OneDe 300-2500 5.14E-16 8.15 0.0 16.41 0 0 0 0 5 A. G. Vandeputte BMK/cbsb7 HO -1019. R3H_SS C_rad_out_H/NonDeC Cs_H_out_OneDe 300-2500 2.76E-23 10.17 0.0 13.52 0 0 0 0 5 A. G. Vandeputte BMK/cbsb7 HO -1020. R3H_SS C_rad_out_Cs2 Cs_H_out_OneDe 300-2500 8.59E-19 8.79 0.0 16.66 0 0 0 0 5 A. G. Vandeputte BMK/cbsb7 HO -1021. R4H_SSS C_rad_out_2H Cs_H_out_H/OneDe 300-2500 1.13E-04 4.37 0.0 8.06 0 0 0 0 5 A. G. Vandeputte BMK/cbsb7 HO -1022. R4H_SSS C_rad_out_2H Cs_H_out_OneDe 300-2500 1.81E-03 4.25 0.0 9.07 0 0 0 0 5 A. G. Vandeputte BMK/cbsb7 HO -1023. R5H_SSSS C_rad_out_2H Cs_H_out_H/OneDe 300-2500 4.61E+01 3.21 0.0 6.53 0 0 0 0 5 A. G. Vandeputte BMK/cbsb7 HO -1024. R5H_SSSS C_rad_out_2H Cs_H_out_OneDe 300-2500 1.05E+04 2.14 0.0 7.97 0 0 0 0 5 A. G. Vandeputte BMK/cbsb7 HO - -// 1025 calculated, 1027+1028 Estimates - -1025. R4H_SSS C_rad_out_H/NonDeC Cs_H_out_H/OneDe 300-2500 2.51E-01 3.86 0.0 9.95 0 0 0 0 5 A. G. Vandeputte BMK/cbsb7 HO -1027. R6H_SSSSS C_rad_out_2H Cs_H_out_H/OneDe 300-2500 4.61E+01 3.21 0.0 6.53 0 0 0 0 5 A. G. Vandeputte BMK/cbsb7 HO -1028. R6H_SSSSS C_rad_out_2H Cs_H_out_OneDe 300-2500 1.05E+04 2.14 0.0 7.97 0 0 0 0 5 A. G. Vandeputte BMK/cbsb7 HO - -// Eclips in cyclopentane appr 8 kcal/mol - -1029. R6H_SSSSS_bicyclopentane C_rad_out_H/NonDeC Cs_H_out_OneDe 300-2500 4.61E+01 3.21 0.0 14.53 0 0 0 0 5 A. G. Vandeputte BMK/cbsb7 HO -1031. R6H_SSSSS_bicyclopentane C_rad_out_H/NonDeC Cs_H_out_H/OneDe 300-2500 1.05E+04 2.14 0.0 15.97 0 0 0 0 5 A. G. Vandeputte BMK/cbsb7 HO - -// Block C*C=CCH abstractions - -1032. R4H_SMS Y_rad_out XH_out 300-2500 1.0E+10 0.0 0.0 100.0 0 0 0 0 5 estimate -1033. R4H_SDS C_rad_out_H/NonDeC Cs_H_out_H/(NonDeC/Cs) 300-2500 1.0E+10 0.0 0.0 100.0 0 0 0 0 5 estimate - -// Estimates for R6H_SSSSS (taken from R5H_SSSS) -1034. R6H_SSSSS C_rad_out_single Cs_H_out_2H 300-1500 4.28E+11 -1.05 0.0 11.76 0 0 0 0 5 Currans's estimation [5] in his reaction type 5. -1035. R6H_SSSSS C_rad_out_single Cs_H_out_1H 300-1500 1.36E+10 -0.66 0.0 14.28 0 0 0 0 5 Currans's estimation [5] in his reaction type 5. - -// A. G. Vandeputte BMK/cbsb7 HO -1036. R3H_SS_OOCs O_rad_out Cs_H_out_H/Cd 300-1500 1.66E+07 1.69 0.0 38.1 0 0 0 0 5 A. G. Vandeputte BMK/cbsb7 HO -1037. R4H_SSS_OOCsCd O_rad_out Cd_H_out_doubleC 300-1500 2.74E+02 3.09 0.0 34.8 0 0 0 0 5 A. G. Vandeputte BMK/cbsb7 HO - -// Calculated by SSM CBS-QB3 calculations with 1d-HR for C3H6+OH surface -1038. R2H_S C_rad_out_2H Cs_H_out_H/(NonDeC/O) 300-2500 1.2E-16 7.98 0.0 25.00 0 0 0 0 3 SSM CBS-QB3 with 1-dHR -1039. R3H_SS C_rad_out_2H Cs_H_out_H/NonDeO 300-2500 4.15E-15 8.11 0.0 28.00 0 0 0 0 3 SSM CBS-QB3 with 1-dHR -1040. R4H_SSS C_rad_out_2H O_H_out 300-2500 8.6E-9 5.55 0.0 20.00 0 0 0 0 3 SSM CBS-QB3 with 1-dHR -1041. R2H_S C_rad_out_H/NonDeC Cs_H_out_H/NonDeO 300-2500 2.7E-20 9.13 0.0 26.00 0 0 0 0 3 SSM CBS-QB3 with 1-dHR -1042. R3H_SS C_rad_out_H/NonDeC O_H_out 300-2500 3.0E-10 6.82 0.0 25.00 0 0 0 0 3 SSM CBS-QB3 with 1-dHR -1043. R2H_S C_rad_out_H/NonDeO Cs_H_out_H/NonDeC 300-2500 4.7E-19 8.84 0.0 30.0 0 0 0 0 3 SSM CBS-QB3 with 1-dHR -1044. R3H_SS C_rad_out_H/NonDeO Cs_H_out_2H 300-2500 2E-15 8.23 0.0 34.1 0 0 0 0 3 SSM CBS-QB3 with 1-dHR -1045. R3H_SS O_rad_out Cs_H_out_H/NonDeC 300-2500 7E-8 6.3 0.0 19.75 0 0 0 0 3 SSM CBS-QB3 with 1-dHR -1046. R2H_S C_rad_out_H/NonDeC Cs_H_out_2H 300-2500 5E-18 8.38 0.0 27.05 0 0 0 0 3 SSM CBS-QB3 with 1-dHR - -1047. R2H_S C_rad_out_2H O_H_out 600-2000 2.56E4 2.36 0.0 33.1 0 0 0 0 3 Aaron BMK/cbsb7 with 1-dHR -1048. R4H_SSS C_rad_out_2H O_H_out 600-2000 9.79E3 1.91 0.0 16.7 0 0 0 0 3 Aaron BMK/cbsb7 with 1-dHR -1049. R4H_SSS O_rad_out Cs_H_out_2H 600-2000 1.68E4 2.06 0.0 18.5 0 0 0 0 3 Aaron BMK/cbsb7 with 1-dHR - -// Estimates from Enoch for alpha-hydroxyethyl surface, reference: doi 10.1002/kin.20844 -1050. R2H_S C_rad_out_H/NonDeO Cs_H_out_2H 1000-2000 1.47E+13 0.0 0.0 45.0 0 0 0 0 5 Estimates by ED -1051 R2H_S C_rad_out_H/NonDeC O_H_out 1000-2000 3E+13 0.0 0.0 37.0 0 0 0 0 5 Estimates by ED -1052 R2H_S C_rad_out_2H Cs_H_out_H/NonDeO 1000-2000 1.85E+13 -0.1 0.0 37.85 0 0 0 0 5 Estimates by ED -1053 R2H_S O_rad_out Cs_H_out_H/NonDeC 1000-2000 2.15E+14 -0.27 0.0 27.24 0 0 0 0 5 Estimates by ED \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/intra_H_migration/reactionAdjList.txt b/output/RMG_database/kinetics_groups/intra_H_migration/reactionAdjList.txt deleted file mode 100755 index 3e8ea355ad..0000000000 --- a/output/RMG_database/kinetics_groups/intra_H_migration/reactionAdjList.txt +++ /dev/null @@ -1,23 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan. 20, 2003 // -// // -////////////////////////////////////////////////////// - - -// f25 intra H migration - -RnH -> HR. - -thermo_consistence: -//forward -reverse(f25): revintraHabs - -Actions 1 -(1) BREAK_BOND {*2,S,*3} -(2) FORM_BOND {*1,S,*3} -(3) GAIN_RADICAL {*2,1} -(4) LOSE_RADICAL {*1,1} - diff --git a/output/RMG_database/kinetics_groups/intra_H_migration/tree.txt b/output/RMG_database/kinetics_groups/intra_H_migration/tree.txt deleted file mode 100755 index ed8ee8a695..0000000000 --- a/output/RMG_database/kinetics_groups/intra_H_migration/tree.txt +++ /dev/null @@ -1,302 +0,0 @@ -//Intramolecular H migration in radicals (S.R.,1/22/03) -//f25_intramolecular_HA -//No DD,DB,BD allowed, only BB,BBB,etc. -//C.D.W. 04/17/03: added C_rad_out_Cs2_cy3, Cs_H_out_Cs2_cy3, etc. -//for cases where the radical center or XH has "outside" ring attached to it, -//for e.g. cy3(.)CH3 --> cy3H-CH2(.) -//C.D.W. 04/20/03 : added R3H_SS_12cy3, etc. for cases where there is "inside" ring, -//for e.g. cyc(CH2CH(.)CH)CH3 --> cyc(CH3CH2CH)-CH2(.) -//1) Definition of "inside" ring : when at least two of the *1,*2,*4,..atoms -//are members of that ring. -//2) Added also R3H_SS_2Cd (for .C-Cd-CH case) -//3) Use "Others" : Others-[father] to catch the noncyclic cases (discussion with J.S. 04/17/03) -// AG Vandeputte "Others" caused systematic overcounting of the rate coefficient for this reaction family and was removed -// Linear case is just R3H_SS and the 'special' cases (ie rings) are its leaves -//4) The policy now is to add only nodes for which rate rules are available. -//Thus here I expanded R2H_S, R3H_SS, etc. but not for e.g. R2H_D, R3H_SD, etc. -//C.D.W. 05/28/03 : added R6H and R7H - -L1: RnH - L2: R2Hall - L3: R2H - L4: R2H_S - L5: R2H_S_cy3 - L5: R2H_S_cy4 - L5: R2H_S_cy5 -// L5: Others-R2H_S - L4: R2H_D - L4: R2H_B - L2: R3Hall - L3: R3HJ - L3: R3H - L4: R3H_SR - L5: R3H_SS - L6: R3H_SS_12cy3 - L6: R3H_SS_23cy3 - L6: R3H_SS_12cy4 - L6: R3H_SS_23cy4 - L6: R3H_SS_13cy4 - L6: R3H_SS_12cy5 - L6: R3H_SS_23cy5 - L6: R3H_SS_13cy5 - L6: R3H_SS_2Cd - L6: R3H_SS_OOCs - L6: R3H_SS_S -// L6: Others-R3H_SS - L5: R3H_SD - L5: R3H_ST - L5: R3H_SB - L4: R3H_MS - L5: R3H_DS - L5: R3H_TS - L5: R3H_BS - L4: R3H_BB - L2: R4Hall - L3: R4HJ_1 - L3: R4HJ_2 - L3: R4H - L4: R4H_RSR - L5: R4H_RSS - L6: R4H_SSS - L7: R4H_SSS_CsSCsCs - L7: R4H_SSS_CsCsSCs - L7: R4H_SSS_OOCsCs - L8: R4H_SSS_OO(Cs/Cs)Cs - L9: R4H_SSS_OO(Cs/Cs/Cs)Cs - L7: R4H_SSS_OOCsCd - L6: R4H_DSS - L6: R4H_TSS - L6: R4H_BSS - L5: R4H_RSD - L6: R4H_SSD - L6: R4H_DSD - L6: R4H_TSD - L6: R4H_BSD - L5: R4H_RST - L6: R4H_SST - L6: R4H_DST - L6: R4H_TST - L6: R4H_BST - L5: R4H_RSB - L6: R4H_SSB - L6: R4H_DSB - L6: R4H_TSB - L6: R4H_BSB - L4: R4H_SMS - L5: R4H_SDS - L5: R4H_STS - L5: R4H_SBS - L4: R4H_SBB - L4: R4H_BBS - L4: R4H_BBB - L2: R5Hall - L3: R5HJ_1 - L3: R5HJ_2 - L3: R5HJ_3 - L3: R5H - L4: R5H_RSSR - L5: R5H_SSSR - L6: R5H_SSSS - L7: R5H_CCCC_O - L7: R5H_SSSS_CsCsCsSCs - L7: R5H_SSSS_OOCCC - L8: R5H_SSSS_OO(Cs/Cs)Cs - L9: R5H_SSSS_OO(Cs/Cs/Cs)Cs - L8: R5H_SSSS_OOCs(Cs/Cs) - L9: R5H_SSSS_OOCs(Cs/Cs/Cs) - L6: R5H_SSSD - L6: R5H_SSST - L6: R5H_SSSB - L5: R5H_DSSR - L6: R5H_DSSS - L6: R5H_DSSD - L6: R5H_DSST - L6: R5H_DSSB - L5: R5H_TSSR - L6: R5H_TSSS - L6: R5H_TSSD - L6: R5H_TSST - L6: R5H_TSSB - L5: R5H_BSSR - L6: R5H_BSSS - L6: R5H_BSSD - L6: R5H_BSST - L6: R5H_BSSB - L4: R5H_RSMS - L5: R5H_SSMS - L5: R5H_DSMS - L5: R5H_TSMS - L5: R5H_BSMS - L4: R5H_SMSR - L5: R5H_SMSS - L5: R5H_SMSD - L5: R5H_SMST - L5: R5H_SMSB - L4: R5H_BBSR - L5: R5H_BBSS - L5: R5H_BBSD - L5: R5H_BBST - L5: R5H_BBSB - L4: R5H_RSBB - L5: R5H_SSBB - L5: R5H_DSBB - L5: R5H_TSBB - L5: R5H_BSBB - L4: R5H_SBBS - L4: R5H_SBBB - L4: R5H_BBBS - L4: R5H_BBBB - L2: R6Hall - L3: R6HJ_1 - L3: R6HJ_2 - L3: R6HJ_3 - L3: R6HJ_4 - L3: R6H - L4: R6H_RSSSR - L5: R6H_SSSSR - L6: R6H_SSSSS - L7: R6H_SSSSS_OO - L8: R6H_SSSSS_OO(Cs/Cs)Cs - L9: R6H_SSSSS_OO(Cs/Cs)C(Cs/Cs) - L8: R6H_SSSSS_OOCCC(Cs/Cs) - L9: R6H_SSSSS_OO(Cs/Cs)C(Cs/Cs) - L7: R6H_SSSSS_bicyclopentane - L6: R6H_SSSSD - L6: R6H_SSSST - L6: R6H_SSSSB - L5: R6H_DSSSR - L6: R6H_DSSSS - L6: R6H_DSSSD - L6: R6H_DSSST - L6: R6H_DSSSB - L5: R6H_TSSSR - L6: R6H_TSSSS - L6: R6H_TSSSD - L6: R6H_TSSST - L6: R6H_TSSSB - L5: R6H_BSSSR - L6: R6H_BSSSS - L6: R6H_BSSSD - L6: R6H_BSSST - L6: R6H_BSSSB - L4: R6H_RSSMS - L4: R6H_RSMSR - L4: R6H_SMSSR - L4: R6H_SMSMS - L4: R6H_BBSRS - L4: R6H_BBSSM - L4: R6H_BBSBB - L4: R6H_SBBSR - L4: R6H_RSBBS - L4: R6H_BBBSR - L4: R6H_SBBBS - L4: R6H_RSBBB - L4: R6H_SBBBB - L4: R6H_BBBBS - L4: R6H_BBBBB - L2: R7Hall - L3: R7HJ_1 - L3: R7HJ_2 - L3: R7HJ_3 - L3: R7HJ_4 - L3: R7HJ_5 - L3: R7H - L4: R7H_OOCs4 - L5:R7H_OOCCCC(Cs/Cs) -L1: Y_rad_out - L2: C_rad_out_single - L3: C_rad_out_2H - L3: C_rad_out_1H - L4: C_rad_out_H/NonDeC - L4: C_rad_out_H/NonDeO - L4: C_rad_out_H/NonDeS - L4: C_rad_out_H/OneDe - L3: C_rad_out_noH - L4: C_rad_out_NonDe - L5: C_rad_out_Cs2 - L6: C_rad_out_Cs2_cy3 - L6: C_rad_out_Cs2_cy4 - L6: C_rad_out_Cs2_cy5 -// L6: Others-C_rad_out_Cs2 - L5: C_rad_out_NDMustO - L4: C_rad_out_OneDe - L5: C_rad_out_OneDe/Cs - L5: C_rad_out_OneDe/O - L5: C_rad_out_OneDe/S - L4: C_rad_out_TwoDe - L2: Cd_rad_out_double - L2: Cd_rad_out_single - L3: Cd_rad_out_singleH - L3: Cd_rad_out_singleNd - L3: Cd_rad_out_singleDe - L2: Ct_rad_out - L2: O_rad_out - L2: Cb_rad_out - L2: CO_rad_out - L2: C=S_rad_out - L2: S_rad_out - -L1: XH_out - L2: Cs_H_out - L3: Cs_H_out_OOH - L4: Cs_H_out_OOH/Cs - L3: Cs_H_out_2H - L3: Cs_H_out_1H - L4: Cs_H_out_H/NonDeC - L5: Cs_H_out_H/(NonDeC/Cs) - L6: Cs_H_out_H/(NonDeC/Cs/Cs) - L7: Cs_H_out_H/(NonDeC/Cs/Cs/Cs) - L5: Cs_H_out_H/(NonDeC/O) -// The following nodes were added by Sandeep on Feb 01 2006. -// He commented them out on Feb 13 2006. -// On 6 April 2010, Josh, Mike and Richard -// spent a while trying to put these nodes in the right place in the tree -// but it is not clear what in fact they were meant to mean because many -// of the definitions overlap. We gave up, and they remain commented out: -// L5: Cs_H_out_H/(NonDeC/Os/Os) -// L5: Cs_H_out_H/(CCCOOH) -// L5: Cs_H_out_H/((C/C)CCOOH) -// L5: Cs_H_out_H/(CCOOH) -// L5: Cs_H_out_H/((C/C)COOH) -// L5: Cs_H_out_H/(COOH) -// L5: Cs_H_out_H/((C/C)OOH) - L4: Cs_H_out_H/NonDeO - L5: Cs_H_out_OOH/H - L4: Cs_H_out_H/NonDeS - L4: Cs_H_out_H/OneDe - L5: Cs_H_out_H/Cd - L5: Cs_H_out_H/Ct - L5: Cs_H_out_H/CO - L5: Cs_H_out_H/CS - L3: Cs_H_out_noH - L4: Cs_H_out_NonDe - L5: Cs_H_out_Cs2 - L6: Cs_H_out_Cs2_cy3 - L6: Cs_H_out_Cs2_cy4 - L6: Cs_H_out_Cs2_cy5 -// L6: Others-Cs_H_out_Cs2 - L5: Cs_H_out_NDMustO - L4: Cs_H_out_OneDe - L5: Cs_H_out_Cd - L5: Cs_H_out_Ct - L5: Cs_H_out_CO - L5: Cs_H_out_CS - L4: Cs_H_out_TwoDe - L5: Cs_H_out_CdCd - L5: Cs_H_out_CdCt - L5: Cs_H_out_CtCt - L2: Cd_H_out_double - L3: Cd_H_out_doubleC - L3: Cd_H_out_doubleO - L2: Cd_H_out_single - L3: Cd_H_out_singleH - L3: Cd_H_out_singleNd - L3: Cd_H_out_singleDe - L2: CO_H_out - L2: O_H_out - L2: Ct_H_out - L2: Cb_H_out - L2: S_H_out - - - diff --git a/output/RMG_database/kinetics_groups/intra_OH_migration/dictionary.txt b/output/RMG_database/kinetics_groups/intra_OH_migration/dictionary.txt deleted file mode 100755 index 2b4bd4dd6a..0000000000 --- a/output/RMG_database/kinetics_groups/intra_OH_migration/dictionary.txt +++ /dev/null @@ -1,217 +0,0 @@ -//intra-molecular hydroxyl migration -//QOOH --> HOQOH -//C.D.W., S.R. (1/21/03) -//f33_intra_hydroxyl_migration - -//JS, correct typo: from "2 {Cd,Ct,Cb,O} 0 {1,S}" to "2 {Cd,Ct,Cb,CO} 0 {1,S}" in CdsingleDe_rad_out - -RnOOH -Union {ROOH, R2OOH, R3OOH, R4OOH} - -ROOH -1 *1 {Cd,Cs,Sid,Sis} 1 {2,S} -2 *2 O 0 {1,S}, {3,S} -3 *3 O 0 {2,S}, {4,S} -4 H 0 {3,S} - -R2OOH -1 *1 {Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,S} -3 *2 O 0 {2,S}, {4,S} -4 *3 O 0 {3,S}, {5,S} -5 H 0 {4,S} - -R2OOH_S -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 *2 O 0 {2,S}, {4,S} -4 *3 O 0 {3,S}, {5,S} -5 H 0 {4,S} - -R2OOH_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *2 O 0 {2,S}, {4,S} -4 *3 O 0 {3,S}, {5,S} -5 H 0 {4,S} - -R3OOH -1 *1 {Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,{S,D}} -3 {Cd,Cs,Sid,Sis} 0 {2,{S,D}}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6 H 0 {5,S} - -R3OOH_SS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {Cd,Cs} 0 {2,S}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6 H 0 {5,S} - -R3OOH_SD -1 *1 {Cd,Cs} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6. H 0 {5,S} - -R3OOH_DS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {Cd,Cs} 0 {2,S}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6 H 0 {5,S} - -R4OOH -1 *1 {Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,{S,D}} -3 {Cd,Cs,Sid,Sis} 0 {2,{S,D}}, {4,{S,D}} -4 {Cd,Cs,Sid,Sis} 0 {3,{S,D}}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_SSS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {Cd,Cs} 0 {2,S}, {4,S} -4 {Cd,Cs} 0 {3,S}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_SSD -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_SDS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 {Cd,Cs} 0 {3,S}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_DSS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {Cd,Cs} 0 {2,S}, {4,S} -4 {Cd,Cs} 0 {3,S}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_DSD -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -Y_rad_out -1 *1 {Cd,Cs,Sid,Sis} 1 - -C_rad_out_single -1 *1 C 1 {2,S}, {3,S} -2 R 0 {1,S} -3 R 0 {1,S} - -C_rad_out_2H -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -C_rad_out_1H -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 {R!H} 0 {1,S} - -C_rad_out_H/NonDeC -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 Cs 0 {1,S} - -C_rad_out_H/NonDeO -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 O 0 {1,S} - -C_rad_out_H/OneDe -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -C_rad_out_noH -1 *1 C 1 {2,S}, {3,S} -2 {R!H} 0 {1,S} -3 {R!H} 0 {1,S} - -C_rad_out_NonDe -1 *1 C 1 {2,S}, {3,S} -2 {Cs,O} 0 {1,S} -3 {Cs,O} 0 {1,S} - -C_rad_out_Cs2 -1 *1 C 1 {2,S}, {3,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} - -C_rad_out_NDMustO -1 *1 C 1 {2,S}, {3,S} -2 O 0 {1,S} -3 {Cs,O} 0 {1,S} - -C_rad_out_OneDe -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cs,O} 0 {1,S} - -C_rad_out_OneDe/Cs -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} - -C_rad_out_OneDe/O -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 O 0 {1,S} - -C_rad_out_TwoDe -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_rad_out -1 *1 Cd 1 {2,D} -2 Cd 0 {1,D} - -Cdsingle_rad_out -1 *1 Cd 1 {2,S} -2 R 0 {1,S} - -CdsingleH_rad_out -1 *1 Cd 1 {2,S} -2 H 0 {1,S} - -CdsingleND_rad_out -1 *1 Cd 1 {2,S} -2 {Cs,O} 0 {1,S} - -CdsingleDe_rad_out -1 *1 Cd 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - - diff --git a/output/RMG_database/kinetics_groups/intra_OH_migration/rateLibrary.txt b/output/RMG_database/kinetics_groups/intra_OH_migration/rateLibrary.txt deleted file mode 100755 index 751a96cb34..0000000000 --- a/output/RMG_database/kinetics_groups/intra_OH_migration/rateLibrary.txt +++ /dev/null @@ -1,18 +0,0 @@ -// rate library for f33: intra hydroxyl migration -// Originally from rate_library_4.txt, Cath, 03/07/28 - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -//f33_intra_hydroxyl_migration -// RnOOH Y_rad_out Temp. A n a E0 DA Dn Da DE0 Rank Comments -826. RnOOH Y_rad_out 300-1500 1E+10 0 0 15 0 0 0 0 0 -827. R2OOH_S C_rad_out_2H 300-1500 3.39E+11 0 0 26.9 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. -828. R2OOH_S C_rad_out_H/NonDeC 300-1500 2.69E+11 0 0 24.3 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. -829. R3OOH_SS C_rad_out_2H 300-1500 4.47E+10 0 0 27.8 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. -830. R3OOH_SS C_rad_out_H/NonDeC 300-1500 2.88E+10 0 0 26.6 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. -831. R3OOH_SS C_rad_out_Cs2 300-1500 4.79E+10 0 0 26.3 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. -832. R4OOH_SSS C_rad_out_2H 300-1500 1.12E+10 0 0 16.3 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. -833. R4OOH_SSS C_rad_out_H/NonDeC 300-1500 1.00E+10 0 0 15.6 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. -834. R4OOH_SSS C_rad_out_Cs2 300-1500 8.71E+09 0 0 14.9 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. - \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/intra_OH_migration/reactionAdjList.txt b/output/RMG_database/kinetics_groups/intra_OH_migration/reactionAdjList.txt deleted file mode 100755 index a289a01844..0000000000 --- a/output/RMG_database/kinetics_groups/intra_OH_migration/reactionAdjList.txt +++ /dev/null @@ -1,22 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan. 20, 2003 // -// // -////////////////////////////////////////////////////// - - -// f33 intra OH migration - -RnOOH -> HORO. - -forward -reverse: none - -Actions 1 -(1) BREAK_BOND {*2,S,*3} -(2) FORM_BOND {*1,S,*3} -(3) GAIN_RADICAL {*2,1} -(4) LOSE_RADICAL {*1,1} - diff --git a/output/RMG_database/kinetics_groups/intra_OH_migration/tree.txt b/output/RMG_database/kinetics_groups/intra_OH_migration/tree.txt deleted file mode 100755 index 9c08266d30..0000000000 --- a/output/RMG_database/kinetics_groups/intra_OH_migration/tree.txt +++ /dev/null @@ -1,44 +0,0 @@ -//intra-molecular hydroxyl migration -//QOOH --> HOQOH -//C.D.W., S.R. (1/21/03) - -// JS, correct typo: from "cdsingleND_rad_out" to "CdsingleND_rad_out", since name is case-sensitive - -// f33_intra_hydroxyl_migration - -L1: RnOOH - L2: ROOH - L2: R2OOH - L3: R2OOH_S - L3: R2OOH_D - L2: R3OOH - L3: R3OOH_SS - L3: R3OOH_SD - L3: R3OOH_DS - L2: R4OOH - L3: R4OOH_SSS - L3: R4OOH_SSD - L3: R4OOH_SDS - L3: R4OOH_DSS - L3: R4OOH_DSD -L1: Y_rad_out - L2: C_rad_out_single - L3: C_rad_out_2H - L3: C_rad_out_1H - L4: C_rad_out_H/NonDeC - L4: C_rad_out_H/NonDeO - L4: C_rad_out_H/OneDe - L3: C_rad_out_noH - L4: C_rad_out_NonDe - L5: C_rad_out_Cs2 - L5: C_rad_out_NDMustO - L4: C_rad_out_OneDe - L5: C_rad_out_OneDe/Cs - L5: C_rad_out_OneDe/O - L4: C_rad_out_TwoDe - L2: Cd_rad_out - L2: Cdsingle_rad_out - L3: CdsingleH_rad_out - L3: CdsingleND_rad_out - L3: CdsingleDe_rad_out - diff --git a/output/RMG_database/kinetics_groups/intra_substitutionCS_cyclization/dictionary.txt b/output/RMG_database/kinetics_groups/intra_substitutionCS_cyclization/dictionary.txt deleted file mode 100644 index 09a2a54f5b..0000000000 --- a/output/RMG_database/kinetics_groups/intra_substitutionCS_cyclization/dictionary.txt +++ /dev/null @@ -1,993 +0,0 @@ -XSYJ -Union {XSR3J, XSR4J, XSR5J, XSR6J, XSR7J} - -XSR3J -1 *3 {R!H} 1 {2,{S,D}} -2 *4 {R!H} 0 {1,{S,D}} {3,S} -3 *1 Cs 0 {2,S} {4,S} -4 *2 Ss 0 {3,S} - -XSR3J_S -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *1 Cs 0 {2,S} {4,S} -4 *2 Ss 0 {3,S} - -XSR3J_D -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D} {3,S} -3 *1 Cs 0 {2,S} {4,S} -4 *2 Ss 0 {3,S} - -XSR4J -1 *3 {R!H} 1 {2,{S,D}} -2 *5 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *4 {R!H} 0 {2,{S,D}}, {4,S} -4 *1 Cs 0 {3,S} {5,S} -5 *2 Ss 0 {4,S} - -XSR4J_SS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,S} -3 *4 {R!H} 0 {2,S}, {4,S} -4 *1 Cs 0 {3,S} {5,S} -5 *2 Ss 0 {4,S} - -XSR4J_SD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,S} -3 *4 {R!H} 0 {2,S}, {4,S} -4 *1 Cs 0 {3,S} {5,S} -5 *2 Ss 0 {4,S} - -XSR4J_DS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,D} -3 *4 {R!H} 0 {2,D}, {4,S} -4 *1 Cs 0 {3,S} {5,S} -5 *2 Ss 0 {4,S} - -XSR4J_DD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,D} -3 *4 {R!H} 0 {2,D}, {4,S} -4 *1 Cs 0 {3,S} {5,S} -5 *2 Ss 0 {4,S} - -XSR5J -1 *3 {R!H} 1 {2,{S,D}} -2 *5 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *6 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *4 {R!H} 0 {3,{S,D}}, {5,S} -5 *1 Cs 0 {4,S} {6,S} -6 *2 Ss 0 {5,S} - -XSR5J_SSS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *4 {R!H} 0 {3,S}, {5,S} -5 *1 Cs 0 {4,S} {6,S} -6 *2 Ss 0 {5,S} - -XSR5J_SSD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *4 {R!H} 0 {3,S}, {5,S} -5 *1 Cs 0 {4,S} {6,S} -6 *2 Ss 0 {5,S} - -XSR5J_SDS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,D} -3 *6 {R!H} 0 {2,D}, {4,S} -4 *4 {R!H} 0 {3,S}, {5,S} -5 *1 Cs 0 {4,S} {6,S} -6 *2 Ss 0 {5,S} - -XSR5J_DSS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,D} -4 *4 {R!H} 0 {3,D}, {5,S} -5 *1 Cs 0 {4,S} {6,S} -6 *2 Ss 0 {5,S} - -XSR5J_SDD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,D} -3 *6 {R!H} 0 {2,D}, {4,S} -4 *4 {R!H} 0 {3,S}, {5,S} -5 *1 Cs 0 {4,S} {6,S} -6 *2 Ss 0 {5,S} - -XSR5J_DSD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,D} -4 *4 {R!H} 0 {3,D}, {5,S} -5 *1 Cs 0 {4,S} {6,S} -6 *2 Ss 0 {5,S} - -XSR5J_DDS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,D} -3 *6 {R!H} 0 {2,D}, {4,D} -4 *4 {R!H} 0 {3,D}, {5,S} -5 *1 Cs 0 {4,S} {6,S} -6 *2 Ss 0 {5,S} - -XSR5J_DDD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,D} -3 *6 {R!H} 0 {2,D}, {4,D} -4 *4 {R!H} 0 {3,D}, {5,S} -5 *1 Cs 0 {4,S} {6,S} -6 *2 Ss 0 {5,S} - -XSR6J -1 *3 {R!H} 1 {2,{S,D}} -2 *5 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *6 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *7 {R!H} 0 {3,{S,D}}, {5,{S,D}} -5 *4 {R!H} 0 {4,{S,D}}, {6,S} -6 *1 Cs 0 {5,S} {7,S} -7 *2 Ss 0 {6,S} - -XSR7J -1 *3 {R!H} 1 {2,{S,D}} -2 *5 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *6 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *7 {R!H} 0 {3,{S,D}}, {5,{S,D}} -5 *8 {R!H} 0 {4,{S,D}}, {6,{S,D}} -6 *4 {R!H} 0 {5,{S,D}}, {7,S} -7 *1 Cs 0 {6,S} {8,S} -8 *2 Ss 0 {7,S} - -YJ -union {CJ, SJ, CJ-3, SJ-3} - -// Need to define CJ-3 en SJ-3 because ring is to small to define *4 and *5 which are equal - -// -// RJ Tree for 4 and more membered rings -// - -CJ -Union {CsJ, CdsJ, CdsJ-2} - -CsJ -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-Cs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-CsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-CsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-Cd -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CdSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-CdOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-CdOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-Ss -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-SsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-SsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ -1 *3 C 1 {2,D}, {3,S} -2 *5 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-H -1 *3 C 1 {2,D}, {3,S} -2 *5 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-Cs -1 *3 C 1 {2,D}, {3,S} -2 *5 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-Cd -1 *3 C 1 {2,D}, {3,S} -2 *5 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-Ss -1 *3 C 1 {2,D}, {3,S} -2 *5 C 0 {1,D} -3 Ss 0 {1,S} - -CdsJ-2 -1 *3 C 1 {2,D}, {3,S} -2 R 0 {1,D} -3 *5 R 0 {1,S} - -CdsJ_C-2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *5 R 0 {1,S} - -CdsJ_C-Cs2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *5 Cs 0 {1,S} - -CdsJ_C-Cd2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *5 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ_C-Ss2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *5 Ss 0 {1,S} - -CdsJ_S-2 -1 *3 C 1 {2,D}, {3,S} -2 S 0 {1,D} -3 *5 R 0 {1,S} - -SJ -1 *3 Ss 1 {2,S} -2 *5 R 0 {1,S} - -SsJ -1 *3 Ss 1 {2,S} -2 *5 R 0 {1,S} - -SsJ-Cs -1 *3 Ss 1 {2,S} -2 *5 Cs 0 {1,S} - -SsJ-Ss -1 *3 Ss 1 {2,S} -2 *5 Ss 0 {1,S} - -SsJ-OneDe -1 *3 Ss 1 {2,S} -2 *5 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-Cd -1 *3 Ss 1 {2,S} -2 *5 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -// 3-membered rings have to dealt with seperately as *4 = *5 - -CJ-3 -Union {CsJ-3, CdsJ-3, CdsJ-3-2} - -CsJ-3 -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-Cs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-CsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-3-Cd -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-CdOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-3-Ss -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-SsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ-3 -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-3-H -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-3-Cs -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-3-Cd -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-3-Ss -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Ss 0 {1,S} - -CdsJ-3-2 -1 *3 C 1 {2,D}, {3,S} -2 R 0 {1,D} -3 *4 R 0 {1,S} - -CdsJ_C-3-2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 R 0 {1,S} - -CdsJ_C-3-Cs2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Cs 0 {1,S} - -CdsJ_C-3-Cd2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ_C-3-Ss2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Ss 0 {1,S} - -CdsJ_S-3-2 -1 *3 C 1 {2,D}, {3,S} -2 S 0 {1,D} -3 *4 R 0 {1,S} - -SJ-3 -1 *3 Ss 1 {2,S} -2 *4 R 0 {1,S} - -SsJ-3 -1 *3 Ss 1 {2,S} -2 *4 R 0 {1,S} - -SsJ-3-Cs -1 *3 Ss 1 {2,S} -2 *4 Cs 0 {1,S} - -SsJ-3-Ss -1 *3 Ss 1 {2,S} -2 *4 Ss 0 {1,S} - -SsJ-3-OneDe -1 *3 Ss 1 {2,S} -2 *4 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-3-Cd -1 *3 Ss 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - - -// -// -// - -// always S bond with Ss implied in group - - -C-RRR -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -C-RRC -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 C 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -C-(NonDe)C -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 C 0 {1,S} -3 {H,Cs,Os,Ss} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -C-HHC -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 C 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C-CsHC -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 C 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -C-CsCsC -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 C 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C-(OneDe)C -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 C 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -C-(TwoDe)C -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 C 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -C-RRS -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 S 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -C-(NonDe)S -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 S 0 {1,S} -3 {H,Cs,Os,Ss} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -C-HHS -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 S 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C-CsHS -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 S 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -C-CsCsS -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 S 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C-(OneDe)S -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 S 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -C-(TwoDe)S -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 S 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -S-R -1 *2 S 0 {2,S} -2 R 0 {1,S} - -S-H -1 *2 S 0 {2,S} -2 H 0 {1,S} - -S-Cs -1 *2 S 0 {2,S} -2 Cs 0 {1,S} - -S-Ss -1 *2 S 0 {2,S} -2 Ss 0 {1,S} \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/intra_substitutionCS_cyclization/forbiddenGroups.txt b/output/RMG_database/kinetics_groups/intra_substitutionCS_cyclization/forbiddenGroups.txt deleted file mode 100644 index 04bf150b79..0000000000 --- a/output/RMG_database/kinetics_groups/intra_substitutionCS_cyclization/forbiddenGroups.txt +++ /dev/null @@ -1,3 +0,0 @@ -1and3_bound -1 *3 R!H 1 {2,{S,D}} -2 *1 Cs 0 {1,{S,D}} diff --git a/output/RMG_database/kinetics_groups/intra_substitutionCS_cyclization/rateLibrary.txt b/output/RMG_database/kinetics_groups/intra_substitutionCS_cyclization/rateLibrary.txt deleted file mode 100644 index fae996e48c..0000000000 --- a/output/RMG_database/kinetics_groups/intra_substitutionCS_cyclization/rateLibrary.txt +++ /dev/null @@ -1,6 +0,0 @@ - -Arrhenius_EP - -// CBS-QB3 calculations - -1 XSYJ YJ C-RRR S-R 300-1500 1.0E+12 0 0 50.0 0 0 0 0 0 Aaron Vandeputte CBS-QB3 HO diff --git a/output/RMG_database/kinetics_groups/intra_substitutionCS_cyclization/reactionAdjList.txt b/output/RMG_database/kinetics_groups/intra_substitutionCS_cyclization/reactionAdjList.txt deleted file mode 100644 index 39c0e64fe6..0000000000 --- a/output/RMG_database/kinetics_groups/intra_substitutionCS_cyclization/reactionAdjList.txt +++ /dev/null @@ -1,22 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Aaron Vandeputte 11 aug 2009 // -// // -////////////////////////////////////////////////////// - - -// f01 Intramolecular substitution on S - -XSYJ -> SY + XJ - -forward -reverse(f26): Ring_Opening_bySradical - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) FORM_BOND {*1,S,*3} -(3) GAIN_RADICAL {*2,1} -(4) LOSE_RADICAL {*3,1} - diff --git a/output/RMG_database/kinetics_groups/intra_substitutionCS_cyclization/tree.txt b/output/RMG_database/kinetics_groups/intra_substitutionCS_cyclization/tree.txt deleted file mode 100644 index 93a73ba85e..0000000000 --- a/output/RMG_database/kinetics_groups/intra_substitutionCS_cyclization/tree.txt +++ /dev/null @@ -1,185 +0,0 @@ -//Intramolecular substitution reaction - -L1: XSYJ - L2: XSR3J - L3: XSR3J_S - L3: XSR3J_D - L2: XSR4J - L3: XSR4J_SS - L3: XSR4J_SD - L3: XSR4J_DS - L3: XSR4J_DD - L2: XSR5J - L3: XSR5J_SSS - L3: XSR5J_SSD - L3: XSR5J_SDS - L3: XSR5J_DSS - L3: XSR5J_DDS - L3: XSR5J_DSD - L3: XSR5J_SDD - L3: XSR5J_DDD - L2: XSR6J - L2: XSR7J - -// Radical tree Radical - First group is ring group + Second and Third are the other two groups neighboring the radical centre -// Importance of defining the group that is part of the ring is not yet clear - -L1: YJ - L2: CJ - L3: CsJ - L4: CsJ-Cs - L5: CsJ-CsHH - L5: CsJ-CsCsH - L5: CsJ-CsCsCs - L5: CsJ-CsSsH - L5: CsJ-CsSsSs - L5: CsJ-CsCsSs - L5: CsJ-CsOneDe - L6: CsJ-CsOneDeH - L7: CsJ-CsCdH - L6: CsJ-CsOneDeCs - L7: CsJ-CsCdCs - L6: CsJ-CsOneDeSs - L7: CsJ-CsCdSs - L5: CsJ-CsTwoDe - L4: CsJ-Cd - L5: CsJ-CdHH - L5: CsJ-CdCsH - L5: CsJ-CdCsCs - L5: CsJ-CdSsH - L5: CsJ-CdSsSs - L5: CsJ-CdCsSs - L5: CsJ-CdOneDe - L6: CsJ-CdOneDeH - L7: CsJ-CdCdH - L6: CsJ-CdOneDeCs - L7: CsJ-CdCdCs - L6: CsJ-CdOneDeSs - L7: CsJ-CdCdSs - L5: CsJ-CdTwoDe - L4: CsJ-Ss - L5: CsJ-SsHH - L5: CsJ-SsCsH - L5: CsJ-SsCsCs - L5: CsJ-SsSsH - L5: CsJ-SsSsSs - L5: CsJ-SsCsSs - L5: CsJ-SsOneDe - L6: CsJ-SsOneDeH - L7: CsJ-SsCdH - L6: CsJ-SsOneDeCs - L7: CsJ-SsCdCs - L6: CsJ-SsOneDeSs - L7: CsJ-SsCdSs - L3: CdsJ - L4: CdsJ-H - L4: CdsJ-Cs - L4: CdsJ-Cd - L4: CdsJ-Ss - -// -2 : Double bound not part of ring - - L3: CdsJ-2 - L4: CdsJ_C-2 - L5: CdsJ_C-Cs2 - L5: CdsJ_C-Cd2 - L5: CdsJ_C-Ss2 - L4: CdsJ_S-2 - L2: SJ - L3: SsJ - L4: SsJ-Cs - L4: SsJ-Ss - L4: SsJ-OneDe - L5: SsJ-Cd - - - L2: CJ-3 - L3: CsJ-3 - L4: CsJ-3-Cs - L5: CsJ-3-CsHH - L5: CsJ-3-CsCsH - L5: CsJ-3-CsCsCs - L5: CsJ-3-CsSsH - L5: CsJ-3-CsSsSs - L5: CsJ-3-CsCsSs - L5: CsJ-3-CsOneDe - L6: CsJ-3-CsOneDeH - L7: CsJ-3-CsCdH - L6: CsJ-3-CsOneDeCs - L7: CsJ-3-CsCdCs - L6: CsJ-3-CsOneDeSs - L7: CsJ-3-CsCdSs - L5: CsJ-3-CsTwoDe - L4: CsJ-3-Cd - L5: CsJ-3-CdHH - L5: CsJ-3-CdCsH - L5: CsJ-3-CdCsCs - L5: CsJ-3-CdSsH - L5: CsJ-3-CdSsSs - L5: CsJ-3-CdCsSs - L5: CsJ-3-CdOneDe - L6: CsJ-3-CdOneDeH - L7: CsJ-3-CdCdH - L6: CsJ-3-CdOneDeCs - L7: CsJ-3-CdCdCs - L6: CsJ-3-CdOneDeSs - L7: CsJ-3-CdCdSs - L5: CsJ-3-CdTwoDe - L4: CsJ-3-Ss - L5: CsJ-3-SsHH - L5: CsJ-3-SsCsH - L5: CsJ-3-SsCsCs - L5: CsJ-3-SsSsH - L5: CsJ-3-SsSsSs - L5: CsJ-3-SsCsSs - L5: CsJ-3-SsOneDe - L6: CsJ-3-SsOneDeH - L7: CsJ-3-SsCdH - L6: CsJ-3-SsOneDeCs - L7: CsJ-3-SsCdCs - L6: CsJ-3-SsOneDeSs - L7: CsJ-3-SsCdSs - L3: CdsJ-3 - L4: CdsJ-3-H - L4: CdsJ-3-Cs - L4: CdsJ-3-Cd - L4: CdsJ-3-Ss - -// -2 : Double bound not part of ring - - L3: CdsJ-3-2 - L3: CdsJ_C-3-2 - L4: CdsJ_C-3-Cs2 - L4: CdsJ_C-3-Cd2 - L4: CdsJ_C-3-Ss2 - L3: CdsJ_S-3-2 - L2: SJ-3 - L3: SsJ-3 - L4: SsJ-3-Cs - L4: SsJ-3-Ss - L4: SsJ-3-OneDe - L5: SsJ-3-Cd - - - -L1: C-RRR - L2: C-RRC - L3: C-(NonDe)C - L4: C-HHC - L4: C-CsHC - L4: C-CsCsC - L3: C-(OneDe)C - L3: C-(TwoDe)C - L2: C-RRS - L3: C-(NonDe)S - L4: C-HHS - L4: C-CsHS - L4: C-CsCsS - L3: C-(OneDe)S - L3: C-(TwoDe)S - - -L1: S-R - L2: S-H - L2: S-Cs - L2: S-Ss diff --git a/output/RMG_database/kinetics_groups/intra_substitutionCS_isomerization/dictionary.txt b/output/RMG_database/kinetics_groups/intra_substitutionCS_isomerization/dictionary.txt deleted file mode 100644 index 494570c658..0000000000 --- a/output/RMG_database/kinetics_groups/intra_substitutionCS_isomerization/dictionary.txt +++ /dev/null @@ -1,709 +0,0 @@ -XSYJ -Union {XSR3J, XSR4J, XSR5J, XSR6J, XSR7J} - -XSR3J -1 *3 {R!H} 1 {2,{S,D}} -2 *2 Ss 0 {1,{S,D}} {3,S} -3 *1 C 0 {2,S} - -XSR3J_S -1 *3 {R!H} 1 {2,S} -2 *2 Ss 0 {1,S} {3,S} -3 *1 C 0 {2,S} - -XSR4J -1 *3 {R!H} 1 {2,{S,D}} -2 *4 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *2 Ss 0 {2,{S,D}}, {4,S} -4 *1 C 0 {3,S} - -XSR4J_SS -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 Ss 0 {2,S}, {4,S} -4 *1 C 0 {3,S} - -XSR4J_SD -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,S} -3 *2 Ss 0 {2,S}, {4,S} -4 *1 C 0 {3,S} - -XSR5J -1 *3 {R!H} 1 {2,{S,D}} -2 *4 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *5 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *2 Ss 0 {3,{S,D}}, {5,S} -5 *1 C 0 {4,S} - -XSR5J_SSS -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 Ss 0 {3,S}, {5,S} -5 *1 C 0 {4,S} - -XSR5J_SSD -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 Ss 0 {3,S}, {5,S} -5 *1 C 0 {4,S} - -XSR5J_SDS -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,D} -3 *5 {R!H} 0 {2,D}, {4,S} -4 *2 Ss 0 {3,S}, {5,S} -5 *1 C 0 {4,S} - -XSR5J_SDD -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,D} -3 *5 {R!H} 0 {2,D}, {4,S} -4 *2 Ss 0 {3,S}, {5,S} -5 *1 C 0 {4,S} - -XSR6J -1 *3 {R!H} 1 {2,{S,D}} -2 *4 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *5 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *6 {R!H} 0 {3,{S,D}}, {5,{S,D}} -5 *2 Ss 0 {4,{S,D}}, {6,S} -6 *1 C 0 {5,S} - -XSR7J -1 *3 {R!H} 1 {2,{S,D}} -2 *4 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *5 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *6 {R!H} 0 {3,{S,D}}, {5,{S,D}} -5 *7 {R!H} 0 {4,{S,D}}, {6,{S,D}} -6 *2 Ss 0 {5,{S,D}}, {7,S} -7 *1 C 0 {6,S} - -YJ -union {CJ, SJ, CJ-3, SJ-3} - -// Need to define CJ-3 en SJ-3 because ring is to small to define *2 and *4 which are equal - -// -// RJ Tree for 4 and more membered rings -// - -CJ -Union {CsJ, CdsJ, CdsJ-2} - -CsJ -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-Cs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-CsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-CsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-Cd -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CdSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-CdOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-CdOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-Ss -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-SsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-SsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-H -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-Cs -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-Cd -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-Ss -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Ss 0 {1,S} - -CdsJ-2 -1 *3 C 1 {2,D}, {3,S} -2 R 0 {1,D} -3 *4 R 0 {1,S} - -CdsJ_C-2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 R 0 {1,S} - -CdsJ_C-Cs2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Cs 0 {1,S} - -CdsJ_C-Cd2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ_C-Ss2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Ss 0 {1,S} - -CdsJ_S-2 -1 *3 C 1 {2,D}, {3,S} -2 S 0 {1,D} -3 *4 R 0 {1,S} - -SJ -1 *3 Ss 1 {2,S} -2 *4 R 0 {1,S} - -SsJ -1 *3 Ss 1 {2,S} -2 *4 R 0 {1,S} - -SsJ-Cs -1 *3 Ss 1 {2,S} -2 *4 Cs 0 {1,S} - -SsJ-Ss -1 *3 Ss 1 {2,S} -2 *4 Ss 0 {1,S} - -SsJ-OneDe -1 *3 Ss 1 {2,S} -2 *4 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-Cd -1 *3 Ss 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -// 3-membered rings have to dealt with seperately as *2 = *4 - -CJ-3 -Union {CsJ-3, CdsJ-3} - -CsJ-3 -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-SsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ-3 -1 *3 C 1 {2,D}, {3,S} -2 R 0 {1,D} -3 *2 Ss 0 {1,S} - -SJ-3 -1 *3 Ss 1 {2,S} -2 *2 Ss 0 {1,S} - -// -// R-H Tree -// - -C -Union {C-RRR, Cds-R, Ct} - -C-RRR -1 *1 C 0 {2,S} {3,S} {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -C-NonDe -1 *1 C 0 {2,S} {3,S} {4,S} -2 {H,Cs,Os,Ss} 0 {1,S} -3 {H,Cs,Os,Ss} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -C-HHH -1 *1 C 0 {2,S} {3,S} {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C-CsHH -1 *1 C 0 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C-CsCsH -1 *1 C 0 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -C-CsCsCs -1 *1 C 0 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C-OneS -1 *1 C 0 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 {H,Cs,Os} 0 {1,S} -4 {H,Cs,Os} 0 {1,S} - -C-SsHH -1 *1 C 0 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C-SsCsH -1 *1 C 0 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -C-SsCsCs -1 *1 C 0 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C-OneDe -1 *1 C 0 {2,S} {3,S} {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -C-CdHH -1 *1 C 0 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C-CdCsH -1 *1 C 0 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -C-CdCsCs -1 *1 C 0 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C-CdSsH -1 *1 C 0 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -C-CdSsCs -1 *1 C 0 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -C-CdSsSs -1 *1 C 0 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -C-CtHH -1 *1 C 0 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C-CtCsH -1 *1 C 0 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -C-CtCsCs -1 *1 C 0 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C-CtSsH -1 *1 C 0 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -C-CtSsCs -1 *1 C 0 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -C-CtSsSs -1 *1 C 0 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -Cds-R -1 *1 Cd 0 {2,S} {3,D} -2 R 0 {1,S} -3 R 0 {1,D} - -Ct -1 *1 Ct 0 \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/intra_substitutionCS_isomerization/forbiddenGroups.txt b/output/RMG_database/kinetics_groups/intra_substitutionCS_isomerization/forbiddenGroups.txt deleted file mode 100644 index 92335629af..0000000000 --- a/output/RMG_database/kinetics_groups/intra_substitutionCS_isomerization/forbiddenGroups.txt +++ /dev/null @@ -1,9 +0,0 @@ -RR_13 -1 *1 R 0 {2,{S,D}} -2 *3 R 1 {1,{S,D}} - -// Exception - -RR_birad -1 *3 R 1 {2,{S,D}} -2 R 1 {1,{S,D}} \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/intra_substitutionCS_isomerization/rateLibrary.txt b/output/RMG_database/kinetics_groups/intra_substitutionCS_isomerization/rateLibrary.txt deleted file mode 100644 index e1386597d1..0000000000 --- a/output/RMG_database/kinetics_groups/intra_substitutionCS_isomerization/rateLibrary.txt +++ /dev/null @@ -1,10 +0,0 @@ - -Arrhenius_EP - -// CBS-QB3 calculations - -1 XSYJ C YJ 300-1500 1.0E+12 0.0 0.00 50.0 0 0 0 0 0 A. G. Vandeputte - -2 XSR3J_S C-HHH CsJ-3-SsHH 300-1500 1.03E+09 1.057 0.00 45.5 0 0 0 0 3 A. G. Vandeputte -3 XSR4J_SS C-HHH CsJ-CsHH 300-1500 6.76E+10 0.394 0.00 45.7 0 0 0 0 3 A. G. Vandeputte -4 XSR4J_SS C-HHH CsJ-SsHH 300-1500 1.51E+11 0.327 0.00 55.1 0 0 0 0 3 A. G. Vandeputte diff --git a/output/RMG_database/kinetics_groups/intra_substitutionCS_isomerization/reactionAdjList.txt b/output/RMG_database/kinetics_groups/intra_substitutionCS_isomerization/reactionAdjList.txt deleted file mode 100644 index 8975920cd5..0000000000 --- a/output/RMG_database/kinetics_groups/intra_substitutionCS_isomerization/reactionAdjList.txt +++ /dev/null @@ -1,21 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Aaron Vandeputte 11 aug 2009 // -// // -////////////////////////////////////////////////////// - -// f01 Intramolecular substitution on S - -XSYJ -> XSYJ - -thermo_consistence: - - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) FORM_BOND {*1,S,*3} -(3) GAIN_RADICAL {*2,1} -(4) LOSE_RADICAL {*3,1} - diff --git a/output/RMG_database/kinetics_groups/intra_substitutionCS_isomerization/tree.txt b/output/RMG_database/kinetics_groups/intra_substitutionCS_isomerization/tree.txt deleted file mode 100644 index 66b7d52ea9..0000000000 --- a/output/RMG_database/kinetics_groups/intra_substitutionCS_isomerization/tree.txt +++ /dev/null @@ -1,133 +0,0 @@ -//Intramolecular substitution reaction - -L1: XSYJ - L2: XSR3J - L3: XSR3J_S - L2: XSR4J - L3: XSR4J_SS - L3: XSR4J_SD - L2: XSR5J - L3: XSR5J_SSS - L3: XSR5J_SSD - L3: XSR5J_SDS - L3: XSR5J_SDD - L2: XSR6J - L2: XSR7J - -// Radical tree Radical - First group is ring group + Second and Third are the other two groups neighboring the radical centre -// Importance of defining the group that is part of the ring is not yet clear - -L1: YJ - L2: CJ - L3: CsJ - L4: CsJ-Cs - L5: CsJ-CsHH - L5: CsJ-CsCsH - L5: CsJ-CsCsCs - L5: CsJ-CsSsH - L5: CsJ-CsSsSs - L5: CsJ-CsCsSs - L5: CsJ-CsOneDe - L6: CsJ-CsOneDeH - L7: CsJ-CsCdH - L6: CsJ-CsOneDeCs - L7: CsJ-CsCdCs - L6: CsJ-CsOneDeSs - L7: CsJ-CsCdSs - L5: CsJ-CsTwoDe - L4: CsJ-Cd - L5: CsJ-CdHH - L5: CsJ-CdCsH - L5: CsJ-CdCsCs - L5: CsJ-CdSsH - L5: CsJ-CdSsSs - L5: CsJ-CdCsSs - L5: CsJ-CdOneDe - L6: CsJ-CdOneDeH - L7: CsJ-CdCdH - L6: CsJ-CdOneDeCs - L7: CsJ-CdCdCs - L6: CsJ-CdOneDeSs - L7: CsJ-CdCdSs - L5: CsJ-CdTwoDe - L4: CsJ-Ss - L5: CsJ-SsHH - L5: CsJ-SsCsH - L5: CsJ-SsCsCs - L5: CsJ-SsSsH - L5: CsJ-SsSsSs - L5: CsJ-SsCsSs - L5: CsJ-SsOneDe - L6: CsJ-SsOneDeH - L7: CsJ-SsCdH - L6: CsJ-SsOneDeCs - L7: CsJ-SsCdCs - L6: CsJ-SsOneDeSs - L7: CsJ-SsCdSs - L3: CdsJ - L4: CdsJ-H - L4: CdsJ-Cs - L4: CdsJ-Cd - L4: CdsJ-Ss - -// -2 : Double bound not part of ring - - L3: CdsJ-2 - L4: CdsJ_C-2 - L4: CdsJ_C-Cs2 - L4: CdsJ_C-Cd2 - L4: CdsJ_C-Ss2 - L4: CdsJ_S-2 - L2: SJ - L3: SsJ - L4: SsJ-Cs - L4: SsJ-Ss - L4: SsJ-OneDe - L5: SsJ-Cd - - L2: CJ-3 - L3: CsJ-3 - L4: CsJ-3-SsHH - L4: CsJ-3-SsCsH - L4: CsJ-3-SsCsCs - L4: CsJ-3-SsSsH - L4: CsJ-3-SsSsSs - L4: CsJ-3-SsCsSs - L4: CsJ-3-SsOneDe - L5: CsJ-3-SsOneDeH - L6: CsJ-3-SsCdH - L5: CsJ-3-SsOneDeCs - L6: CsJ-3-SsCdCs - L5: CsJ-3-SsOneDeSs - L6: CsJ-3-SsCdSs - L4: CsJ-3-SsTwoDe - L3: CdsJ-3 - - L2: SJ-3 - -L1: C - L2: C-RRR - L3: C-NonDe - L4: C-HHH - L4: C-CsHH - L4: C-CsCsH - L4: C-CsCsCs - L4: C-OneS - L5: C-SsHH - L5: C-SsCsH - L5: C-SsCsCs - L3: C-OneDe - L4: C-CdHH - L4: C-CdCsH - L4: C-CdCsCs - L4: C-CdSsH - L4: C-CdSsCs - L4: C-CdSsSs - L4: C-CtHH - L4: C-CtCsH - L4: C-CtCsCs - L4: C-CtSsH - L4: C-CtSsCs - L4: C-CtSsSs - L2: Cds-R - L2: Ct \ No newline at end of file diff --git a/output/RMG_database/kinetics_groups/intra_substitutionS_cyclization/dictionary.txt b/output/RMG_database/kinetics_groups/intra_substitutionS_cyclization/dictionary.txt deleted file mode 100644 index 6650a6d5f4..0000000000 --- a/output/RMG_database/kinetics_groups/intra_substitutionS_cyclization/dictionary.txt +++ /dev/null @@ -1,1190 +0,0 @@ -XSYJ -Union {XSR3J, XSR4J, XSR5J, XSR6J, XSR7J} - -XSR3J -1 *3 {R!H} 1 {2,{S,D}} -2 *4 {R!H} 0 {1,{S,D}} {3,S} -3 *1 Ss 0 {2,S} {4,S} -4 *2 R 0 {3,S} - -XSR3J_S -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *1 Ss 0 {2,S} {4,S} -4 *2 R 0 {3,S} - -XSR3J_D -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D} {3,S} -3 *1 Ss 0 {2,S} {4,S} -4 *2 R 0 {3,S} - -XSR4J -1 *3 {R!H} 1 {2,{S,D}} -2 *5 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *4 {R!H} 0 {2,{S,D}}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 *2 R 0 {4,S} - -XSR4J_SS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,S} -3 *4 {R!H} 0 {2,S}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 *2 R 0 {4,S} - -XSR4J_SD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,S} -3 *4 {R!H} 0 {2,S}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 *2 R 0 {4,S} - -XSR4J_DS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,D} -3 *4 {R!H} 0 {2,D}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 *2 R 0 {4,S} - -XSR4J_DD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,D} -3 *4 {R!H} 0 {2,D}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 *2 R 0 {4,S} - -XSR5J -1 *3 {R!H} 1 {2,{S,D}} -2 *5 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *6 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *4 {R!H} 0 {3,{S,D}}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_SSS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *4 {R!H} 0 {3,S}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_SSD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *4 {R!H} 0 {3,S}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_SDS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,D} -3 *6 {R!H} 0 {2,D}, {4,S} -4 *4 {R!H} 0 {3,S}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_DSS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,D} -4 *4 {R!H} 0 {3,D}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_SDD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,D} -3 *6 {R!H} 0 {2,D}, {4,S} -4 *4 {R!H} 0 {3,S}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_DSD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,D} -4 *4 {R!H} 0 {3,D}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_DDS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,D} -3 *6 {R!H} 0 {2,D}, {4,D} -4 *4 {R!H} 0 {3,D}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_DDD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,D} -3 *6 {R!H} 0 {2,D}, {4,D} -4 *4 {R!H} 0 {3,D}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR6J -1 *3 {R!H} 1 {2,{S,D}} -2 *5 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *6 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *7 {R!H} 0 {3,{S,D}}, {5,{S,D}} -5 *4 {R!H} 0 {4,{S,D}}, {6,S} -6 *1 Ss 0 {5,S} {7,S} -7 *2 R 0 {6,S} - -XSR6J_SSSS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *7 {R!H} 0 {3,S}, {5,S} -5 *4 {R!H} 0 {4,S}, {6,S} -6 *1 Ss 0 {5,S} {7,S} -7 *2 R 0 {6,S} - -XSR7J -1 *3 {R!H} 1 {2,{S,D}} -2 *5 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *6 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *7 {R!H} 0 {3,{S,D}}, {5,{S,D}} -5 *8 {R!H} 0 {4,{S,D}}, {6,{S,D}} -6 *4 {R!H} 0 {5,{S,D}}, {7,S} -7 *1 Ss 0 {6,S} {8,S} -8 *2 R 0 {7,S} - -YJ -union {CJ, SJ, CJ-3, SJ-3} - -// Need to define CJ-3 en SJ-3 because ring is to small to define *4 and *5 which are equal - -// -// RJ Tree for 4 and more membered rings -// - -CJ -Union {CsJ, CdsJ,CdsJ-2} - -CsJ -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-Cs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-CsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-CsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-Cd -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CdSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-CdOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-CdOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-Ss -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-SsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-SsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ -1 *3 C 1 {2,D}, {3,S} -2 *5 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-H -1 *3 C 1 {2,D}, {3,S} -2 *5 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-Cs -1 *3 C 1 {2,D}, {3,S} -2 *5 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-Cd -1 *3 C 1 {2,D}, {3,S} -2 *5 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-Ss -1 *3 C 1 {2,D}, {3,S} -2 *5 C 0 {1,D} -3 Ss 0 {1,S} - -CdsJ-2 -1 *3 C 1 {2,D}, {3,S} -2 R 0 {1,D} -3 *5 R 0 {1,S} - -CdsJ_C-2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *5 R 0 {1,S} - -CdsJ_C-Cs2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *5 Cs 0 {1,S} - -CdsJ_C-Cd2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *5 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ_C-Ss2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *5 Ss 0 {1,S} - -CdsJ_S-2 -1 *3 C 1 {2,D}, {3,S} -2 S 0 {1,D} -3 *5 R 0 {1,S} - -SJ -1 *3 Ss 1 {2,S} -2 *5 R 0 {1,S} - -SsJ -1 *3 Ss 1 {2,S} -2 *5 R 0 {1,S} - -SsJ-Cs -1 *3 Ss 1 {2,S} -2 *5 Cs 0 {1,S} - -SsJ-Ss -1 *3 Ss 1 {2,S} -2 *5 Ss 0 {1,S} - -SsJ-OneDe -1 *3 Ss 1 {2,S} -2 *5 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-Cd -1 *3 Ss 1 {2,S} -2 *5 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -// 3-membered rings have to dealt with seperately as *4 = *5 - -CJ-3 -Union {CsJ-3, CdsJ-3, CdsJ-3-2} - -CsJ-3 -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-Cs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-CsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-3-Cd -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-CdOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-3-Ss -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-SsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ-3 -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-3-H -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-3-Cs -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-3-Cd -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-3-Ss -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Ss 0 {1,S} - -CdsJ-3-2 -1 *3 C 1 {2,D}, {3,S} -2 R 0 {1,D} -3 *4 R 0 {1,S} - -CdsJ_C-3-2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 R 0 {1,S} - -CdsJ_C-3-Cs2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Cs 0 {1,S} - -CdsJ_C-3-Cd2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ_C-3-Ss2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Ss 0 {1,S} - -CdsJ_S-3-2 -1 *3 C 1 {2,D}, {3,S} -2 S 0 {1,D} -3 *4 R 0 {1,S} - -SJ-3 -1 *3 Ss 1 {2,S} -2 *4 R 0 {1,S} - -SsJ-3 -1 *3 Ss 1 {2,S} -2 *4 R 0 {1,S} - -SsJ-3-Cs -1 *3 Ss 1 {2,S} -2 *4 Cs 0 {1,S} - -SsJ-3-Ss -1 *3 Ss 1 {2,S} -2 *4 Ss 0 {1,S} - -SsJ-3-OneDe -1 *3 Ss 1 {2,S} -2 *4 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-3-Cd -1 *3 Ss 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -// -// R-H Tree -// - -S-RR -1 *1 Ss 0 {2,S} {3,S} -2 *2 R 0 {1,S} -3 *4 R 0 {1,S} - -S-HC -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 *4 C 0 {1,S} - -S-CC -1 *1 Ss 0 {2,S} {3,S} -2 *2 C 0 {1,S} -3 *4 C 0 {1,S} - -S-CsC -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} -3 *4 C 0 {1,S} - -S-Cs(NonDe)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} - -S-Cs(HHH)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -S-Cs(CsHH)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(CsCsH)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 H 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(CsCsCs)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(De)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 R 0 {2,S} -6 R 0 {2,S} - -S-Cs(OneDe)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} - -S-Cs(CdHH)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 Cd 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -S-Cs(CdCsH)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 Cd 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -S-Cs(CdCsCs)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 Cd 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(CtHH)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 Ct 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -S-Cs(CtCsH)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 Ct 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -S-Cs(CtCsCs)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 Ct 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(TwoDe)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {H,Cs} 0 {2,S} - -S-Cs(ThreeDe)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -S-CdC -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} -3 *4 C 0 {1,S} -4 C 0 {2,D} - -S-Cds(H)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 *4 C 0 {1,S} -4 C 0 {2,D} -5 H 0 {2,S} - -S-Cds(Cs)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 *4 C 0 {1,S} -4 C 0 {2,D} -5 Cs 0 {2,S} - -S-CtC -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 *4 C 0 {1,S} - -S-CbC -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 *4 C 0 {1,S} - -S-CSs -1 *1 Ss 0 {2,S} {3,S} -2 *4 S 0 {1,S} -3 *2 C 0 {1,S} - -S-CsSs -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Cs 0 {1,S} - -S-Cs(HHH)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsHH)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsH)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsCs)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-CdSs -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-Cds(H)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} - -S-Cds(Cs)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} - -S-CtSs -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Ct 0 {1,S} - -S-CbSs -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Cb 0 {1,S} - -S-SC -1 *1 Ss 0 {2,S} {3,S} -2 *2 S 0 {1,S} -3 *4 C 0 {1,S} - -S-SsC -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 *4 C 0 {1,S} - -S-Ss(H)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 *4 C 0 {1,S} -4 H 0 {2,S} - -S-Ss(Cs)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 *4 C 0 {1,S} -4 Cs 0 {2,S} - -S-Ss(Ss)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 *4 C 0 {1,S} -4 Ss 0 {2,S} - -S-HSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 *4 Ss 0 {1,S} - -S-SsSs -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Ss 0 {1,S} - -S-Ss(H)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Ss 0 {1,S} {4,S} -4 H 0 {3,S} - -S-Ss(Cs)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Ss 0 {1,S} {4,S} -4 Cs 0 {3,S} - -S-Ss(Ss)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 *4 Ss 0 {1,S} {4,S} -4 Ss 0 {3,S} diff --git a/output/RMG_database/kinetics_groups/intra_substitutionS_cyclization/rateLibrary.txt b/output/RMG_database/kinetics_groups/intra_substitutionS_cyclization/rateLibrary.txt deleted file mode 100644 index 64f6c8d6ab..0000000000 --- a/output/RMG_database/kinetics_groups/intra_substitutionS_cyclization/rateLibrary.txt +++ /dev/null @@ -1,15 +0,0 @@ - -Arrhenius_EP - -// CBS-QB3 calculations - -1 XSYJ YJ S-RR 300-1500 2.0E+12 0.0 0.00 20.0 0 0 0 0 0 A. G. Vandeputte - -2 XSR3J_S SsJ-3-Cs S-HC 300-1500 5.42E+09 1.1 0.00 42.9 0 0 0 0 3 A. G. Vandeputte -3 XSR3J_S CsJ-3-CsHH S-HC 300-1500 9.34E+10 0.6 1.00 35.0 0 0 0 0 3 A. G. Vandeputte -4 XSR3J_S CsJ-3-SsHH S-HSs 300-1500 3.04E+11 0.5 2.00 40.1 0 0 0 0 3 A. G. Vandeputte -5 XSR3J_S SsJ-3-Cs S-Cs(HHH)C 300-1500 9.65E+11 1.1 0.00 33.2 0 0 0 0 3 A. G. Vandeputte -6 XSR3J_S CsJ-3-SsHH S-Cs(HHH)Ss 300-1500 1.76E+12 0.2 0.00 34.6 0 0 0 0 3 A. G. Vandeputte -7 XSR3J_S CsJ-3-SsHH S-Ss(H)Ss 300-1500 2.65E+12 0.1 0.00 12.1 0 0 0 0 3 A. G. Vandeputte -8 XSR5J_SSS CsJ-CsCsH S-Cs(NonDe)C 300-1500 2.70E+04 0.0 0.0 7.73 0 0 0 0 3 AA Calc -9 XSR6J_SSSS CsJ-CsCsH S-Cs(NonDe)C 300-1500 2.70E+02 0.0 0.0 6.04 0 0 0 0 3 AA Calc diff --git a/output/RMG_database/kinetics_groups/intra_substitutionS_cyclization/reactionAdjList.txt b/output/RMG_database/kinetics_groups/intra_substitutionS_cyclization/reactionAdjList.txt deleted file mode 100644 index 7741314ce4..0000000000 --- a/output/RMG_database/kinetics_groups/intra_substitutionS_cyclization/reactionAdjList.txt +++ /dev/null @@ -1,22 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Aaron Vandeputte 11 aug 2009 // -// // -////////////////////////////////////////////////////// - - -// f01 Intramolecular substitution on S - -XSYJ -> SY + XJ - -forward -reverse(f24): Ring_OpeningS - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) FORM_BOND {*1,S,*3} -(3) GAIN_RADICAL {*2,1} -(4) LOSE_RADICAL {*3,1} - diff --git a/output/RMG_database/kinetics_groups/intra_substitutionS_cyclization/tree.txt b/output/RMG_database/kinetics_groups/intra_substitutionS_cyclization/tree.txt deleted file mode 100644 index 94e7f6b8e2..0000000000 --- a/output/RMG_database/kinetics_groups/intra_substitutionS_cyclization/tree.txt +++ /dev/null @@ -1,212 +0,0 @@ -//Intramolecular substitution reaction - -L1: XSYJ - L2: XSR3J - L3: XSR3J_S - L3: XSR3J_D - L2: XSR4J - L3: XSR4J_SS - L3: XSR4J_SD - L3: XSR4J_DS - L3: XSR4J_DD - L2: XSR5J - L3: XSR5J_SSS - L3: XSR5J_SSD - L3: XSR5J_SDS - L3: XSR5J_DSS - L3: XSR5J_DDS - L3: XSR5J_DSD - L3: XSR5J_SDD - L3: XSR5J_DDD - L2: XSR6J - L3: XSR6J_SSSS - L2: XSR7J - -// Radical tree Radical - First group is ring group + Second and Third are the other two groups neighboring the radical centre -// Importance of defining the group that is part of the ring is not yet clear - -L1: YJ - L2: CJ - L3: CsJ - L4: CsJ-Cs - L5: CsJ-CsHH - L5: CsJ-CsCsH - L5: CsJ-CsCsCs - L5: CsJ-CsSsH - L5: CsJ-CsSsSs - L5: CsJ-CsCsSs - L5: CsJ-CsOneDe - L6: CsJ-CsOneDeH - L7: CsJ-CsCdH - L6: CsJ-CsOneDeCs - L7: CsJ-CsCdCs - L6: CsJ-CsOneDeSs - L7: CsJ-CsCdSs - L5: CsJ-CsTwoDe - L4: CsJ-Cd - L5: CsJ-CdHH - L5: CsJ-CdCsH - L5: CsJ-CdCsCs - L5: CsJ-CdSsH - L5: CsJ-CdSsSs - L5: CsJ-CdCsSs - L5: CsJ-CdOneDe - L6: CsJ-CdOneDeH - L7: CsJ-CdCdH - L6: CsJ-CdOneDeCs - L7: CsJ-CdCdCs - L6: CsJ-CdOneDeSs - L7: CsJ-CdCdSs - L5: CsJ-CdTwoDe - L4: CsJ-Ss - L5: CsJ-SsHH - L5: CsJ-SsCsH - L5: CsJ-SsCsCs - L5: CsJ-SsSsH - L5: CsJ-SsSsSs - L5: CsJ-SsCsSs - L5: CsJ-SsOneDe - L6: CsJ-SsOneDeH - L7: CsJ-SsCdH - L6: CsJ-SsOneDeCs - L7: CsJ-SsCdCs - L6: CsJ-SsOneDeSs - L7: CsJ-SsCdSs - L3: CdsJ - L4: CdsJ-H - L4: CdsJ-Cs - L4: CdsJ-Cd - L4: CdsJ-Ss - -// -2 : Double bound not part of ring - - L3: CdsJ-2 - L4: CdsJ_C-2 - L5: CdsJ_C-Cs2 - L5: CdsJ_C-Cd2 - L5: CdsJ_C-Ss2 - L4: CdsJ_S-2 - - - L2: SJ - L3: SsJ - L4: SsJ-Cs - L4: SsJ-Ss - L4: SsJ-OneDe - L5: SsJ-Cd - - - L2: CJ-3 - L3: CsJ-3 - L4: CsJ-3-Cs - L5: CsJ-3-CsHH - L5: CsJ-3-CsCsH - L5: CsJ-3-CsCsCs - L5: CsJ-3-CsSsH - L5: CsJ-3-CsSsSs - L5: CsJ-3-CsCsSs - L5: CsJ-3-CsOneDe - L6: CsJ-3-CsOneDeH - L7: CsJ-3-CsCdH - L6: CsJ-3-CsOneDeCs - L7: CsJ-3-CsCdCs - L6: CsJ-3-CsOneDeSs - L7: CsJ-3-CsCdSs - L5: CsJ-3-CsTwoDe - L4: CsJ-3-Cd - L5: CsJ-3-CdHH - L5: CsJ-3-CdCsH - L5: CsJ-3-CdCsCs - L5: CsJ-3-CdSsH - L5: CsJ-3-CdSsSs - L5: CsJ-3-CdCsSs - L5: CsJ-3-CdOneDe - L6: CsJ-3-CdOneDeH - L7: CsJ-3-CdCdH - L6: CsJ-3-CdOneDeCs - L7: CsJ-3-CdCdCs - L6: CsJ-3-CdOneDeSs - L7: CsJ-3-CdCdSs - L5: CsJ-3-CdTwoDe - L4: CsJ-3-Ss - L5: CsJ-3-SsHH - L5: CsJ-3-SsCsH - L5: CsJ-3-SsCsCs - L5: CsJ-3-SsSsH - L5: CsJ-3-SsSsSs - L5: CsJ-3-SsCsSs - L5: CsJ-3-SsOneDe - L6: CsJ-3-SsOneDeH - L7: CsJ-3-SsCdH - L6: CsJ-3-SsOneDeCs - L7: CsJ-3-SsCdCs - L6: CsJ-3-SsOneDeSs - L7: CsJ-3-SsCdSs - L3: CdsJ-3 - L4: CdsJ-3-H - L4: CdsJ-3-Cs - L4: CdsJ-3-Cd - L4: CdsJ-3-Ss - -// -2 : Double bound not part of ring - - L3: CdsJ-3-2 - L4: CdsJ_C-3-2 - L5: CdsJ_C-3-Cs2 - L5: CdsJ_C-3-Cd2 - L5: CdsJ_C-3-Ss2 - L4: CdsJ_S-3-2 - L2: SJ-3 - L3: SsJ-3 - L4: SsJ-3-Cs - L4: SsJ-3-Ss - L4: SsJ-3-OneDe - L5: SsJ-3-Cd - - - -L1: S-RR - L2: S-HC - L2: S-CC - L3: S-CsC - L4:S-Cs(NonDe)C - L5: S-Cs(HHH)C - L5: S-Cs(CsHH)C - L5: S-Cs(CsCsH)C - L5: S-Cs(CsCsCs)C - L4: S-Cs(De)C - L5: S-Cs(OneDe)C - L6: S-Cs(CdHH)C - L6: S-Cs(CdCsH)C - L6: S-Cs(CdCsCs)C - L6: S-Cs(CtHH)C - L6: S-Cs(CtCsH)C - L6: S-Cs(CtCsCs)C - L5: S-Cs(TwoDe)C - L5: S-Cs(ThreeDe)C - L3: S-CdC - L4: S-Cds(H)C - L4: S-Cds(Cs)C - L3: S-CtC - L3: S-CbC - L2: S-CSs - L3: S-CsSs - L4: S-Cs(HHH)Ss - L4: S-Cs(CsHH)Ss - L4: S-Cs(CsCsH)Ss - L4: S-Cs(CsCsCs)Ss - L3: S-CdSs - L4: S-Cds(H)Ss - L4: S-Cds(Cs)Ss - L3: S-CtSs - L3: S-CbSs - L2: S-SC - L3: S-SsC - L4: S-Ss(H)C - L4: S-Ss(Cs)C - L4: S-Ss(Ss)C - L2: S-HSs - L2: S-SsSs - L3: S-Ss(H)Ss - L3: S-Ss(Cs)Ss - L3: S-Ss(Ss)Ss diff --git a/output/RMG_database/kinetics_groups/intra_substitutionS_isomerization/dictionary.txt b/output/RMG_database/kinetics_groups/intra_substitutionS_isomerization/dictionary.txt deleted file mode 100644 index 97c5484f42..0000000000 --- a/output/RMG_database/kinetics_groups/intra_substitutionS_isomerization/dictionary.txt +++ /dev/null @@ -1,1181 +0,0 @@ -XSYJ -Union {XSR3J, XSR4J, XSR5J, XSR6J, XSR7J} - -XSR3J -1 *3 {R!H} 1 {2,{S,D}} -2 *2 {R!H} 0 {1,{S,D}} {3,S} -3 *1 Ss 0 {2,S} {4,S} -4 R 0 {3,S} - -XSR3J_S -1 *3 {R!H} 1 {2,S} -2 *2 {R!H} 0 {1,S} {3,S} -3 *1 Ss 0 {2,S} {4,S} -4 R 0 {3,S} - -XSR3J_D -1 *3 {R!H} 1 {2,D} -2 *2 {R!H} 0 {1,D} {3,S} -3 *1 Ss 0 {2,S} {4,S} -4 R 0 {3,S} - -XSR4J -1 *3 {R!H} 1 {2,{S,D}} -2 *4 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *2 {R!H} 0 {2,{S,D}}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 R 0 {4,S} - -XSR4J_SS -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 R 0 {4,S} - -XSR4J_SD -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,S} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 R 0 {4,S} - -XSR4J_DS -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,D} -3 *2 {R!H} 0 {2,D}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 R 0 {4,S} - -XSR4J_DD -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,D} -3 *2 {R!H} 0 {2,D}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 R 0 {4,S} - -XSR5J -1 *3 {R!H} 1 {2,{S,D}} -2 *4 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *5 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *2 {R!H} 0 {3,{S,D}}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 R 0 {5,S} - -XSR5J_SSS -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 R 0 {5,S} - -XSR5J_SSD -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 R 0 {5,S} - -XSR5J_SDS -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,D} -3 *5 {R!H} 0 {2,D}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 R 0 {5,S} - -XSR5J_DSS -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,D} -4 *2 {R!H} 0 {3,D}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 R 0 {5,S} - -XSR5J_SDD -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,D} -3 *5 {R!H} 0 {2,D}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 R 0 {5,S} - -XSR5J_DSD -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,D} -4 *2 {R!H} 0 {3,D}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 R 0 {5,S} - -XSR5J_DDS -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,D} -3 *5 {R!H} 0 {2,D}, {4,D} -4 *2 {R!H} 0 {3,D}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 R 0 {5,S} - -XSR5J_DDD -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,D} -3 *5 {R!H} 0 {2,D}, {4,D} -4 *2 {R!H} 0 {3,D}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 R 0 {5,S} - -XSR6J -1 *3 {R!H} 1 {2,{S,D}} -2 *4 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *5 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *6 {R!H} 0 {3,{S,D}}, {5,{S,D}} -5 *2 {R!H} 0 {4,{S,D}}, {6,S} -6 *1 Ss 0 {5,S} {7,S} -7 R 0 {6,S} - -XSR7J -1 *3 {R!H} 1 {2,{S,D}} -2 *4 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *5 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *6 {R!H} 0 {3,{S,D}}, {5,{S,D}} -5 *7 {R!H} 0 {4,{S,D}}, {6,{S,D}} -6 *2 {R!H} 0 {5,{S,D}}, {7,S} -7 *1 Ss 0 {6,S} {8,S} -8 R 0 {7,S} - -YJ -union {CJ, SJ, CJ-3, SJ-3} - -// Need to define CJ-3 en SJ-3 because ring is to small to define *2 and *4 which are equal - -// -// RJ Tree for 4 and more membered rings -// - -CJ -Union {CsJ, CdsJ, CdsJ-2} - -CsJ -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-Cs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-CsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-CsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-Cd -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CdSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-CdOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-CdOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-Ss -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-SsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-SsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-H -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-Cs -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-Cd -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-Ss -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Ss 0 {1,S} - -CdsJ-2 -1 *3 C 1 {2,D}, {3,S} -2 R 0 {1,D} -3 *4 R 0 {1,S} - -CdsJ_C-2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 R 0 {1,S} - -CdsJ_C-Cs2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Cs 0 {1,S} - -CdsJ_C-Cd2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ_C-Ss2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Ss 0 {1,S} - -CdsJ_S-2 -1 *3 C 1 {2,D}, {3,S} -2 S 0 {1,D} -3 *4 R 0 {1,S} - -SJ -1 *3 Ss 1 {2,S} -2 *4 R 0 {1,S} - -SsJ -1 *3 Ss 1 {2,S} -2 *4 R 0 {1,S} - -SsJ-Cs -1 *3 Ss 1 {2,S} -2 *4 Cs 0 {1,S} - -SsJ-Ss -1 *3 Ss 1 {2,S} -2 *4 Ss 0 {1,S} - -SsJ-OneDe -1 *3 Ss 1 {2,S} -2 *4 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-Cd -1 *3 Ss 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -// 3-membered rings have to dealt with seperately as *2 = *4 - -CJ-3 -Union {CsJ-3, CdsJ-3, CdsJ-3-2 } - -CsJ-3 -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-Cs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-CsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-3-Cd -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-CdOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-3-Ss -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-SsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ-3 -1 *3 C 1 {2,D}, {3,S} -2 *2 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-3-H -1 *3 C 1 {2,D}, {3,S} -2 *2 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-3-Cs -1 *3 C 1 {2,D}, {3,S} -2 *2 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-3-Cd -1 *3 C 1 {2,D}, {3,S} -2 *2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-3-Ss -1 *3 C 1 {2,D}, {3,S} -2 *2 C 0 {1,D} -3 Ss 0 {1,S} - -CdsJ-3-2 -1 *3 C 1 {2,D}, {3,S} -2 R 0 {1,D} -3 *2 R 0 {1,S} - -CdsJ_C-3-2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *2 R 0 {1,S} - -CdsJ_C-3-Cs2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *2 Cs 0 {1,S} - -CdsJ_C-3-Cd2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *2 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ_C-3-Ss2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *2 Ss 0 {1,S} - -CdsJ_S-3-2 -1 *3 C 1 {2,D}, {3,S} -2 S 0 {1,D} -3 *2 R 0 {1,S} - -SJ-3 -1 *3 Ss 1 {2,S} -2 *2 R 0 {1,S} - -SsJ-3 -1 *3 Ss 1 {2,S} -2 *2 R 0 {1,S} - -SsJ-3-Cs -1 *3 Ss 1 {2,S} -2 *2 Cs 0 {1,S} - -SsJ-3-Ss -1 *3 Ss 1 {2,S} -2 *2 Ss 0 {1,S} - -SsJ-3-OneDe -1 *3 Ss 1 {2,S} -2 *2 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-3-Cd -1 *3 Ss 1 {2,S} -2 *2 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -// -// R-H Tree -// - -S-RR -1 *1 Ss 0 {2,S} {3,S} -2 R 0 {1,S} -3 *2 R 0 {1,S} - -S-HC -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 C 0 {1,S} - -S-CC -1 *1 Ss 0 {2,S} {3,S} -2 C 0 {1,S} -3 *2 C 0 {1,S} - -S-CsC -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} -3 *2 C 0 {1,S} - -S-Cs(NonDe)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} - -S-Cs(HHH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -S-Cs(CsHH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(CsCsH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 H 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(CsCsCs)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(De)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 R 0 {2,S} -6 R 0 {2,S} - -S-Cs(OneDe)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} - -S-Cs(CdHH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cd 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -S-Cs(CdCsH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cd 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -S-Cs(CdCsCs)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cd 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(CtHH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cd 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -S-Cs(CtCsH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cd 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -S-Cs(CtCsCs)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cd 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(TwoDe)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {H,Cs} 0 {2,S} - -S-Cs(ThreeDe)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -S-CdC -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} -3 *2 C 0 {1,S} -4 C 0 {2,D} - -S-Cds(H)C -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 C 0 {1,S} -4 C 0 {2,D} -5 H 0 {2,S} - -S-Cds(Cs)C -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 C 0 {1,S} -4 C 0 {2,D} -5 Cs 0 {2,S} - -S-CtC -1 *1 Ss 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 C 0 {1,S} - -S-CbC -1 *1 Ss 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 C 0 {1,S} - -S-CSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 S 0 {1,S} -3 C 0 {1,S} - -S-CsSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} - -S-Cs(HHH)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsHH)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsH)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsCs)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-CdSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-Cds(H)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} - -S-Cds(Cs)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} - -S-CtSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Ct 0 {1,S} - -S-CbSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cb 0 {1,S} - -S-SC -1 *1 Ss 0 {2,S} {3,S} -2 S 0 {1,S} -3 *2 C 0 {1,S} - -S-SsC -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} -3 *2 C 0 {1,S} - -S-Ss(H)C -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 C 0 {1,S} -4 H 0 {2,S} - -S-Ss(Cs)C -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 C 0 {1,S} -4 Cs 0 {2,S} - -S-Ss(Ss)C -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 C 0 {1,S} -4 Ss 0 {2,S} - -S-HSs -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Ss 0 {1,S} - -S-SsSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Ss 0 {1,S} - -S-Ss(H)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Ss 0 {1,S} {4,S} -4 H 0 {3,S} - -S-Ss(Cs)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Ss 0 {1,S} {4,S} -4 Cs 0 {3,S} - -S-Ss(Ss)Ss -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} -3 *2 Ss 0 {1,S} {4,S} -4 Ss 0 {3,S} diff --git a/output/RMG_database/kinetics_groups/intra_substitutionS_isomerization/rateLibrary.txt b/output/RMG_database/kinetics_groups/intra_substitutionS_isomerization/rateLibrary.txt deleted file mode 100644 index aebcce7e03..0000000000 --- a/output/RMG_database/kinetics_groups/intra_substitutionS_isomerization/rateLibrary.txt +++ /dev/null @@ -1,9 +0,0 @@ - -Arrhenius_EP - -// CBS-QB3 calculations - -1 XSYJ YJ S-RR 300-1500 1.00E+12 0.0 0.00 20.0 0 0 0 0 0 A. G. Vandeputte - -2 XSR3J_S CsJ-3-SsHH S-Cs(HHH)Ss 300-1500 3.29E+11 0.211 0.00 31.9 0 0 0 0 3 A. G. Vandeputte -3 XSR4J_SS CsJ-CsHH S-HSs 300-1500 2.88E+11 0.108 0.00 21.9 0 0 0 0 3 A. G. Vandeputte diff --git a/output/RMG_database/kinetics_groups/intra_substitutionS_isomerization/reactionAdjList.txt b/output/RMG_database/kinetics_groups/intra_substitutionS_isomerization/reactionAdjList.txt deleted file mode 100644 index ca0da4a409..0000000000 --- a/output/RMG_database/kinetics_groups/intra_substitutionS_isomerization/reactionAdjList.txt +++ /dev/null @@ -1,24 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Aaron Vandeputte 11 aug 2009 // -// // -////////////////////////////////////////////////////// - - -// f01 Intramolecular substitution on S - -XSYJ -> XSYJ - -// thermo_consistence - -forward -reverse(f25): cleavagebyrad - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) FORM_BOND {*1,S,*3} -(3) GAIN_RADICAL {*2,1} -(4) LOSE_RADICAL {*3,1} - diff --git a/output/RMG_database/kinetics_groups/intra_substitutionS_isomerization/tree.txt b/output/RMG_database/kinetics_groups/intra_substitutionS_isomerization/tree.txt deleted file mode 100644 index 03ed76e30d..0000000000 --- a/output/RMG_database/kinetics_groups/intra_substitutionS_isomerization/tree.txt +++ /dev/null @@ -1,209 +0,0 @@ -//Intramolecular substitution reaction - -L1: XSYJ - L2: XSR3J - L3: XSR3J_S - L3: XSR3J_D - L2: XSR4J - L3: XSR4J_SS - L3: XSR4J_SD - L3: XSR4J_DS - L3: XSR4J_DD - L2: XSR5J - L3: XSR5J_SSS - L3: XSR5J_SSD - L3: XSR5J_SDS - L3: XSR5J_DSS - L3: XSR5J_DDS - L3: XSR5J_DSD - L3: XSR5J_SDD - L3: XSR5J_DDD - L2: XSR6J - L2: XSR7J - -// Radical tree Radical - First group is ring group + Second and Third are the other two groups neighboring the radical centre -// Importance of defining the group that is part of the ring is not yet clear - -L1: YJ - L2: CJ - L3: CsJ - L4: CsJ-Cs - L5: CsJ-CsHH - L5: CsJ-CsCsH - L5: CsJ-CsCsCs - L5: CsJ-CsSsH - L5: CsJ-CsSsSs - L5: CsJ-CsCsSs - L5: CsJ-CsOneDe - L6: CsJ-CsOneDeH - L7: CsJ-CsCdH - L6: CsJ-CsOneDeCs - L7: CsJ-CsCdCs - L6: CsJ-CsOneDeSs - L7: CsJ-CsCdSs - L5: CsJ-CsTwoDe - L4: CsJ-Cd - L5: CsJ-CdHH - L5: CsJ-CdCsH - L5: CsJ-CdCsCs - L5: CsJ-CdSsH - L5: CsJ-CdSsSs - L5: CsJ-CdCsSs - L5: CsJ-CdOneDe - L6: CsJ-CdOneDeH - L7: CsJ-CdCdH - L6: CsJ-CdOneDeCs - L7: CsJ-CdCdCs - L6: CsJ-CdOneDeSs - L7: CsJ-CdCdSs - L5: CsJ-CdTwoDe - L4: CsJ-Ss - L5: CsJ-SsHH - L5: CsJ-SsCsH - L5: CsJ-SsCsCs - L5: CsJ-SsSsH - L5: CsJ-SsSsSs - L5: CsJ-SsCsSs - L5: CsJ-SsOneDe - L6: CsJ-SsOneDeH - L7: CsJ-SsCdH - L6: CsJ-SsOneDeCs - L7: CsJ-SsCdCs - L6: CsJ-SsOneDeSs - L7: CsJ-SsCdSs - L3: CdsJ - L4: CdsJ-H - L4: CdsJ-Cs - L4: CdsJ-Cd - L4: CdsJ-Ss - -// -2 : Double bound not part of ring - - L3: CdsJ-2 - L4: CdsJ_C-2 - L5: CdsJ_C-Cs2 - L5: CdsJ_C-Cd2 - L5: CdsJ_C-Ss2 - L4: CdsJ_S-2 - L2: SJ - L3: SsJ - L4: SsJ-Cs - L4: SsJ-Ss - L4: SsJ-OneDe - L5: SsJ-Cd - - - L2: CJ-3 - L3: CsJ-3 - L4: CsJ-3-Cs - L5: CsJ-3-CsHH - L5: CsJ-3-CsCsH - L5: CsJ-3-CsCsCs - L5: CsJ-3-CsSsH - L5: CsJ-3-CsSsSs - L5: CsJ-3-CsCsSs - L5: CsJ-3-CsOneDe - L6: CsJ-3-CsOneDeH - L7: CsJ-3-CsCdH - L6: CsJ-3-CsOneDeCs - L7: CsJ-3-CsCdCs - L6: CsJ-3-CsOneDeSs - L7: CsJ-3-CsCdSs - L5: CsJ-3-CsTwoDe - L4: CsJ-3-Cd - L5: CsJ-3-CdHH - L5: CsJ-3-CdCsH - L5: CsJ-3-CdCsCs - L5: CsJ-3-CdSsH - L5: CsJ-3-CdSsSs - L5: CsJ-3-CdCsSs - L5: CsJ-3-CdOneDe - L6: CsJ-3-CdOneDeH - L7: CsJ-3-CdCdH - L6: CsJ-3-CdOneDeCs - L7: CsJ-3-CdCdCs - L6: CsJ-3-CdOneDeSs - L7: CsJ-3-CdCdSs - L5: CsJ-3-CdTwoDe - L4: CsJ-3-Ss - L5: CsJ-3-SsHH - L5: CsJ-3-SsCsH - L5: CsJ-3-SsCsCs - L5: CsJ-3-SsSsH - L5: CsJ-3-SsSsSs - L5: CsJ-3-SsCsSs - L5: CsJ-3-SsOneDe - L6: CsJ-3-SsOneDeH - L7: CsJ-3-SsCdH - L6: CsJ-3-SsOneDeCs - L7: CsJ-3-SsCdCs - L6: CsJ-3-SsOneDeSs - L7: CsJ-3-SsCdSs - L3: CdsJ-3 - L4: CdsJ-3-H - L4: CdsJ-3-Cs - L4: CdsJ-3-Cd - L4: CdsJ-3-Ss - -// -2 : Double bound not part of ring - - L3: CdsJ-3-2 - L4: CdsJ_C-3-2 - L5: CdsJ_C-3-Cs2 - L5: CdsJ_C-3-Cd2 - L5: CdsJ_C-3-Ss2 - L4: CdsJ_S-3-2 - L2: SJ-3 - L3: SsJ-3 - L4: SsJ-3-Cs - L4: SsJ-3-Ss - L4: SsJ-3-OneDe - L5: SsJ-3-Cd - - - -L1: S-RR - L2: S-HC - L2: S-CC - L3: S-CsC - L4:S-Cs(NonDe)C - L5: S-Cs(HHH)C - L5: S-Cs(CsHH)C - L5: S-Cs(CsCsH)C - L5: S-Cs(CsCsCs)C - L4: S-Cs(De)C - L5: S-Cs(OneDe)C - L6: S-Cs(CdHH)C - L6: S-Cs(CdCsH)C - L6: S-Cs(CdCsCs)C - L6: S-Cs(CtHH)C - L6: S-Cs(CtCsH)C - L6: S-Cs(CtCsCs)C - L5: S-Cs(TwoDe)C - L5: S-Cs(ThreeDe)C - L3: S-CdC - L4: S-Cds(H)C - L4: S-Cds(Cs)C - L3: S-CtC - L3: S-CbC - L2: S-CSs - L3: S-CsSs - L4: S-Cs(HHH)Ss - L4: S-Cs(CsHH)Ss - L4: S-Cs(CsCsH)Ss - L4: S-Cs(CsCsCs)Ss - L3: S-CdSs - L4: S-Cds(H)Ss - L4: S-Cds(Cs)Ss - L3: S-CtSs - L3: S-CbSs - L2: S-SC - L3: S-SsC - L4: S-Ss(H)C - L4: S-Ss(Cs)C - L4: S-Ss(Ss)C - L2: S-HSs - L2: S-SsSs - L3: S-Ss(H)Ss - L3: S-Ss(Cs)Ss - L3: S-Ss(Ss)Ss diff --git a/output/RMG_database/kinetics_groups/ketoenol/dictionary.txt b/output/RMG_database/kinetics_groups/ketoenol/dictionary.txt deleted file mode 100755 index 9ac2cc2dd9..0000000000 --- a/output/RMG_database/kinetics_groups/ketoenol/dictionary.txt +++ /dev/null @@ -1,151 +0,0 @@ -//F36 ketoenol - -R_ROR -1 *1 R 0 {2,D} -2 *2 R 0 {1,D} {3,S} -3 *3 O 0 {2,S} {4,S} -4 *4 R 0 {3,S} - -C_COH -1 *1 C 0 {2,D} -2 *2 C 0 {1,D} {3,S} -3 *3 O 0 {2,S} {4,S} -4 *4 H 0 {3,S} - -Cds/H2_Cds/ROH -1 *1 C 0 {2,D} {5,S} {6,S} -2 *2 C 0 {1,D} {3,S} {7,S} -3 *3 O 0 {2,S} {4,S} -4 *4 H 0 {3,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 R 0 {2,S} - -Cds/H2_Cds/HOH -1 *1 C 0 {2,D} {5,S} {6,S} -2 *2 C 0 {1,D} {3,S} {7,S} -3 *3 O 0 {2,S} {4,S} -4 *4 H 0 {3,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {2,S} - -Cds/H2_Cds/CsOH -1 *1 C 0 {2,D} {5,S} {6,S} -2 *2 C 0 {1,D} {3,S} {7,S} -3 *3 O 0 {2,S} {4,S} -4 *4 H 0 {3,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 Cs 0 {2,S} - -Cds/CsH_Cds/ROH -1 *1 C 0 {2,D} {5,S} {6,S} -2 *2 C 0 {1,D} {3,S} {7,S} -3 *3 O 0 {2,S} {4,S} -4 *4 H 0 {3,S} -5 Cs 0 {1,S} -6 H 0 {1,S} -7 R 0 {2,S} - -Cds/CsH_Cds/HOH -1 *1 C 0 {2,D} {5,S} {6,S} -2 *2 C 0 {1,D} {3,S} {7,S} -3 *3 O 0 {2,S} {4,S} -4 *4 H 0 {3,S} -5 Cs 0 {1,S} -6 H 0 {1,S} -7 H 0 {2,S} - -Cds/CsH_Cds/CsOH -1 *1 C 0 {2,D} {5,S} {6,S} -2 *2 C 0 {1,D} {3,S} {7,S} -3 *3 O 0 {2,S} {4,S} -4 *4 H 0 {3,S} -5 Cs 0 {1,S} -6 H 0 {1,S} -7 Cs 0 {2,S} - -Cds/CsCs_Cds/ROH -1 *1 C 0 {2,D} {5,S} {6,S} -2 *2 C 0 {1,D} {3,S} {7,S} -3 *3 O 0 {2,S} {4,S} -4 *4 H 0 {3,S} -5 Cs 0 {1,S} -6 Cs 0 {1,S} -7 R 0 {2,S} - -Cds/CsCs_Cds/HOH -1 *1 C 0 {2,D} {5,S} {6,S} -2 *2 C 0 {1,D} {3,S} {7,S} -3 *3 O 0 {2,S} {4,S} -4 *4 H 0 {3,S} -5 Cs 0 {1,S} -6 Cs 0 {1,S} -7 H 0 {2,S} - -Cds/CsCs_Cds/CsOH -1 *1 C 0 {2,D} {5,S} {6,S} -2 *2 C 0 {1,D} {3,S} {7,S} -3 *3 O 0 {2,S} {4,S} -4 *4 H 0 {3,S} -5 Cs 0 {1,S} -6 Cs 0 {1,S} -7 Cs 0 {2,S} - -C_COC -1 *1 C 0 {2,D} -2 *2 C 0 {1,D} {3,S} -3 *3 O 0 {2,S} {4,S} -4 *4 C 0 {3,S} - -S_COH -1 *1 S 0 {2,D} -2 *2 C 0 {1,D} {3,S} -3 *3 O 0 {2,S} {4,S} -4 *4 H 0 {3,S} - -S_Cds/HOH -1 *1 S 0 {2,D} -2 *2 C 0 {1,D} {3,S} {5,S} -3 *3 O 0 {2,S} {4,S} -4 *4 H 0 {3,S} -5 H 0 {2,S} - -S_Cds/CsOH -1 *1 S 0 {2,D} -2 *2 C 0 {1,D} {3,S} {5,S} -3 *3 O 0 {2,S} {4,S} -4 *4 H 0 {3,S} -5 Cs 0 {2,S} - -S_Cds/CH3OH -1 *1 S 0 {2,D} -2 *2 C 0 {1,D} {3,S} {5,S} -3 *3 O 0 {2,S} {4,S} -4 *4 H 0 {3,S} -5 Cs 0 {2,S} {6,S} {7,S} {8,S} -6 H 0 {5,S} -7 H 0 {5,S} -8 H 0 {5,S} - -S_Cds/CH2CH3OH -1 *1 S 0 {2,D} -2 *2 C 0 {1,D} {3,S} {5,S} -3 *3 O 0 {2,S} {4,S} -4 *4 H 0 {3,S} -5 Cs 0 {2,S} {6,S} {7,S} {8,S} -6 Cs 0 {5,S} {9,S} {10,S} {11,S} -7 H 0 {5,S} -8 H 0 {5,S} -9 H 0 {6,S} -10 H 0 {6,S} -11 H 0 {6,S} - -S_COC -1 *1 S 0 {2,D} -2 *2 C 0 {1,D} {3,S} -3 *3 O 0 {2,S} {4,S} -4 *4 C 0 {3,S} - - diff --git a/output/RMG_database/kinetics_groups/ketoenol/forbiddenGroups.txt b/output/RMG_database/kinetics_groups/ketoenol/forbiddenGroups.txt deleted file mode 100644 index d3f5a12faa..0000000000 --- a/output/RMG_database/kinetics_groups/ketoenol/forbiddenGroups.txt +++ /dev/null @@ -1 +0,0 @@ - diff --git a/output/RMG_database/kinetics_groups/ketoenol/rateLibrary.txt b/output/RMG_database/kinetics_groups/ketoenol/rateLibrary.txt deleted file mode 100755 index db64eb10e7..0000000000 --- a/output/RMG_database/kinetics_groups/ketoenol/rateLibrary.txt +++ /dev/null @@ -1,12 +0,0 @@ -// rate library for f19: diels-Alder reaction - -Arrhenius_EP - -//No. cycloehexene Temp. A N a E0 DA Dn Da DE0 Rank Comments -1. R_ROR 300-1500 1.00E+05 2.00 0.0 50.0 0 0 0 0 0 A. G. Vandeputte, general rate -2. Cds/H2_Cds/CsOH 600-1500 2.05E+05 2.37 0.0 48.8 0 0 0 0 4 A. G. Vandeputte, CBS-QB3, HO -3. Cds/H2_Cds/HOH 600-1500 7.04E+03 2.66 0.0 48.8 0 0 0 0 4 A. G. Vandeputte, BMK/cbsb7, HO -4. S_Cds/HOH 300-2000 5.20E+01 3.26 0.0 19.97 0 0 0 0 3 calculated by CAC, CCSD(T)/vtz f12 -5. S_Cds/CH3OH 300-2000 1.04E+02 3.21 0.0 18.64 0 0 0 0 3 calculated by CAC, CCSD(T)/vtz f12 -6. S_Cds/CH2CH3OH 300-2000 8.75E+01 3.23 0.0 18.85 0 0 0 0 3 calculated by CAC, CCSD(T)/vtz f12 - diff --git a/output/RMG_database/kinetics_groups/ketoenol/reactionAdjList.txt b/output/RMG_database/kinetics_groups/ketoenol/reactionAdjList.txt deleted file mode 100755 index 35650fc64c..0000000000 --- a/output/RMG_database/kinetics_groups/ketoenol/reactionAdjList.txt +++ /dev/null @@ -1,27 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// AG Vandeputte, Nov 10, 2013 // -// // -////////////////////////////////////////////////////// - - -// f36 ketoenol -// I called this reaction family ketoenol but I do not want to restrict this -// to only enols!, also C groups can migrate!!! - -R_ROR -> keton - -forward -reverse(f36): none - -Actions 1 -(1) CHANGE_BOND {*1,-1,*2} -(2) CHANGE_BOND {*2,1,*3} -(3) BREAK_BOND {*3,S,*4} -(4) FORM_BOND {*4,S,*1} - - - - diff --git a/output/RMG_database/kinetics_groups/ketoenol/tree.txt b/output/RMG_database/kinetics_groups/ketoenol/tree.txt deleted file mode 100755 index a4f09990bf..0000000000 --- a/output/RMG_database/kinetics_groups/ketoenol/tree.txt +++ /dev/null @@ -1,25 +0,0 @@ -//F36 ketoenol - -L1: R_ROR - L2: C_COH - L3: Cds/H2_Cds/ROH - L4: Cds/H2_Cds/HOH - L4: Cds/H2_Cds/CsOH - L3: Cds/CsH_Cds/ROH - L4: Cds/CsH_Cds/HOH - L4: Cds/CsH_Cds/CsOH - L3: Cds/CsCs_Cds/ROH - L4: Cds/CsCs_Cds/HOH - L4: Cds/CsCs_Cds/CsOH - - L2: C_COC - L2: S_COH - L3: S_Cds/HOH - L3: S_Cds/CsOH - L4: S_Cds/CH3OH - L4: S_Cds/CH2CH3OH - L2: S_COC - - - - diff --git a/output/RMG_database/kinetics_libraries/Dooley/C1/pdepreactions.txt b/output/RMG_database/kinetics_libraries/Dooley/C1/pdepreactions.txt deleted file mode 100644 index 4d801b71a0..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/C1/pdepreactions.txt +++ /dev/null @@ -1,121 +0,0 @@ -// CFG from Glarborg - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - -// C0 - -H2+M = H+H+M 4.577E+19 -1.40 1.0438E+05 0.0 0.0 0.0 - H2/2.5/ H2O/12/ - CO/1.9/ CO2/3.8/ - AR/0.0/ HE/0.0/ - -O+O+M = O2+M 6.165E+15 -0.50 0.000E+00 0.0 0.0 0.0 - H2/2.5/ H2O/12/ - AR/0.0/ HE/0.0/ - CO/1.9/ CO2/3.8/ - -O+H+M = OH+M 4.714E+18 -1.00 0.000E+00 0.0 0.0 0.0 - H2/2.5/ H2O/12/ - AR/0.75/ HE/0.75/ - CO/1.9/ CO2/3.8/ - -H+OH+M = H2O+M 3.800E+22 -2.00 0.000E+00 0.0 0.0 0.0 - H2/2.5/ H2O/12/ - AR/0.38/ HE/0.38/ - CO/1.9/ CO2/3.8/ - -// MAIN BATH GAS IS N2 (COMMENT THIS REACTION OTHERWISE) -H+O2(+M) = HO2(+M) 1.475E+12 0.60 0.000E+00 0.0 0.0 0.0 - H2/2.0/ H2O/11./ O2/0.78/ CO/1.9/ CO2/3.8/ - LOW/6.366E+20 -1.72 5.248E+02/ - TROE/0.8 1E-30 1E+30/ - -// MAIN BATH GAS IS AR OR HE (COMMENT THIS REACTION OTHERWISE) -//H+O2(+M) = HO2(+M) 1.475E+12 0.60 0.000E+00 0.0 0.0 0.0 -// LOW/9.042E+19 -1.50 4.922E+02/ -// TROE/0.5 1E-30 1E+30/ -// H2/3.0/ H2O/16/ O2/1.1/ CO/2.7/ CO2/5.4/ HE/1.2/ - -H2O2(+M) = OH+OH(+M) 2.951E+14 0.00 4.843E+04 0.0 0.0 0.0 - H2/2.5/ H2O/12/ - CO/1.9/ CO2/3.8/ - AR/0.64/ HE/0.64/ - LOW/1.202E+17 0.00 4.550E+04/ - TROE/0.5 1E-30 1E+30/ - - -// C1 -CO+O(+M) = CO2(+M) 1.800E+10 0.00 2.384E+03 0.0 0.0 0.0 - H2/2.5/ H2O/12/ AR/0.87/ CO/1.9/ CO2/3.8/ - LOW/1.550E+24 -2.79 4.191E+03/ - -HCO+M = H+CO+M 4.7485E+11 0.659 1.4874E+04 0.0 0.0 0.0 - H2/2.5/ H2O/6/ CO/1.9/ CO2/3.8/ - -CH2O + M = HCO + H + M 3.300E+39 -6.30 9.990E+04 0.0 0.0 0.0 - H2/2.5/ H2O/12.0/ CO/1.9/ CO2/3.8/ AR/0.7/ - -CH2O + M = CO + H2 + M 3.100E+45 -8.00 9.751E+04 0.0 0.0 0.0 - H2/2.5/ H2O/12.0/ CO/1.9/ CO2/3.8/ AR/0.7/ - -CH3+CH3(+M) = C2H6(+M) 2.277E+15 -0.69 1.7486E+02 0.0 0.0 0.0 - H2O/5/ CO/2/ CO2/3/ - LOW/8.054E+31 -3.75 9.816E+02/ - TROE/0.0 570.0 1E-10 1.E+30/ - -CH3+H(+M) = CH4(+M) 1.270E+16 -0.630 3.830E+02 0.0 0.0 0.0 - H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ - LOW / 2.477E+33 -4.760 2440.00/ - TROE/ 0.7830 74.00 2941.00 6964.00 / - -OH+CH3(+M) = CH3OH(+M) 2.790E+18 -1.43 1.330E+03 0.0 0.0 0.0 - H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - LOW / 4.000E+36 -5.920 3140.00/ - TROE/ .4120 195.0 5900.00 6394.00/ - -H+CH2OH(+M) = CH3OH(+M) 1.055E+12 0.50 8.600E+01 0.0 0.0 0.0 - H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - LOW / 4.360E+31 -4.650 5080.00/ - TROE/ .600 100.00 90000.0 10000.0 / - -H+CH3O(+M) = CH3OH(+M) 2.430E+12 0.515 5.000E+01 0.0 0.0 0.0 - H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - LOW / 4.660E+41 -7.440 14080.0/ - TROE/ .700 100.00 90000.0 10000.00 / - -CH2(S)+H2O(+M) = CH3OH(+M) 4.820E+17 -1.16 1.145E+03 0.0 0.0 0.0 - H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - LOW / 1.880E+38 -6.360 5040.00/ - TROE/ .6027 208.00 3922.00 10180.0 / - -CH2+H(+M) = CH3(+M) 2.500E+16 -0.80 0.000E+00 0.0 0.0 0.0 - H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ - LOW / 3.200E+27 -3.140 1230.00/ - TROE/ 0.6800 78.00 1995.00 5590.00 / - -CH2+CO(+M) = CH2CO(+M) 8.100E+11 0.50 4.510E+03 0.0 0.0 0.0 - H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ - LOW / 2.690E+33 -5.110 7095.00/ - TROE/ 0.5907 275.00 1226.00 5185.00 / - -CH2(S)+M = CH2+M 9.000E+12 0.00 6.000E+02 0.0 0.0 0.0 - H2O/0.0/ CO/0.0/ CO2/0.0/ AR/0.0/ - -H+CO2+M = OCHO+M 7.500E+13 0.00 2.900E+04 0.0 0.0 0.0 - -CH2OH+M = CH2O+H+M 1.000E+14 0.00 2.510E+04 0.0 0.0 0.0 - -CH3O+M = CH2O+H+M 8.300E+17 -1.20 1.550E+04 0.0 0.0 0.0 - -HCOOH+M = CO+H2O+M 2.300E+13 0.00 5.000E+04 0.0 0.0 0.0 -HCOOH+M = CO2+H2+M 1.500E+16 0.00 5.700E+04 0.0 0.0 0.0 - - - - - - diff --git a/output/RMG_database/kinetics_libraries/Dooley/C1/reactions.txt b/output/RMG_database/kinetics_libraries/Dooley/C1/reactions.txt deleted file mode 100644 index a3c441eed0..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/C1/reactions.txt +++ /dev/null @@ -1,261 +0,0 @@ - -// CFG - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - - - -// Dryer -// -// **************************************************************************** -// H2/O2 MECHANISM OF LI ET AL. IJCK 36:565 (2004) * -// ***************************************************************************** -// - -H+O2 = O+OH 3.547E+15 -0.406 1.6599E+04 0.0 0.0 0.0 -O+H2 = H+OH 0.508E+05 2.67 0.629E+04 0.0 0.0 0.0 -H2+OH = H2O+H 0.216E+09 1.51 0.343E+04 0.0 0.0 0.0 -O+H2O = OH+OH 2.970E+06 2.02 1.340E+04 0.0 0.0 0.0 -//H2+AR = H+H+AR 5.840E+18 -1.10 1.0438E+05 0.0 0.0 0.0 -//H2+HE = H+H+HE 5.840E+18 -1.10 1.0438E+05 0.0 0.0 0.0 - -HO2+H = H2+O2 1.66E+13 0.00 0.823E+03 0.0 0.0 0.0 -HO2+H = OH+OH 7.079E+13 0.00 2.950E+02 0.0 0.0 0.0 -HO2+O = O2+OH 3.250E+13 0.00 0.000E+00 0.0 0.0 0.0 -HO2+OH = H2O+O2 2.890E+13 0.00 -4.970E+02 0.0 0.0 0.0 -HO2+HO2 = H2O2+O2 4.200E+14 0.00 1.1982E+04 0.0 0.0 0.0 - DUPLICATE -HO2+HO2 = H2O2+O2 1.300E+11 0.00 -1.6293E+03 0.0 0.0 0.0 - DUPLICATE -H2O2+H = H2O+OH 2.410E+13 0.00 3.970E+03 0.0 0.0 0.0 -H2O2+H = HO2+H2 4.820E+13 0.00 7.950E+03 0.0 0.0 0.0 -H2O2+O = OH+HO2 9.550E+06 2.00 3.970E+03 0.0 0.0 0.0 -H2O2+OH = HO2+H2O 1.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - DUPLICATE -H2O2+OH = HO2+H2O 5.800E+14 0.00 9.557E+03 0.0 0.0 0.0 - DUPLICATE - - -// -// ***************************************************************************** -// //!**************************** CO/HCO REACTIONS ************************* * -// ***************************************************************************** -// - - -CO+O2 = CO2+O 2.530E+12 0.00 4.770E+04 0.0 0.0 0.0 -CO+HO2 = CO2+OH 3.010E+13 0.00 2.300E+04 0.0 0.0 0.0 -CO+OH = CO2+H 2.229E+05 1.89 -1.1587E+03 0.0 0.0 0.0 -HCO+O2 = CO+HO2 7.580E+12 0.00 4.100E+02 0.0 0.0 0.0 -HCO+H = CO+H2 7.230E+13 0.00 0.000E+00 0.0 0.0 0.0 -HCO+O = CO+OH 3.020E+13 0.00 0.000E+00 0.0 0.0 0.0 -HCO+OH = CO+H2O 3.020E+13 0.00 0.000E+00 0.0 0.0 0.0 -HCO+O = CO2+H 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -HCO+HO2 = CO2+OH+H 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -HCO+CH3 = CO+CH4 2.650E+13 0.00 0.000E+00 0.0 0.0 0.0 -HCO+HCO = H2+CO+CO 3.000E+12 0.00 0.000E+00 0.0 0.0 0.0 -HCO+HCO = CH2O+CO 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -HCO+O2 = O2CHO 1.2E+11 0.00 -1100.0 0.0 0.0 0.0 -CH2O+O2CHO = HCO+HO2CHO 1.990E+12 0.00 1.166E+04 0.0 0.0 0.0 -HO2CHO = OCHO+OH 5.010E+14 0.00 4.015E+04 0.0 0.0 0.0 -//H+CO2+M = OCHO+M 7.500E+13 0.00 2.900E+04 0.0 0.0 0.0 - -// -// ***************************************************************************** -// !**************************** CH2O REACTIONS ************************* * -// ***************************************************************************** -// - -CH2O + H = HCO + H2 5.740E+07 1.90 2.7486E+03 0.0 0.0 0.0 -CH2O + O = HCO + OH 1.810E+13 0.00 3.080E+03 0.0 0.0 0.0 -CH2O + OH = HCO + H2O 3.430E+09 1.18 -4.470E+02 0.0 0.0 0.0 -CH2O + O2 = HCO + HO2 1.230E+06 3.00 5.200E+04 0.0 0.0 0.0 -CH2O + HO2 = HCO + H2O2 4.110E+04 2.50 1.021E+04 0.0 0.0 0.0 -CH2O+CH3 = HCO+CH4 3.636E-06 5.42 9.980E+02 0.0 0.0 0.0 -CH2O+HO2 = OCH2O2H 1.500E+11 0.00 1.190E+04 0.0 0.0 0.0 -OCH2O2H = HOCH2O2 3.000E+11 0.00 8.600E+03 0.0 0.0 0.0 -HOCH2O2+HO2 = HOCH2O2H+O2 3.500E+10 0.00 -3.275E+03 0.0 0.0 0.0 -HOCH2O+OH = HOCH2O2H 1.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - - -// -// ***************************************************************************** -// !**************************** CH3 REACTIONS ************************* * -// ***************************************************************************** -// - -CH3+O = CH2O+H 8.430E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3+O2 = CH3O+O 1.990E+18 -1.57 2.923E+04 0.0 0.0 0.0 -CH3+O2 = CH2O+OH 3.510E-01 3.524 7.380E+03 0.0 0.0 0.0 -CH3+HO2 = CH3O+OH 2.410E+10 0.76 -2.325E+03 0.0 0.0 0.0 -CH4+H = CH3+H2 5.470E+07 1.97 1.121E+04 0.0 0.0 0.0 -CH4+O = CH3+OH 3.150E+12 0.50 1.029E+04 0.0 0.0 0.0 -CH4+OH = CH3+H2O 5.720E+06 1.96 2.639E+03 0.0 0.0 0.0 -CH3+HO2 = CH4+O2 3.160E+12 0.00 0.000E+00 0.0 0.0 0.0 -CH4+HO2 = CH3+H2O2 1.810E+11 0.00 1.858E+04 0.0 0.0 0.0 -CH3+CH3OH = CH4+CH3O 1.440E+01 3.10 6.935E+03 0.0 0.0 0.0 - -// -// ***************************************************************************** -// !**************************** CH3O REACTIONS ************************* * -// ***************************************************************************** -// - -CH3O+CH3 = CH2O+CH4 1.200E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3O+H = CH2O+H2 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3O2+CH2O = CH3O2H+HCO 1.990E+12 0.00 1.166E+04 0.0 0.0 0.0 -CH4+CH3O2 = CH3+CH3O2H 1.810E+11 0.00 1.848E+04 0.0 0.0 0.0 -CH3OH+CH3O2 = CH2OH+CH3O2H 1.810E+12 0.00 1.371E+04 0.0 0.0 0.0 -CH3O2+CH3 = CH3O+CH3O 5.080E+12 0.00 -1.411E+03 0.0 0.0 0.0 -CH3O2+HO2 = CH3O2H+O2 2.470E+11 0.00 -1.570E+03 0.0 0.0 0.0 -CH3O2+CH3O2 = CH2O+CH3OH+O2 3.110E+14 -1.61 -1.051E+03 0.0 0.0 0.0 -CH3O2+CH3O2 = O2+CH3O+CH3O 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 -CH3O2+H = CH3O+OH 9.600E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3O2+O = CH3O+O2 3.600E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3O2+OH = CH3OH+O2 6.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3O2H = CH3O+OH 6.310E+14 0.00 4.230E+04 0.0 0.0 0.0 - - -// -// ***************************************************************************** -// !**************************** CH2OH REACTIONS ************************* * -// ***************************************************************************** -// - -//CH2OH+M = CH2O+H+M 1.000E+14 0.00 2.510E+04 0.0 0.0 0.0 -CH2OH+H = CH2O+H2 6.000E+12 0.00 0.000E+00 0.0 0.0 0.0 -CH2OH+H = CH3+OH 9.635E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2OH+O = CH2O+OH 4.200E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2OH+OH = CH2O+H2O 2.400E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2OH+O2 = CH2O+HO2 2.410E+14 0.00 5.017E+03 0.0 0.0 0.0 - DUPLICATE -CH2OH+O2 = CH2O+HO2 1.510E+15 -1.00 0.000E+00 0.0 0.0 0.0 - DUPLICATE -CH2OH+HO2 = CH2O+H2O2 1.200E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2OH+HCO = CH3OH+CO 1.000E+13 0.00 0.000E+0 0.0 0.0 0.0 -CH2OH+HCO = CH2O+CH2O 1.500E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2OH+CH2OH = CH3OH+CH2O 3.000E+12 0.00 0.000E+00 0.0 0.0 0.0 -CH2OH+CH3O = CH3OH+CH2O 2.400E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2OH+HO2 = HOCH2O+OH 1.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// -// ***************************************************************************** -// !**************************** CH3O REACTIONS ************************* * -// ***************************************************************************** -// - -//CH3O+M = CH2O+H+M 8.300E+17 -1.20 1.550E+04 0.0 0.0 0.0 -CH3O+H = CH3+OH 3.200E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3O+O = CH2O+OH 6.000E+12 0.00 0.000E+00 0.0 0.0 0.0 -CH3O+OH = CH2O+H2O 1.800E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3O+O2 = CH2O+HO2 9.033E+13 0.00 1.198E+04 0.0 0.0 0.0 - DUPLICATE -CH3O+O2 = CH2O+HO2 2.200E+10 0.00 1.748E+03 0.0 0.0 0.0 - DUPLICATE -CH3O+HO2 = CH2O+H2O2 3.000E+11 0.00 0.000E+00 0.0 0.0 0.0 -CH3O+CO = CH3+CO2 1.600E+13 0.00 1.180E+04 0.0 0.0 0.0 -CH3O+HCO = CH3OH+CO 9.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3O+CH3O = CH3OH+CH2O 6.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - - -// -// ***************************************************************************** -// !**************************** CH3OH REACTIONS ************************* * -// ***************************************************************************** -// - - -CH3OH+H = CH2OH+H2 3.200E+13 0.00 6.095E+03 0.0 0.0 0.0 -CH3OH+H = CH3O+H2 8.000E+12 0.00 6.095E+03 0.0 0.0 0.0 -CH3OH+O = CH2OH+OH 3.880E+05 2.50 3.080E+03 0.0 0.0 0.0 -CH3OH+OH = CH3O+H2O 1.000E+06 2.10 4.967E+02 0.0 0.0 0.0 -CH3OH+OH = CH2OH+H2O 7.100E+06 1.80 -5.960E+02 0.0 0.0 0.0 -CH3OH+O2 = CH2OH+HO2 2.050E+13 0.00 4.490E+04 0.0 0.0 0.0 -CH3OH+HCO = CH2OH+CH2O 9.635E+03 2.90 1.311E+04 0.0 0.0 0.0 -CH3OH+HO2 = CH2OH+H2O2 3.980E+13 0.00 1.940E+04 0.0 0.0 0.0 -CH3OH+CH3 = CH2OH+CH4 3.190E+01 3.17 7.172E+03 0.0 0.0 0.0 -CH3O+CH3OH = CH3OH+CH2OH 3.000E+11 0.00 4.060E+03 0.0 0.0 0.0 - - -CH3+CH3 = H+C2H5 4.990E+12 0.10 1.060E+04 0.0 0.0 0.0 -CH4+CH2 = CH3+CH3 2.460E+06 2.00 8.270E+03 0.0 0.0 0.0 -CH4+CH2(S) = CH3+CH3 1.600E+13 0.00 -5.700E+02 0.0 0.0 0.0 -CH3+OH = CH2+H2O 5.600E+07 1.60 5.420E+03 0.0 0.0 0.0 -CH3+OH = CH2(S)+H2O 2.501E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3+CH2 = C2H4+H 4.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3+CH2(S) = C2H4+H 1.200E+13 0.00 -5.700E+02 0.0 0.0 0.0 -CH3O+H = CH2(S)+H2O 1.600E+13 0.00 0.000E+00 0.0 0.0 0.0 - - - -// -// ***************************************************************************** -// !**************************** CH/CH2/CH2(S) REACTIONS ****************** * -// ***************************************************************************** -// - -CH2+O = HCO+H 8.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2+OH = CH2O+H 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2+H2 = H+CH3 5.000E+05 2.00 7.230E+03 0.0 0.0 0.0 -CH2+O2 = HCO+OH 1.320E+13 0.00 1.500E+03 0.0 0.0 0.0 -CH2+HO2 = CH2O+OH 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -CH2+CH2 = C2H2+H2 3.200E+13 0.00 0.000E+00 0.0 0.0 0.0 - - -CH2(S)+H2O = CH2+H2O 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+CO = CH2+CO 9.000E+12 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+CO2 = CH2+CO2 7.000E+12 0.00 0.000E+00 0.0 0.0 0.0 -//CH2(S)+AR = CH2+AR 9.000E+12 0.00 6.000E+02 0.0 0.0 0.0 -// !CH2(S)+H = CH+H2 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+O = CO+H2 1.500E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+O = HCO+H 1.500E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+OH = CH2O+H 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+H2 = CH3+H 7.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+O2 = H+OH+CO 2.800E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+O2 = CO+H2O 1.200E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+CO2 = CH2O+CO 1.400E+13 0.00 0.000E+00 0.0 0.0 0.0 - -CH2(S)+H = CH+H2 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2+H = CH+H2 1.000E+18 -1.56 0.000E+00 0.0 0.0 0.0 - DUP -CH2+H = CH+H2 2.700E+11 0.67 2.570E+04 0.0 0.0 0.0 - DUP -CH2+OH = CH+H2O 1.130E+07 2.00 3.000E+03 0.0 0.0 0.0 -CH+O2 = HCO+O 3.300E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH+H = C+H2 5.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH+O = CO+H 5.700E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH+OH = HCO+H 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH+H2O = H+CH2O 1.713E+13 0.00 -7.550E+02 0.0 0.0 0.0 -CH+CO2 = HCO+CO 1.700E+12 0.00 6.850E+02 0.0 0.0 0.0 - - -// -// ***************************************************************************** -// !**************************** Formic Acid REACTIONS ****************** * -// ***************************************************************************** -// - -HOCH2O = HCOOH+H 1.000E+14 0.00 1.490E+04 0.0 0.0 0.0 -CH2O+OH = HOCH2O 4.500E+15 -1.11 0.000E+00 0.0 0.0 0.0 -//HCOOH+M = CO+H2O+M 2.300E+13 0.00 5.000E+04 0.0 0.0 0.0 -//HCOOH+M = CO2+H2+M 1.500E+16 0.00 5.700E+04 0.0 0.0 0.0 -HCOOH = HCO+OH 4.593E+18 -0.46 1.083E+05 0.0 0.0 0.0 -HCOOH+OH = H2O+CO2+H 2.620E+06 2.06 9.160E+02 0.0 0.0 0.0 -HCOOH+OH = H2O+CO+OH 1.850E+07 1.51 -9.620E+02 0.0 0.0 0.0 -HCOOH+H = H2+CO2+H 4.240E+06 2.10 4.868E+03 0.0 0.0 0.0 -HCOOH+H = H2+CO+OH 6.030E+13 -0.35 2.988E+03 0.0 0.0 0.0 -HCOOH+CH3 = CH4+CO+OH 3.900E-07 5.80 2.200E+03 0.0 0.0 0.0 -HCOOH+HO2 = H2O2+CO+OH 1.000E+12 0.00 1.192E+04 0.0 0.0 0.0 -HCOOH+O = CO+OH+OH 1.770E+18 -1.90 2.975E+03 0.0 0.0 0.0 - - -// -// ***************************************************************************** -// !************************** C2H6 REACTIONS ****************** * -// ***************************************************************************** -// \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/Dooley/C1/remove_unused_species.py b/output/RMG_database/kinetics_libraries/Dooley/C1/remove_unused_species.py deleted file mode 100644 index 2bc86942c9..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/C1/remove_unused_species.py +++ /dev/null @@ -1,54 +0,0 @@ -#!/usr/bin/env python -# encoding: utf-8 -""" -remove_unused_species.py - -Created by Richard West on 2011-03-10. -Copyright (c) 2011 MIT. All rights reserved. -""" - -import sys -import os -import re -import fileinput - -species = set() -for line in fileinput.input(('reactions.txt','pdepreactions.txt')): - if (line.find(' = ') == -1): - continue - if (line.strip().startswith('//')): - continue - line = line.replace("(+M)","") - reactants, products = line.split(' = ') - products, junk = products.split(None, 1) - combined = "%s+%s"%(reactants,products) - for s in combined.split('+'): - species.add(s.strip()) - -print "These %d species listed in reactions.txt and pdepreactions.txt" % len(species) -for s in species: - print s - -print "Copying the species.txt file, removing redundant species" - -outfile = file('species.new.txt','w') -infile = file('species.txt') -for line in infile: - if (line.strip().startswith('//')): - continue - if (line.strip()==''): - continue - s = line.strip() - try: - if (s in species): - while (line.strip()!=''): - outfile.write(line.strip()+'\n') - line = infile.next() - outfile.write('\n') - else: - print "Skipping %s"%s - while (line.strip()!=''): - line = infile.next() - except StopIteration: - break -outfile.close() \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/Dooley/C1/species.txt b/output/RMG_database/kinetics_libraries/Dooley/C1/species.txt deleted file mode 100644 index 274d81e018..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/C1/species.txt +++ /dev/null @@ -1,154 +0,0 @@ -// Species for Dryer / Curran Mechanism -// Edited by CFG - -H -1 H 1 - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -C -1 C 4 - -CH -1 C 3 - -CH2(S) -1 C 2S - -CH2 -1 C 2T - -CH3 -1 C 1 - -CH4 -1 C 0 - -O -1 O 2T - -OH -1 O 1 - -H2O -1 O 0 - -CO -1 C 2T {2,D} -2 O 0 {1,D} - -HCO -1 C 1 {2,D} -2 O 0 {1,D} - -CH2O -1 C 0 {2,D} -2 O 0 {1,D} - -CH3O -1 C 0 {2,S} -2 O 1 {1,S} - -CH2OH -1 C 1 {2,S} -2 O 0 {1,S} - -CH3OH -1 C 0 {2,S} -2 O 0 {1,S} - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - -HO2 -1 O 1 {2,S} -2 O 0 {1,S} - -H2O2 -1 O 0 {2,S} -2 O 0 {1,S} - -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -O2CHO -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 O 1 {3,S} - -HO2CHO -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 O 0 {3,S} - -OCHO -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 1 {1,S} - -OCH2O2H -1 O 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - -HOCH2O2 -1 C 0 {2,S} {3,S} -2 O 0 {1,S} -3 O 0 {1,S} {4,S} -4 O 1 {3,S} - -HOCH2O2H -1 C 0 {2,S} {3,S} -2 O 0 {1,S} -3 O 0 {1,S} {4,S} -4 O 0 {3,S} - -HOCH2O -1 C 0 {2,S} {3,S} -2 O 0 {1,S} -3 O 1 {1,S} - -C2H6 -1 C 0 {2,S} -2 C 0 {1,S} - -CH3O2 -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 1 {2,S} - -CH3O2H -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} - -C2H5 -1 C 1 {2,S} -2 C 0 {1,S} - -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - -HCOOH -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} - -CH2CO -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -C2H2 -1 C 0 {2,T} -2 C 0 {1,T} - diff --git a/output/RMG_database/kinetics_libraries/Dooley/README.txt b/output/RMG_database/kinetics_libraries/Dooley/README.txt deleted file mode 100644 index 81aaa710f3..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/README.txt +++ /dev/null @@ -1,13 +0,0 @@ -This folder contains models derived from the supplementary material of the -following paper: - -Methyl formate oxidation: Speciation data, laminar burning velocities, ignition delay times, and a validated chemical kinetic model -by: S. Dooley, M. P. Burke, M. Chaos, Y. Stein, F. L. Dryer, V. P. Zhukov, O. Finch, J. M. Simmie, H. J. Curran -Int. J. Chem. Kinet., Vol. 42, No. 9. (2010), pp. 527-549. -http://dx.doi.org/10.1002/kin.20512 - - * C1 contains just the C0-C1 chemistry - * methylformate additionally contains some (but not all) of the other reactions. - * methylformate_2 also contains some (but perhaps different?) of the methylformate-specific reactions, as transcribed independently by Shamel. - * methylformate_all_ARHEbathgas contains the entire model from the above paper, transcribed by Michael Harper, for Ar or He bath gas. - * methylformate_all_N2bathgas contains the entire model from the above paper, transcribed by Michael Harper, for Nitrogen bath gas. diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate/pdepreactions.txt b/output/RMG_database/kinetics_libraries/Dooley/methylformate/pdepreactions.txt deleted file mode 100644 index cb9609dda4..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate/pdepreactions.txt +++ /dev/null @@ -1,243 +0,0 @@ -// CFG - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - -// C0 - -H2+M = H+H+M 4.577E+19 -1.40 1.0438E+05 0.0 0.0 0.0 - H2/2.5/ H2O/12/ - CO/1.9/ CO2/3.8/ - AR/0.0/ HE/0.0/ - -O+O+M = O2+M 6.165E+15 -0.50 0.000E+00 0.0 0.0 0.0 - H2/2.5/ H2O/12/ - AR/0.0/ HE/0.0/ - CO/1.9/ CO2/3.8/ - -O+H+M = OH+M 4.714E+18 -1.00 0.000E+00 0.0 0.0 0.0 - H2/2.5/ H2O/12/ - AR/0.75/ HE/0.75/ - CO/1.9/ CO2/3.8/ - -H+OH+M = H2O+M 3.800E+22 -2.00 0.000E+00 0.0 0.0 0.0 - H2/2.5/ H2O/12/ - AR/0.38/ HE/0.38/ - CO/1.9/ CO2/3.8/ - -// MAIN BATH GAS IS N2 (COMMENT THIS REACTION OTHERWISE) -H+O2(+M) = HO2(+M) 1.475E+12 0.60 0.000E+00 0.0 0.0 0.0 - H2/2.0/ H2O/11./ O2/0.78/ CO/1.9/ CO2/3.8/ - LOW/6.366E+20 -1.72 5.248E+02/ - TROE/0.8 1E-30 1E+30/ - -// MAIN BATH GAS IS AR OR HE (COMMENT THIS REACTION OTHERWISE) -//H+O2(+M) = HO2(+M) 1.475E+12 0.60 0.000E+00 0.0 0.0 0.0 -// LOW/9.042E+19 -1.50 4.922E+02/ -// TROE/0.5 1E-30 1E+30/ -// H2/3.0/ H2O/16/ O2/1.1/ CO/2.7/ CO2/5.4/ HE/1.2/ - -H2O2(+M) = OH+OH(+M) 2.951E+14 0.00 4.843E+04 0.0 0.0 0.0 - H2/2.5/ H2O/12/ - CO/1.9/ CO2/3.8/ - AR/0.64/ HE/0.64/ - LOW/1.202E+17 0.00 4.550E+04/ - TROE/0.5 1E-30 1E+30/ - - -// C1 -CO+O(+M) = CO2(+M) 1.800E+10 0.00 2.384E+03 0.0 0.0 0.0 - H2/2.5/ H2O/12/ AR/0.87/ CO/1.9/ CO2/3.8/ - LOW/1.550E+24 -2.79 4.191E+03/ - -HCO+M = H+CO+M 4.7485E+11 0.659 1.4874E+04 0.0 0.0 0.0 - H2/2.5/ H2O/6/ CO/1.9/ CO2/3.8/ - -CH2O + M = HCO + H + M 3.300E+39 -6.30 9.990E+04 0.0 0.0 0.0 - H2/2.5/ H2O/12.0/ CO/1.9/ CO2/3.8/ AR/0.7/ - -CH2O + M = CO + H2 + M 3.100E+45 -8.00 9.751E+04 0.0 0.0 0.0 - H2/2.5/ H2O/12.0/ CO/1.9/ CO2/3.8/ AR/0.7/ - -CH3+CH3(+M) = C2H6(+M) 2.277E+15 -0.69 1.7486E+02 0.0 0.0 0.0 - H2O/5/ CO/2/ CO2/3/ - LOW/8.054E+31 -3.75 9.816E+02/ - TROE/0.0 570.0 1.E-10 1.E+30/ - -CH3+H(+M) = CH4(+M) 1.270E+16 -0.630 3.830E+02 0.0 0.0 0.0 - H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ - LOW / 2.477E+33 -4.760 2440.00/ - TROE/ 0.7830 74.00 2941.00 6964.00 / - -OH+CH3(+M) = CH3OH(+M) 2.790E+18 -1.43 1.330E+03 0.0 0.0 0.0 - H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - LOW / 4.000E+36 -5.920 3140.00/ - TROE/ .4120 195.0 5900.00 6394.00/ - -H+CH2OH(+M) = CH3OH(+M) 1.055E+12 0.50 8.600E+01 0.0 0.0 0.0 - H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - LOW / 4.360E+31 -4.650 5080.00/ - TROE/ .600 100.00 90000.0 10000.0 / - -H+CH3O(+M) = CH3OH(+M) 2.430E+12 0.515 5.000E+01 0.0 0.0 0.0 - H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - LOW / 4.660E+41 -7.440 14080.0/ - TROE/ .700 100.00 90000.0 10000.00 / - -CH2(S)+H2O(+M) = CH3OH(+M) 4.820E+17 -1.16 1.145E+03 0.0 0.0 0.0 - H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - LOW / 1.880E+38 -6.360 5040.00/ - TROE/ .6027 208.00 3922.00 10180.0 / - -CH2+H(+M) = CH3(+M) 2.500E+16 -0.80 0.000E+00 0.0 0.0 0.0 - H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ - LOW / 3.200E+27 -3.140 1230.00/ - TROE/ 0.6800 78.00 1995.00 5590.00 / - -CH2+CO(+M) = CH2CO(+M) 8.100E+11 0.50 4.510E+03 0.0 0.0 0.0 - H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ - LOW / 2.690E+33 -5.110 7095.00/ - TROE/ 0.5907 275.00 1226.00 5185.00 / - -CH2(S)+M = CH2+M 9.000E+12 0.00 6.000E+02 0.0 0.0 0.0 - H2O/0.0/ CO/0.0/ CO2/0.0/ AR/0.0/ - -H+CO2+M = OCHO+M 7.500E+13 0.00 2.900E+04 0.0 0.0 0.0 - -CH2OH+M = CH2O+H+M 1.000E+14 0.00 2.510E+04 0.0 0.0 0.0 - -CH3O+M = CH2O+H+M 8.300E+17 -1.20 1.550E+04 0.0 0.0 0.0 - -HCOOH+M = CO+H2O+M 2.300E+13 0.00 5.000E+04 0.0 0.0 0.0 -HCOOH+M = CO2+H2+M 1.500E+16 0.00 5.700E+04 0.0 0.0 0.0 - -// C2 - -C2H5+H(+M) = C2H6(+M) 5.210E+17 -0.99 1.580E+03 0.0 0.0 0.0 -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ -LOW / 1.9900E+41 -7.0800E+00 6.6850E+03 / -TROE / 8.4200E-01 1.2500E+02 2.2190E+03 6.8820E+03 / !TROE FALL-OFF REACTION - - -H+C2H4(+M) = C2H5(+M) 8.100E+11 0.454 1820.00 0.0 0.0 0.0 -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ - LOW / 9.000E+41 -7.620 6970.00/ - TROE/ .9753 210.00 984.00 4374.00 / - -CH3CO(+M) = CH3+CO(+M) 3.000E+12 0.00 1.672E+04 0.0 0.0 0.0 -LOW / 1.2000E+15 0.0000E+00 1.2518E+04 / - -CH3CO2+M = CH3+CO2+M 4.400E+15 0.00 1.050E+04 0.0 0.0 0.0 - -HCCO+M = CH+CO+M 6.500E+15 0.00 5.882E+04 0.0 0.0 0.0 - -C2H3+H(+M) = C2H4(+M) 1.360E+14 0.17 6.600E+02 0.0 0.0 0.0 -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ -LOW / 1.4000E+30 -3.8600E+00 3.3200E+03 / -TROE / 7.8200E-01 2.0750E+02 2.6630E+03 6.0950E+03 / - -C2H4(+M) = C2H2+H2(+M) 8.000E+12 0.44 8.877E+04 0.0 0.0 0.0 -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ -LOW / 1.5800E+51 -9.3000E+00 9.7800E+04 / -TROE / 7.3500E-01 1.8000E+02 1.0350E+03 5.4170E+03 / - -C2H2+H(+M) = C2H3(+M) 5.600E+12 0.00 2.400E+03 0.0 0.0 0.0 -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ -LOW / 3.8000E+40 -7.2700E+00 7.2200E+03 / -TROE / 7.5100E-01 9.8500E+01 1.3020E+03 4.1670E+03 / - -C2H+H(+M) = C2H2(+M) 1.000E+17 0.00 0.000E+00 0.0 0.0 0.0 -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ -LOW / 3.7500E+33 -4.8000E+00 1.9000E+03 / -TROE / 6.4600E-01 1.3200E+02 1.3150E+03 5.5660E+03 / - -C2H5OH(+M) = CH2OH+CH3(+M) 5.710E+23 -1.68 9.440E+04 0.0 0.0 0.0 -H2/2/ H2O/5/ CO/2/ CO2/3/ -LOW / 3.1100E+85 -1.8840E+01 1.1310E+05 / -TROE / 5.0000E-01 5.5000E+02 8.2500E+02 6.1000E+03 / - - -C2H5OH(+M) = C2H5+OH(+M) 2.400E+23 -1.62 9.954E+04 0.0 0.0 0.0 -H2/2/ H2O/5/ CO/2/ CO2/3/ -LOW / 5.1100E+85 -1.8800E+01 1.1877E+05 / -TROE / 5.0000E-01 6.5000E+02 8.0000E+02 1.0000E+15 / - -C2H5OH(+M) = C2H4+H2O(+M) 2.790E+13 0.09 6.614E+04 0.0 0.0 0.0 -H2O/5/ -LOW / 2.5700E+83 -1.8850E+01 8.6453E+04 / -TROE / 7.0000E-01 3.5000E+02 8.0000E+02 3.8000E+03 / - -C2H5OH(+M) = CH3CHO+H2(+M) 7.240E+11 0.10 9.101E+04 0.0 0.0 0.0 -H2O/5/ -LOW / 4.4600E+87 -1.9420E+01 1.1558E+05 / -TROE / 9.0000E-01 9.0000E+02 1.1000E+03 3.5000E+03 / - -SC2H4OH+M = CH3CHO+H+M 1.000E+14 0.00 2.500E+04 0.0 0.0 0.0 - -CH3COCH3(+M) = CH3CO+CH3(+M) 7.108E+21 -1.57 8.468E+04 0.0 0.0 0.0 -LOW / 7.0130E+89 -2.0380E+01 1.0715E+05 / -TROE / 8.6300E-01 1.0000E+10 4.1640E+02 3.2900E+09 / - -//!UNIMOLECULAR DECOMPOSITION OF DME (BATH GAS: N2) -CH3OCH3(+M) = CH3+CH3O(+M) 4.848E+21 -1.560 8.313E+04 0.0 0.0 0.0 -LOW / 1.118E+71 -1.4530E+01 1.0043E+05 / -TROE / 8.4300E-01 9.4900E+09 5.5636E+02 6.7100E+09 / - -C3H8(+M) = CH3+C2H5(+M) 1.290E+37 -5.84 9.738E+04 0.0 0.0 0.0 -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ -LOW / 5.6400E+74 -1.5740E+01 9.8714E+04 / -TROE / 3.1000E-01 5.0000E+01 3.0000E+03 9.0000E+03 / - -C3H5-A+H(+M) = C3H6(+M) 2.00E+14 0.0 0.0 0.0 0.0 0.0 -H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/ -LOW / 1.33E+60 -12.00 5967.8 / -TROE / 0.020 1096.6 1096.6 6859.5 / - -C2H3+CH3(+M) = C3H6(+M) 2.500E+13 0.0 0.0 0.0 0.0 0.0 -H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/C2H2/3.00/ C2H4/3.00/ -LOW / 4.270E+58 -11.940 9769.80/ -TROE / 0.175 1340.6 60000.0 10139.8 / - -C3H5-A+CH3(+M) = C4H8-1(+M) 1.00E+14 -0.32 -262.3 0.0 0.0 0.0 -H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/ -LOW / 3.91E+60 -12.81 6250.0 / -TROE / 0.104 1606.0 60000.0 6118.4 / - -////////////////////////////////////////////////////////// -// methyl formate bits - -CH3OCHO(+M) = CH3OH+CO(+M) 2.0E+13 0.0 6.0E+04 0.0 0.0 0.0 -H2/3.0/ H2O/6/ O2/1.1/ CO/2.7/ CO2/5.4/ HE/1.2/ -LOW/2.4E+59 -1.18E+01 7.14E+04/ -TROE/2.3991E-01 5.551095E+02 8.336781E+09 8.213938E+09/ - -CH3OCHO(+M) = CH4+CO2(+M) 1.5E+12 0.0 5.97E+04 0.0 0.0 0.0 -H2/3.0/ H2O/6/ O2/1.1/ CO/2.7/ CO2/5.4/ HE/1.2/ -LOW/5.63E+61 -1.279E+01 7.11E+04/ -TROE/1.794047E-01 3.575408E+02 9.918709E+09 3.289899E+09/ - -CH3OCHO(+M) = CH2O+CH2O(+M) 1.0E+12 0.0 6.05E+04 0.0 0.0 0.0 -H2/3.0/ H2O/6/ O2/1.1/ CO/2.7/ CO2/5.4/ HE/1.2/ -LOW/1.55000E+57 -1.15700E+01 7.17000E+04/ -TROE/ 7.807451E-01 6.490132E+09 6.187990E+02 6.710101E+09/ - -CH3OCHO(+M) = CH3 + OCHO(+M) 2.170E+24 -2.401 9.26E+04 0.0 0.0 0.0 -H2/3.0/ H2O/6/ O2/1.1/ CO/2.7/ CO2/5.4/ HE/1.2/ -LOW / 5.7100E+47 -8.4300E+00 9.8490E+04 / -TROE / 6.8932E-15 4.7341E+03 9.3302E+09 1.7860E+09 / - -CH3OCHO(+M) = CH3O + HCO(+M) 4.180E+16 0.0 9.70E+04 0.0 0.0 0.0 -H2/3.0/ H2O/6/ O2/1.1/ CO/2.7/ CO2/5.4/ HE/1.2/ -LOW / 5.2700E+63 -1.2320E+01 1.0918E+05 / -TROE / 8.9375E-01 7.4991E+09 6.4704E+02 6.6980E+08 / - - - - - - - - diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate/reactions.txt b/output/RMG_database/kinetics_libraries/Dooley/methylformate/reactions.txt deleted file mode 100644 index f7fdc15944..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate/reactions.txt +++ /dev/null @@ -1,2408 +0,0 @@ -// Complete Dryer / Curran mechanism for C1-C3 chemistry -// CFG - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - - - -// Dryer -// -// **************************************************************************** -// H2/O2 MECHANISM OF LI ET AL. IJCK 36:565 (2004) * -// ***************************************************************************** -// - -H+O2 = O+OH 3.547E+15 -0.406 1.6599E+04 0.0 0.0 0.0 -O+H2 = H+OH 0.508E+05 2.67 0.629E+04 0.0 0.0 0.0 -H2+OH = H2O+H 0.216E+09 1.51 0.343E+04 0.0 0.0 0.0 -O+H2O = OH+OH 2.970E+06 2.02 1.340E+04 0.0 0.0 0.0 -//H2+AR = H+H+AR 5.840E+18 -1.10 1.0438E+05 0.0 0.0 0.0 -//H2+HE = H+H+HE 5.840E+18 -1.10 1.0438E+05 0.0 0.0 0.0 - -HO2+H = H2+O2 1.66E+13 0.00 0.823E+03 0.0 0.0 0.0 -HO2+H = OH+OH 7.079E+13 0.00 2.950E+02 0.0 0.0 0.0 -HO2+O = O2+OH 3.250E+13 0.00 0.000E+00 0.0 0.0 0.0 -HO2+OH = H2O+O2 2.890E+13 0.00 -4.970E+02 0.0 0.0 0.0 -HO2+HO2 = H2O2+O2 4.200E+14 0.00 1.1982E+04 0.0 0.0 0.0 - DUPLICATE -HO2+HO2 = H2O2+O2 1.300E+11 0.00 -1.6293E+03 0.0 0.0 0.0 - DUPLICATE -H2O2+H = H2O+OH 2.410E+13 0.00 3.970E+03 0.0 0.0 0.0 -H2O2+H = HO2+H2 4.820E+13 0.00 7.950E+03 0.0 0.0 0.0 -H2O2+O = OH+HO2 9.550E+06 2.00 3.970E+03 0.0 0.0 0.0 -H2O2+OH = HO2+H2O 1.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - DUPLICATE -H2O2+OH = HO2+H2O 5.800E+14 0.00 9.557E+03 0.0 0.0 0.0 - DUPLICATE - - -// -// ***************************************************************************** -// //!**************************** CO/HCO REACTIONS ************************* * -// ***************************************************************************** -// - - -CO+O2 = CO2+O 2.530E+12 0.00 4.770E+04 0.0 0.0 0.0 -CO+HO2 = CO2+OH 3.010E+13 0.00 2.300E+04 0.0 0.0 0.0 -CO+OH = CO2+H 2.229E+05 1.89 -1.1587E+03 0.0 0.0 0.0 -HCO+O2 = CO+HO2 7.580E+12 0.00 4.100E+02 0.0 0.0 0.0 -HCO+H = CO+H2 7.230E+13 0.00 0.000E+00 0.0 0.0 0.0 -HCO+O = CO+OH 3.020E+13 0.00 0.000E+00 0.0 0.0 0.0 -HCO+OH = CO+H2O 3.020E+13 0.00 0.000E+00 0.0 0.0 0.0 -HCO+O = CO2+H 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -HCO+HO2 = CO2+OH+H 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -HCO+CH3 = CO+CH4 2.650E+13 0.00 0.000E+00 0.0 0.0 0.0 -HCO+HCO = H2+CO+CO 3.000E+12 0.00 0.000E+00 0.0 0.0 0.0 -HCO+HCO = CH2O+CO 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -HCO+O2 = O2CHO 1.2E+11 0.00 -1100.0 0.0 0.0 0.0 -CH2O+O2CHO = HCO+HO2CHO 1.990E+12 0.00 1.166E+04 0.0 0.0 0.0 -HO2CHO = OCHO+OH 5.010E+14 0.00 4.015E+04 0.0 0.0 0.0 -//H+CO2+M = OCHO+M 7.500E+13 0.00 2.900E+04 0.0 0.0 0.0 - -// -// ***************************************************************************** -// !**************************** CH2O REACTIONS ************************* * -// ***************************************************************************** -// - -CH2O + H = HCO + H2 5.740E+07 1.90 2.7486E+03 0.0 0.0 0.0 -CH2O + O = HCO + OH 1.810E+13 0.00 3.080E+03 0.0 0.0 0.0 -CH2O + OH = HCO + H2O 3.430E+09 1.18 -4.470E+02 0.0 0.0 0.0 -CH2O + O2 = HCO + HO2 1.230E+06 3.00 5.200E+04 0.0 0.0 0.0 -CH2O + HO2 = HCO + H2O2 4.110E+04 2.50 1.021E+04 0.0 0.0 0.0 -CH2O+CH3 = HCO+CH4 3.636E-06 5.42 9.980E+02 0.0 0.0 0.0 -CH2O+HO2 = OCH2O2H 1.500E+11 0.00 1.190E+04 0.0 0.0 0.0 -OCH2O2H = HOCH2O2 3.000E+11 0.00 8.600E+03 0.0 0.0 0.0 -HOCH2O2+HO2 = HOCH2O2H+O2 3.500E+10 0.00 -3.275E+03 0.0 0.0 0.0 -HOCH2O+OH = HOCH2O2H 1.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - - -// -// ***************************************************************************** -// !**************************** CH3 REACTIONS ************************* * -// ***************************************************************************** -// - -CH3+O = CH2O+H 8.430E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3+O2 = CH3O+O 1.990E+18 -1.57 2.923E+04 0.0 0.0 0.0 -CH3+O2 = CH2O+OH 3.510E-01 3.524 7.380E+03 0.0 0.0 0.0 -CH3+HO2 = CH3O+OH 2.410E+10 0.76 -2.325E+03 0.0 0.0 0.0 -CH4+H = CH3+H2 5.470E+07 1.97 1.121E+04 0.0 0.0 0.0 -CH4+O = CH3+OH 3.150E+12 0.50 1.029E+04 0.0 0.0 0.0 -CH4+OH = CH3+H2O 5.720E+06 1.96 2.639E+03 0.0 0.0 0.0 -CH3+HO2 = CH4+O2 3.160E+12 0.00 0.000E+00 0.0 0.0 0.0 -CH4+HO2 = CH3+H2O2 1.810E+11 0.00 1.858E+04 0.0 0.0 0.0 -CH3+CH3OH = CH4+CH3O 1.440E+01 3.10 6.935E+03 0.0 0.0 0.0 - -// -// ***************************************************************************** -// !**************************** CH3O REACTIONS ************************* * -// ***************************************************************************** -// - -CH3O+CH3 = CH2O+CH4 1.200E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3O+H = CH2O+H2 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3O2+CH2O = CH3O2H+HCO 1.990E+12 0.00 1.166E+04 0.0 0.0 0.0 -CH4+CH3O2 = CH3+CH3O2H 1.810E+11 0.00 1.848E+04 0.0 0.0 0.0 -CH3OH+CH3O2 = CH2OH+CH3O2H 1.810E+12 0.00 1.371E+04 0.0 0.0 0.0 -CH3O2+CH3 = CH3O+CH3O 5.080E+12 0.00 -1.411E+03 0.0 0.0 0.0 -CH3O2+HO2 = CH3O2H+O2 2.470E+11 0.00 -1.570E+03 0.0 0.0 0.0 -CH3O2+CH3O2 = CH2O+CH3OH+O2 3.110E+14 -1.61 -1.051E+03 0.0 0.0 0.0 -CH3O2+CH3O2 = O2+CH3O+CH3O 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 -CH3O2+H = CH3O+OH 9.600E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3O2+O = CH3O+O2 3.600E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3O2+OH = CH3OH+O2 6.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3O2H = CH3O+OH 6.310E+14 0.00 4.230E+04 0.0 0.0 0.0 - - -// -// ***************************************************************************** -// !**************************** CH2OH REACTIONS ************************* * -// ***************************************************************************** -// - -//CH2OH+M = CH2O+H+M 1.000E+14 0.00 2.510E+04 0.0 0.0 0.0 -CH2OH+H = CH2O+H2 6.000E+12 0.00 0.000E+00 0.0 0.0 0.0 -CH2OH+H = CH3+OH 9.635E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2OH+O = CH2O+OH 4.200E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2OH+OH = CH2O+H2O 2.400E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2OH+O2 = CH2O+HO2 2.410E+14 0.00 5.017E+03 0.0 0.0 0.0 - DUPLICATE -CH2OH+O2 = CH2O+HO2 1.510E+15 -1.00 0.000E+00 0.0 0.0 0.0 - DUPLICATE -CH2OH+HO2 = CH2O+H2O2 1.200E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2OH+HCO = CH3OH+CO 1.000E+13 0.00 0.000E+0 0.0 0.0 0.0 -CH2OH+HCO = CH2O+CH2O 1.500E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2OH+CH2OH = CH3OH+CH2O 3.000E+12 0.00 0.000E+00 0.0 0.0 0.0 -CH2OH+CH3O = CH3OH+CH2O 2.400E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2OH+HO2 = HOCH2O+OH 1.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// -// ***************************************************************************** -// !**************************** CH3O REACTIONS ************************* * -// ***************************************************************************** -// - -//CH3O+M = CH2O+H+M 8.300E+17 -1.20 1.550E+04 0.0 0.0 0.0 -CH3O+H = CH3+OH 3.200E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3O+O = CH2O+OH 6.000E+12 0.00 0.000E+00 0.0 0.0 0.0 -CH3O+OH = CH2O+H2O 1.800E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3O+O2 = CH2O+HO2 9.033E+13 0.00 1.198E+04 0.0 0.0 0.0 - DUPLICATE -CH3O+O2 = CH2O+HO2 2.200E+10 0.00 1.748E+03 0.0 0.0 0.0 - DUPLICATE -CH3O+HO2 = CH2O+H2O2 3.000E+11 0.00 0.000E+00 0.0 0.0 0.0 -CH3O+CO = CH3+CO2 1.600E+13 0.00 1.180E+04 0.0 0.0 0.0 -CH3O+HCO = CH3OH+CO 9.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3O+CH3O = CH3OH+CH2O 6.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - - -// -// ***************************************************************************** -// !**************************** CH3OH REACTIONS ************************* * -// ***************************************************************************** -// - - -CH3OH+H = CH2OH+H2 3.200E+13 0.00 6.095E+03 0.0 0.0 0.0 -CH3OH+H = CH3O+H2 8.000E+12 0.00 6.095E+03 0.0 0.0 0.0 -CH3OH+O = CH2OH+OH 3.880E+05 2.50 3.080E+03 0.0 0.0 0.0 -CH3OH+OH = CH3O+H2O 1.000E+06 2.10 4.967E+02 0.0 0.0 0.0 -CH3OH+OH = CH2OH+H2O 7.100E+06 1.80 -5.960E+02 0.0 0.0 0.0 -CH3OH+O2 = CH2OH+HO2 2.050E+13 0.00 4.490E+04 0.0 0.0 0.0 -CH3OH+HCO = CH2OH+CH2O 9.635E+03 2.90 1.311E+04 0.0 0.0 0.0 -CH3OH+HO2 = CH2OH+H2O2 3.980E+13 0.00 1.940E+04 0.0 0.0 0.0 -CH3OH+CH3 = CH2OH+CH4 3.190E+01 3.17 7.172E+03 0.0 0.0 0.0 -CH3O+CH3OH = CH3OH+CH2OH 3.000E+11 0.00 4.060E+03 0.0 0.0 0.0 - - -CH3+CH3 = H+C2H5 4.990E+12 0.10 1.060E+04 0.0 0.0 0.0 -CH4+CH2 = CH3+CH3 2.460E+06 2.00 8.270E+03 0.0 0.0 0.0 -CH4+CH2(S) = CH3+CH3 1.600E+13 0.00 -5.700E+02 0.0 0.0 0.0 -CH3+OH = CH2+H2O 5.600E+07 1.60 5.420E+03 0.0 0.0 0.0 -CH3+OH = CH2(S)+H2O 2.501E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3+CH2 = C2H4+H 4.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3+CH2(S) = C2H4+H 1.200E+13 0.00 -5.700E+02 0.0 0.0 0.0 -CH3O+H = CH2(S)+H2O 1.600E+13 0.00 0.000E+00 0.0 0.0 0.0 - - - -// -// ***************************************************************************** -// !**************************** CH/CH2/CH2(S) REACTIONS ****************** * -// ***************************************************************************** -// - -CH2+O = HCO+H 8.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2+OH = CH2O+H 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2+H2 = H+CH3 5.000E+05 2.00 7.230E+03 0.0 0.0 0.0 -CH2+O2 = HCO+OH 1.320E+13 0.00 1.500E+03 0.0 0.0 0.0 -CH2+HO2 = CH2O+OH 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -CH2+CH2 = C2H2+H2 3.200E+13 0.00 0.000E+00 0.0 0.0 0.0 - - -CH2(S)+H2O = CH2+H2O 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+CO = CH2+CO 9.000E+12 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+CO2 = CH2+CO2 7.000E+12 0.00 0.000E+00 0.0 0.0 0.0 -//CH2(S)+AR = CH2+AR 9.000E+12 0.00 6.000E+02 0.0 0.0 0.0 -// !CH2(S)+H = CH+H2 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+O = CO+H2 1.500E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+O = HCO+H 1.500E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+OH = CH2O+H 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+H2 = CH3+H 7.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+O2 = H+OH+CO 2.800E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+O2 = CO+H2O 1.200E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+CO2 = CH2O+CO 1.400E+13 0.00 0.000E+00 0.0 0.0 0.0 - -CH2(S)+H = CH+H2 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2+H = CH+H2 1.000E+18 -1.56 0.000E+00 0.0 0.0 0.0 - DUP -CH2+H = CH+H2 2.700E+11 0.67 2.570E+04 0.0 0.0 0.0 - DUP -CH2+OH = CH+H2O 1.130E+07 2.00 3.000E+03 0.0 0.0 0.0 -CH+O2 = HCO+O 3.300E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH+H = C+H2 5.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH+O = CO+H 5.700E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH+OH = HCO+H 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH+H2O = H+CH2O 1.713E+13 0.00 -7.550E+02 0.0 0.0 0.0 -CH+CO2 = HCO+CO 1.700E+12 0.00 6.850E+02 0.0 0.0 0.0 - - -// -// ***************************************************************************** -// !**************************** Formic Acid REACTIONS ****************** * -// ***************************************************************************** -// - -HOCH2O = HCOOH+H 1.000E+14 0.00 1.490E+04 0.0 0.0 0.0 -CH2O+OH = HOCH2O 4.500E+15 -1.11 0.000E+00 0.0 0.0 0.0 -//HCOOH+M = CO+H2O+M 2.300E+13 0.00 5.000E+04 0.0 0.0 0.0 -//HCOOH+M = CO2+H2+M 1.500E+16 0.00 5.700E+04 0.0 0.0 0.0 -HCOOH = HCO+OH 4.593E+18 -0.46 1.083E+05 0.0 0.0 0.0 -HCOOH+OH = H2O+CO2+H 2.620E+06 2.06 9.160E+02 0.0 0.0 0.0 -HCOOH+OH = H2O+CO+OH 1.850E+07 1.51 -9.620E+02 0.0 0.0 0.0 -HCOOH+H = H2+CO2+H 4.240E+06 2.10 4.868E+03 0.0 0.0 0.0 -HCOOH+H = H2+CO+OH 6.030E+13 -0.35 2.988E+03 0.0 0.0 0.0 -HCOOH+CH3 = CH4+CO+OH 3.900E-07 5.80 2.200E+03 0.0 0.0 0.0 -HCOOH+HO2 = H2O2+CO+OH 1.000E+12 0.00 1.192E+04 0.0 0.0 0.0 -HCOOH+O = CO+OH+OH 1.770E+18 -1.90 2.975E+03 0.0 0.0 0.0 - - -// -// ***************************************************************************** -// !************************** C2H6 REACTIONS ****************** * -// ***************************************************************************** -// - -C2H6+H = C2H5+H2 1.150E+08 1.90 7.530E+03 0.0 0.0 0.0 -C2H6+O = C2H5+OH 3.550E+06 2.40 5.830E+03 0.0 0.0 0.0 -C2H6+OH = C2H5+H2O 1.480E+07 1.90 9.500E+02 0.0 0.0 0.0 -C2H6+O2 = C2H5+HO2 6.030E+13 0.00 5.187E+04 0.0 0.0 0.0 -C2H6+CH3 = C2H5+CH4 1.510E-07 6.00 6.047E+03 0.0 0.0 0.0 -C2H6+HO2 = C2H5+H2O2 3.460E+01 3.61 1.692E+04 0.0 0.0 0.0 -C2H6+CH3O2 = C2H5+CH3O2H 1.940E+01 3.64 1.710E+04 0.0 0.0 0.0 -C2H6+CH3O = C2H5+CH3OH 2.410E+11 0.00 7.090E+03 0.0 0.0 0.0 -C2H6+CH = C2H5+CH2 1.100E+14 0.00 -2.600E+02 0.0 0.0 0.0 -CH2(S)+C2H6 = CH3+C2H5 1.200E+14 0.00 0.000E+00 0.0 0.0 0.0 -H2+CH3O2 = H+CH3O2H 1.500E+14 0.00 2.603E+04 0.0 0.0 0.0 -H2+C2H5O2 = H+C2H5O2H 1.500E+14 0.00 2.603E+04 0.0 0.0 0.0 -C2H4+C2H4 = C2H5+C2H3 4.820E+14 0.00 7.153E+04 0.0 0.0 0.0 -CH3+C2H5 = CH4+C2H4 1.180E+04 2.45 -2.921E+03 0.0 0.0 0.0 -C2H5+H = C2H4+H2 2.000E+12 0.00 0.000E+00 0.0 0.0 0.0 -C2H5+O = CH3CHO+H 1.100E+14 0.00 0.000E+00 0.0 0.0 0.0 -C2H5+HO2 = C2H5O+OH 1.100E+13 0.00 0.000E+00 0.0 0.0 0.0 - -CH3O2+C2H5 = CH3O+C2H5O 8.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -C2H5O+O2 = CH3CHO+HO2 4.280E+10 0.00 1.097E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM CURRAN ESTIMATE -//CH3+CH2O = C2H5O 3.000E+11 0.00 6.336E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 45//!1 461 (2008) -//!FROM CURRAN ESTIMATE -CH3CHO+H = C2H5O 8.000E+12 0.00 6.400E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//!J. PHYS. CHEM. A. 2003 107:4415-4427. -//!AT 10 ATM -C2H5+O2 = C2H5O2 2.876E+56 -13.82 1.462E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -C2H5O2+CH2O = C2H5O2H+HCO 1.990E+12 0.00 1.166E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!BASED ON CH4+CH3O2 -//!FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -CH4+C2H5O2 = CH3+C2H5O2H 1.810E+11 0.00 1.848E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//! TSANG, JPC REF. DATA, 16:471 (1987) -CH3OH+C2H5O2 = CH2OH+C2H5O2H 1.810E+12 0.00 1.371E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//! TSANG, JPC REF. DATA, 16:471 (1987) -C2H5O2+HO2 = C2H5O2H+O2 1.750E+10 0.00 -3.275E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM CARSTENSEN AND DEAN 30TH SYMPOSIUM -C2H6+C2H5O2 = C2H5+C2H5O2H 8.600E+00 3.76 1.720E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM CARSTENSEN AND DEAN 30TH SYMPOSIUM -C2H5O2H = C2H5O+OH 6.310E+14 0.00 4.230E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//!J. PHYS. CHEM. A. 2003 107:4415-4427. -//!AT 10 ATM -C2H5+O2 = C2H4O2H 1.814E+45 -11.50 1.460E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//!J. PHYS. CHEM. A. 2003 107:4415-4427. -//!AT 10 ATM -C2H5+O2 = C2H4+HO2 7.561E+14 -1.01 4.749E+03 0.0 0.0 0.0 -DUP - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//!J. PHYS. CHEM. A. 2003 107:4415-4427. -//!AT 10 ATM -C2H5+O2 = C2H4+HO2 4.000E-01 3.88 1.362E+04 0.0 0.0 0.0 -DUP - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//!J. PHYS. CHEM. A. 2003 107:4415-4427. -//!AT 10 ATM -C2H5+O2 = C2H4O1-2+OH 1.626E+11 -0.31 6.150E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//!J. PHYS. CHEM. A. 2003 107:4415-4427. -//!AT 10 ATM -C2H5+O2 = CH3CHO+OH 8.265E+02 2.41 5.285E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//!J. PHYS. CHEM. A. 2003 107:4415-4427. -//!AT 10 ATM -C2H4O2H = C2H5O2 1.203E+36 -8.13 2.702E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//!J. PHYS. CHEM. A. 2003 107:4415-4427. -//!AT 10 ATM -C2H5O2 = CH3CHO+OH 2.520E+41 -10.20 4.371E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//!J. PHYS. CHEM. A. 2003 107:4415-4427. -//!AT 10 ATM -C2H5O2 = C2H4+HO2 1.815E+38 -8.45 3.789E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//!J. PHYS. CHEM. A. 2003 107:4415-4427. -//!AT 10 ATM -C2H5O2 = C2H4O1-2+OH 4.000E+43 -10.46 4.558E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//!J. PHYS. CHEM. A. 2003 107:4415-4427. -//!AT 10 ATM -C2H4O2H = C2H4O1-2+OH 8.848E+30 -6.08 2.066E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//!J. PHYS. CHEM. A. 2003 107:4415-4427. -//!AT 10 ATM -C2H4O2H = C2H4+HO2 3.980E+34 -7.25 2.325E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//!J. PHYS. CHEM. A. 2003 107:4415-4427. -//!AT 10 ATM -C2H4O2H = CH3CHO+OH 1.188E+34 -9.02 2.921E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM LIFSHITZ ET AL. 1983 -C2H4O1-2 = CH3+HCO 3.630E+13 0.00 5.720E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -C2H4O1-2 = CH3CHO 7.407E+12 0.00 5.380E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM BALDWIN ET AL. 1984. -C2H4O1-2+OH = C2H3O1-2+H2O 1.780E+13 0.00 3.610E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM BALDWIN ET AL. 1984. -C2H4O1-2+H = C2H3O1-2+H2 8.000E+13 0.00 9.680E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM CURRAN, ANALOGY TO ETHENE -C2H4O1-2+HO2 = C2H3O1-2+H2O2 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM CURRAN, ANALOGY TO ETHENE -C2H4O1-2+CH3O2 = C2H3O1-2+CH3O2H 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM CURRAN, ANALOGY TO ETHENE -C2H4O1-2+C2H5O2 = C2H3O1-2+C2H5O2H 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM BALDWIN, KEEN AND WALKER, -//!J. CHEM. SOC. FARADAY TRANS. 1, 80, 435 (1984). -C2H4O1-2+CH3 = C2H3O1-2+CH4 1.070E+12 0.00 1.183E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H4O1-2+CH3O = C2H3O1-2+CH3OH 1.200E+11 0.00 6.750E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM BALDWIN, KEEN AND WALKER, -//!J. CHEM. SOC. FARADAY TRANS. 1, 80, 435 (1984). -C2H3O1-2 = CH3CO 8.500E+14 0.00 1.400E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM BALDWIN, KEEN AND WALKER, -//!J. CHEM. SOC. FARADAY TRANS. 1, 80, 435 (1984). -C2H3O1-2 = CH2CHO 1.000E+14 0.00 1.400E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM CURRAN ESTIMATE -CH3+HCO = CH3CHO 1.750E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM WHYSTOCK ET AL. 1976. -CH3CHO+H = CH3CO+H2 1.110E+13 0.00 3.110E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -CH3CHO+O = CH3CO+OH 5.940E+12 0.00 1.868E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM TAYLOR ET AL. 1996. -CH3CHO+OH = CH3CO+H2O 2.000E+06 1.80 1.300E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992. -CH3CHO+O2 = CH3CO+HO2 3.010E+13 0.00 3.915E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -CH3CHO+CH3 = CH3CO+CH4 1.760E+03 2.79 4.950E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992. -CH3CHO+HO2 = CH3CO+H2O2 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992. -CH3O2+CH3CHO = CH3O2H+CH3CO 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992. -//!ANALOGY TO CH3CHO+CH3O2 -CH3CHO+CH3CO3 = CH3CO+CH3CO3H 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -// !WKM!REACTION AND RATE TAKEN FROM NUIG BUT NAMING SCHEME CHANGED -//!HOCHO CHANGED TO HCOOH - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM TAYLOR ET AL. 1996. -CH3CHO+OH = CH3+HCOOH 3.000E+15 -1.08 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM TAYLOR ET AL. 1996. -CH3CHO+OH = CH2CHO+H2O 1.720E+05 2.40 8.150E+02 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//!"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -CH3CO+H = CH2CO+H2 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//!"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -CH3CO+O = CH2CO+OH 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//!"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -CH3CO+CH3 = CH2CO+CH4 5.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3CO+O2 = CH3CO3 1.200E+11 0.00 -1.100E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3CO3+HO2 = CH3CO3H+O2 1.750E+10 0.00 -3.275E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -H2O2+CH3CO3 = HO2+CH3CO3H 2.410E+12 0.00 9.936E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH4+CH3CO3 = CH3+CH3CO3H 1.810E+11 0.00 1.848E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -//!ANALOGY WITH CH3O2 + CH2O -CH2O+CH3CO3 = HCO+CH3CO3H 1.990E+12 0.00 1.166E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM CURRAN -//!ANALOGY TO C2H6+HO2 -C2H6+CH3CO3 = C2H5+CH3CO3H 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 -//!REV/ 1.450E+12 0.04 9.460E+03 / - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM SAHETCHIAN ET AL. 1992 -CH3CO3H = CH3CO2+OH 5.010E+14 0.00 4.015E+04 0.0 0.0 0.0 -//!REV/ 3.618E+07 1.76 1.338E+03 / - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH2CO + H = CH2CHO 5.000E+13 0.00 1.230E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992 -CH2CHO+O2 = CH2O+CO+OH 2.000E+13 0.00 4.200E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM WARNATZ, J., UNPUBLISHED -CH2CO+H = CH3+CO 1.100E+13 0.00 3.400E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH2CO+H = HCCO+H2 2.000E+14 0.00 8.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH2CO+O = CH2+CO2 1.750E+12 0.00 1.350E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH2CO+O = HCCO+OH 1.000E+13 0.00 8.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH2CO+OH = HCCO+H2O 1.000E+13 0.00 2.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH2CO+OH = CH2OH+CO 2.000E+12 0.00 -1.010E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH2(S)+CH2CO = C2H4+CO 1.600E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -HCCO+OH = H2+CO+CO 1.000E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -H+HCCO = CH2(S)+CO 1.100E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -HCCO+O = H+CO+CO 8.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM HIDAKA ?? -HCCO+O2 = OH+CO+CO 4.200E+10 0.00 8.500E+02 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM SMITH ET AL., GRI MECH 2.11 -CH+CH2O = H+CH2CO 9.460E+13 0.00 -5.150E+02 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM SMITH ET AL., GRI MECH 2.11 -CH+HCCO = CO+C2H2 5.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM KNYAZEV,V.D.; BENCSURA,A.; STOLIAROV,S.I.; SLAGLE,I.R. -//!J. PHYS. CHEM. 100, 11346-1135 (1996) -C2H4+H = C2H3+H2 5.070E+07 1.93 1.295E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM BAULCH ET AL. 2005 -C2H4+O = CH3+HCO 8.564E+06 1.88 1.830E+02 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM BAULCH ET AL. 2005 -C2H4+O = CH2CHO+H 4.986E+06 1.88 1.830E+02 0.0 0.0 0.0 - -//!FROM LI DME PAPER -C2H4+OH = C2H3+H2O 1.800E+06 2.00 2.500E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM TSANG -C2H4+CH3 = C2H3+CH4 6.620E+00 3.70 9.500E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H4+O2 = C2H3+HO2 4.000E+13 0.00 5.820E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -C2H4+CH3O = C2H3+CH3OH 1.200E+11 0.00 6.750E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992 -//!ANALOGY TO C2H4+HO2 -C2H4+CH3O2 = C2H3+CH3O2H 2.230E+12 0.00 1.719E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992 -//!ANALOGY TO C2H4+HO2 -C2H4+C2H5O2 = C2H3+C2H5O2H 2.230E+12 0.00 1.719E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H4+CH3CO3 = C2H3+CH3CO3H 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H4+CH3O2 = C2H4O1-2+CH3O 2.820E+12 0.00 1.711E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H4+C2H5O2 = C2H4O1-2+C2H5O 2.820E+12 0.00 1.711E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H4+HO2 = C2H4O1-2+OH 2.230E+12 0.00 1.719E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM BUTLER, FLEMING, GOSS, LIN, ACS SYMP. SER. 134 (1980) -CH+CH4 = C2H4+H 6.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// C2H2 chemistry -//!WKM -//!FROM GRI MECH 3.0 -C2H3+O2 = HCO+CH2O 4.580E+16 -1.39 1.015E+03 0.0 0.0 0.0 - -//!WKM -//!FROM GRI MECH 3.0 -C2H3+O2 = HO2+C2H2 1.337E+06 1.61 -3.840E+02 0.0 0.0 0.0 - -//!WKM -//! WANG ET AL. EASTERN ESTATES MEETING COMBUSTION INSTITUTE, PAPER 129 (1999) -C2H3+O2 = O+CH2CHO 1.000E+11 0.29 1.100E+01 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3+C2H3 = CH4+C2H2 3.920E+11 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GRI MECH 3.0 -C2H3+H = C2H2+H2 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GRI MECH 3.0 -C2H3+OH = C2H2+H2O 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H2+O2 = HCCO+OH 2.000E+08 1.50 3.010E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GRI MECH 3.0 -O+C2H2 = C2H+OH 4.600E+19 -1.40 2.895E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GRI MECH 3.0 -C2H2+O = CH2+CO 6.940E+06 2.00 1.900E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GRI MECH 3.0 -C2H2+O = HCCO+H 1.350E+07 2.00 1.900E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H2+OH = C2H+H2O 3.370E+07 2.00 1.400E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H2+OH = CH2CO+H 3.236E+13 0.00 1.200E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GRI MECH 3.0 -C2H2+OH = CH3+CO 4.830E-04 4.00 -2.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GRI MECH 3.0 -OH+C2H2 = H+HCCOH 5.040E+05 2.30 1.350E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM SMITH ET AL., GRI MECH 2.11 -H+HCCOH = H+CH2CO 1.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+O2 = PC2H4OH+HO2 2.000E+13 0.00 5.280E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+O2 = SC2H4OH+HO2 1.500E+13 0.00 5.015E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM NICK MARINOV -//!IJCK 31: 183 220, 1999 -C2H5OH+OH = PC2H4OH+H2O 1.740E+11 0.27 6.000E+02 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM NICK MARINOV -//!IJCK 31: 183 220, 1999 -C2H5OH+OH = SC2H4OH+H2O 4.640E+11 0.15 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM NICK MARINOV -//!IJCK 31: 183 220, 1999 -C2H5OH+OH = C2H5O+H2O 7.460E+11 0.30 1.634E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM NICK MARINOV -//!IJCK 31: 183 220, 1999 -C2H5OH+H = PC2H4OH+H2 1.230E+07 1.80 5.098E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM NICK MARINOV -//!IJCK 31: 183 220, 1999 -C2H5OH+H = SC2H4OH+H2 2.580E+07 1.65 2.827E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM NICK MARINOV -//!IJCK 31: 183 220, 1999 -C2H5OH+H = C2H5O+H2 1.500E+07 1.60 3.038E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM NICK MARINOV -//!IJCK 31: 183 220, 1999 -C2H5OH+HO2 = PC2H4OH+H2O2 1.230E+04 2.55 1.575E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM NICK MARINOV -//!IJCK 31: 183 220, 1999 -C2H5OH+HO2 = SC2H4OH+H2O2 8.200E+03 2.55 1.075E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM NICK MARINOV -//!IJCK 31: 183 220, 1999 -C2H5OH+HO2 = C2H5O+H2O2 2.500E+12 0.00 2.400E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM NICK MARINOV -//!IJCK 31: 183 220, 1999 -//!ANOLOGY TO C2H5OH+HO2 -C2H5OH+CH3O2 = PC2H4OH+CH3O2H 1.230E+04 2.55 1.575E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM NICK MARINOV -//!IJCK 31: 183 220, 1999 -//!ANOLOGY TO C2H5OH+HO2 -C2H5OH+CH3O2 = SC2H4OH+CH3O2H 8.200E+03 2.55 1.075E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM NICK MARINOV -//!IJCK 31: 183 220, 1999 -//!ANOLOGY TO C2H5OH+HO2 -C2H5OH+CH3O2 = C2H5O+CH3O2H 2.500E+12 0.00 2.400E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+O = PC2H4OH+OH 9.410E+07 1.70 5.459E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+O = SC2H4OH+OH 1.880E+07 1.85 1.824E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+O = C2H5O+OH 1.580E+07 2.00 4.448E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+CH3 = PC2H4OH+CH4 1.330E+02 3.18 9.362E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+CH3 = SC2H4OH+CH4 4.440E+02 2.90 7.690E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+CH3 = C2H5O+CH4 1.340E+02 2.92 7.452E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM CURRAN ESTIMATE -//!1/2 OF C4H10+C2H5 -C2H5OH+C2H5 = PC2H4OH+C2H6 5.000E+10 0.00 1.340E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM CURRAN ESTIMATE -C2H5OH+C2H5 = SC2H4OH+C2H6 5.000E+10 0.00 1.040E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -C2H4+OH = PC2H4OH 4.170E+20 -2.84 1.240E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -//!BASED ON C3H6OH+O2 REACTION -O2C2H4OH = PC2H4OH+O2 3.900E+16 -1.00 3.000E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -O2C2H4OH = OH+CH2O+CH2O 3.125E+09 0.00 1.890E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -//!ANALOGY TO CH2OH+O2 -SC2H4OH+O2 = CH3CHO+HO2 3.810E+06 2.00 1.641E+03 0.0 0.0 0.0 - -// END C2 CHEMISTRY - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH3+OH = CH3COCH2+H2O 1.250E+05 2.48 4.450E+02 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -CH3COCH3+H = CH3COCH2+H2 9.800E+05 2.43 5.160E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -CH3COCH3+O = CH3COCH2+OH 5.130E+11 0.21 4.890E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH3+CH3 = CH3COCH2+CH4 3.960E+11 0.00 9.784E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -CH3COCH3+CH3O = CH3COCH2+CH3OH 4.340E+11 0.00 6.460E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH3+O2 = CH3COCH2+HO2 6.030E+13 0.00 4.850E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY TO ETHANE -CH3COCH3+HO2 = CH3COCH2+H2O2 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 -//!REV/ 6.397E+14 -0.75 1.383E+04 / - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY TO ETHANE -CH3COCH3+CH3O2 = CH3COCH2+CH3O2H 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY TO PROPANE -CH3COCH2 = CH2CO+CH3 1.000E+14 0.00 3.100E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH2+O2 = CH3COCH2O2 1.200E+11 0.00 -1.100E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!WESTBROOK ESTIMATE -CH3COCH3+CH3COCH2O2 = CH3COCH2+CH3COCH2O2H 1.000E+11 0.00 5.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!WESTBROOK ESTIMATE -CH2O+CH3COCH2O2 = HCO+CH3COCH2O2H 1.288E+11 0.00 9.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!WESTBROOK ESTIMATE -HO2+CH3COCH2O2 = CH3COCH2O2H+O2 1.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH2O2H = CH3COCH2O+OH 1.000E+16 0.00 4.300E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3CO+CH2O = CH3COCH2O 1.000E+11 0.00 1.190E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -C2H3+HCO = C2H3CHO 1.810E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H3CHO+H = C2H3CO+H2 1.340E+13 0.00 3.300E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H3CHO+O = C2H3CO+OH 5.940E+12 0.00 1.868E+03 0.0 0.0 0.0 - -//!MARINOV ET AL. COMBUST SCI TECH 116:211 1996 -C2H3CHO+H = C2H4+HCO 2.0E+13 0.0 3500.0 0.0 0.0 0.0 - -//!MARINOV ET AL. COMBUST SCI TECH 116:211 1996 -C2H3CHO+O = CH2CO+HCO+H 5.0E+7 1.76 76.0 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM TAYLOR ET AL. 1996. -//!ANALOGY WITH CH3CHO+OH -C2H3CHO+OH = C2H3CO+H2O 9.240E+06 1.50 -9.620E+02 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H3CHO+O2 = C2H3CO+HO2 1.005E+13 0.00 4.070E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!BASED ON CH3CHO+HO2 -C2H3CHO+HO2 = C2H3CO+H2O2 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!BASED ON CH3CHO+CH3 -C2H3CHO+CH3 = C2H3CO+CH4 2.608E+06 1.78 5.911E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY WITH ACETALDEHYDE. -C2H3CHO+C2H3 = C2H3CO+C2H4 1.740E+12 0.00 8.440E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY WITH CH3CHO + CH3O -C2H3CHO+CH3O = C2H3CO+CH3OH 1.000E+12 0.00 3.300E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!BASED ON CH3CHO + HO2 -C2H3CHO+CH3O2 = C2H3CO+CH3O2H 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -C2H3+CO = C2H3CO 1.510E+11 0.00 4.810E+03 0.0 0.0 0.0 - -//!ALZUETA & GLARBORG IJCK 32: 498-522, 2000. -//!PRIVATE COMMUNICATION WITH BOZZELLI (ZHONG'S THESIS) -C2H3CO+O2 = CH2CHO+CO2 5.4E20 -2.72 7000.0 0.0 0.0 0.0 - -//!MARINOV ET AL. COMBUST SCI TECH 116:211 1996 -C2H3CO+O = C2H3+CO2 1.0E14 0.0 0.0 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H5+HCO = C2H5CHO 1.810E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY WITH CH3CHO + H -C2H5CHO+H = C2H5CO+H2 4.000E+13 0.00 4.200E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY WITH CH3CHO + O -C2H5CHO+O = C2H5CO+OH 5.000E+12 0.00 1.790E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -C2H5CHO+OH = C2H5CO+H2O 2.690E+10 0.76 -3.400E+02 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -C2H5CHO+CH3 = C2H5CO+CH4 2.608E+06 1.78 5.911E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY WITH CH3CHO + HO2 -C2H5CHO+HO2 = C2H5CO+H2O2 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY WITH CH3CHO + CH3O -C2H5CHO+CH3O = C2H5CO+CH3OH 1.000E+12 0.00 3.300E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY WITH CH3CHO + HO2 -C2H5CHO+CH3O2 = C2H5CO+CH3O2H 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ACETALDEHYDE ANALOG -C2H5CHO+C2H5 = C2H5CO+C2H6 1.000E+12 0.00 8.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ACETALDEHYDE ANALOG -C2H5CHO+C2H5O = C2H5CO+C2H5OH 6.026E+11 0.00 3.300E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!BASED ON CH3CHO + HO2 -C2H5CHO+C2H5O2 = C2H5CO+C2H5O2H 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -C2H5CHO+O2 = C2H5CO+HO2 1.005E+13 0.00 4.070E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!BASED ON CH3CHO + HO2 -C2H5CHO+CH3CO3 = C2H5CO+CH3CO3H 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY WITH ACETALDEHYDE -C2H5CHO+C2H3 = C2H5CO+C2H4 1.700E+12 0.00 8.440E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H5+CO = C2H5CO 1.510E+11 0.00 4.810E+03 0.0 0.0 0.0 - - -//!WKM -//!NEW DME RATE CONSTANTS FROM CURRAN. -//!PRIVATE COMMUNICATION -CH3OCH3+OH = CH3OCH2+H2O 9.350E+05 2.290 -7.810E+02 0.0 0.0 0.0 - -//!NEW DME RATE CONSTANTS FROM CURRAN. -//!PRIVATE COMMUNICATION -CH3OCH3+H = CH3OCH2+H2 3.612E+04 2.880 2.996E+03 0.0 0.0 0.0 - -//!NEW DME RATE CONSTANTS FROM CURRAN. -//!PRIVATE COMMUNICATION -CH3OCH3+O = CH3OCH2+OH 7.750E+08 1.360 2.250E+03 0.0 0.0 0.0 - -//!NEW DME RATE CONSTANTS FROM CURRAN. -//!PRIVATE COMMUNICATION -CH3OCH3+HO2 = CH3OCH2+H2O2 1.344E+13 0.000 1.769E+04 0.0 0.0 0.0 - -//!NEW DME RATE CONSTANTS FROM CURRAN. -//!PRIVATE COMMUNICATION -CH3OCH3+CH3O2 = CH3OCH2+CH3O2H 1.344E+13 0.000 1.769E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH3+CH3 = CH3OCH2+CH4 1.445E-06 5.73 5.699E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH3+O2 = CH3OCH2+HO2 4.100E+13 0.00 4.491E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -CH3OCH3+CH3O = CH3OCH2+CH3OH 6.020E+11 0.00 4.074E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH3+CH3OCH2O2 = CH3OCH2+CH3OCH2O2H 5.000E+12 0.00 1.769E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH3+O2CHO = CH3OCH2+HO2CHO 4.425E+04 2.60 1.391E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH3+OCHO = CH3OCH2+HCOOH 1.000E+13 0.00 1.769E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH2 = CH2O+CH3 1.600E+13 0.00 2.550E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -CH3OCH2+CH3O = CH3OCH3+CH2O 2.410E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH2+CH2O = CH3OCH3+HCO 5.490E+03 2.80 5.862E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -CH3OCH2+CH3CHO = CH3OCH3+CH3CO 1.260E+12 0.00 8.499E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH2+O2 = CH3OCH2O2 2.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!1/2 TSANG/HAMPSON CH3O2 + CH2O = CH3O2H + HCO -CH3OCH2O2+CH2O = CH3OCH2O2H+HCO 1.000E+12 0.00 1.166E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -CH3OCH2O2+CH3CHO = CH3OCH2O2H+CH3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH2O2+CH3OCH2O2 = O2+CH3OCH2O+CH3OCH2O 2.210E+23 -4.50 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH2O+OH = CH3OCH2O2H 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3O+CH2O = CH3OCH2O 1.000E+11 0.00 1.190E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -//!CH3OCH2O+O2 = CH3OCHO+HO2 5.000E+10 0.00 5.000E+02 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CH3OCHO+H = CH3OCH2O 1.000E+13 0.00 7.838E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH2O2 = CH2OCH2O2H 6.000E+10 0.00 2.158E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH2OCH2O2H = OH+CH2O+CH2O 1.500E+13 0.00 2.076E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH2OCH2O2H+O2 = O2CH2OCH2O2H 7.000E+11 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -O2CH2OCH2O2H = HO2CH2OCHO+OH 4.000E+10 0.00 1.858E+04 0.0 0.0 0.0 - -/// BEGIN C3 Chemistry - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ESTIMATE -NC3H7+H = C3H8 1.000E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ESTIMATE -IC3H7+H = C3H8 1.000E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H8+O2 = IC3H7+HO2 2.000E+13 0.00 4.964E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H8+O2 = NC3H7+HO2 6.000E+13 0.00 5.229E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -H+C3H8 = H2+IC3H7 1.300E+06 2.40 4.471E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -H+C3H8 = H2+NC3H7 1.330E+06 2.54 6.756E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H8+O = IC3H7+OH 5.490E+05 2.50 3.140E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H8+O = NC3H7+OH 3.710E+06 2.40 5.505E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H8+OH = NC3H7+H2O 1.054E+10 0.97 1.586E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H8+OH = IC3H7+H2O 4.670E+07 1.61 -3.500E+01 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.2) -C3H8+HO2 = IC3H7+H2O2 5.880E+04 2.50 1.486E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.5) -C3H8+HO2 = NC3H7+H2O2 8.100E+04 2.50 1.669E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -CH3+C3H8 = CH4+IC3H7 6.400E+04 2.17 7.520E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//!J. PHYS. CHEM. REF. DATA 17, 887 (1988) -CH3+C3H8 = CH4+NC3H7 9.040E-01 3.65 7.154E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM HAUTMAN, D. J., SANTORO, R. J., DRYER, F. L., -//!AND GLASSMAN, I., TO BE PUBLISHED. -IC3H7+C3H8 = NC3H7+C3H8 3.000E+10 0.00 1.290E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM HAUTMAN, D. J., SANTORO, R. J., DRYER, F. L., -//!AND GLASSMAN, I., TO BE PUBLISHED. -C2H3+C3H8 = C2H4+IC3H7 1.000E+11 0.00 1.040E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM HAUTMAN, D. J., SANTORO, R. J., DRYER, F. L., -//!AND GLASSMAN, I., TO BE PUBLISHED. -C2H3+C3H8 = C2H4+NC3H7 1.000E+11 0.00 1.040E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM HAUTMAN, D. J., SANTORO, R. J., DRYER, F. L., -//!AND GLASSMAN, I., TO BE PUBLISHED. -C2H5+C3H8 = C2H6+IC3H7 1.000E+11 0.00 1.040E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM HAUTMAN, D. J., SANTORO, R. J., DRYER, F. L., -//!AND GLASSMAN, I., TO BE PUBLISHED. -C2H5+C3H8 = C2H6+NC3H7 1.000E+11 0.00 1.040E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//!CST 71, 111(1990) -C3H8+C3H5-A = NC3H7+C3H6 7.940E+11 0.00 2.050E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//!CST 71, 111(1990) -C3H8+C3H5-A = IC3H7+C3H6 7.940E+11 0.00 1.620E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FRED DRYER ESTIMATE -C3H8+CH3O = NC3H7+CH3OH 3.000E+11 0.00 7.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FRED DRYER ESTIMATE -C3H8+CH3O = IC3H7+CH3OH 3.000E+11 0.00 7.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.5) -CH3O2+C3H8 = CH3O2H+NC3H7 8.100E+04 2.50 1.669E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.2) -CH3O2+C3H8 = CH3O2H+IC3H7 5.880E+04 2.50 1.486E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.5) -C2H5O2+C3H8 = C2H5O2H+NC3H7 8.100E+04 2.50 1.669E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.2) -C2H5O2+C3H8 = C2H5O2H+IC3H7 5.880E+04 2.50 1.486E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANAOLGY TO C2H6+HO2 -NC3H7O2+C3H8 = NC3H7O2H+NC3H7 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM WALKER, R. W., REACTION KINETICS, -//!VOL. 1, S. P. R. CHEMICAL SOCIETY, 1975 -NC3H7O2+C3H8 = NC3H7O2H+IC3H7 2.000E+12 0.00 1.700E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANAOLGY TO C2H6+HO2 -IC3H7O2+C3H8 = IC3H7O2H+NC3H7 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM WALKER, R. W., REACTION KINETICS, -//!VOL. 1, S. P. R. CHEMICAL SOCIETY, 1975 -IC3H7O2+C3H8 = IC3H7O2H+IC3H7 2.000E+12 0.00 1.700E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM WALKER, R. W., REACTION KINETICS, -//!VOL. 1, S. P. R. CHEMICAL SOCIETY, 1975 -C3H8+CH3CO3 = IC3H7+CH3CO3H 2.000E+12 0.00 1.700E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANAOLGY TO C2H6+HO2 -C3H8+CH3CO3 = NC3H7+CH3CO3H 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 -//!REV/ 1.673E+12 -0.01 9.570E+03 / - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANAOLGY TO C2H6+HO2 -C3H8+O2CHO = NC3H7+HO2CHO 5.520E+04 2.55 1.648E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANAOLGY TO C2H6+HO2 -C3H8+O2CHO = IC3H7+HO2CHO 1.475E+04 2.60 1.391E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -H+C3H6 = IC3H7 2.640E+13 0.00 2.160E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//!"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7+H = C2H5+CH3 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -IC3H7+O2 = C3H6+HO2 4.500E-19 0.00 5.020E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//!J. PHYS. CHEM. REF. DATA 17, 887 (1988) -IC3H7+OH = C3H6+H2O 2.410E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//!J. PHYS. CHEM. REF. DATA 17, 887 (1988) -IC3H7+O = CH3COCH3+H 4.818E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//!J. PHYS. CHEM. REF. DATA 17, 887 (1988) -IC3H7+O = CH3CHO+CH3 4.818E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7 = CH3+C2H4 9.970E+40 -8.60 4.143E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7 = H+C3H6 8.780E+39 -8.10 4.658E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -NC3H7+O2 = C3H6+HO2 3.000E-19 0.00 3.000E+03 0.0 0.0 0.0 -//! -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY WITH ACETALDEHYDE -C2H5CHO+NC3H7 = C2H5CO+C3H8 1.700E+12 0.00 8.440E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY WITH ACETALDEHYDE -C2H5CHO+IC3H7 = C2H5CO+C3H8 1.700E+12 0.00 8.440E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY WITH ACETALDEHYDE -C2H5CHO+C3H5-A = C2H5CO+C3H6 1.700E+12 0.00 8.440E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6 = C3H5-S+H 7.710E+69 -16.09 1.400E+05 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6 = C3H5-T+H 5.620E+71 -16.58 1.393E+05 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM KOERT ET AL. ENERGY & FUELS -//!VOL 6: 485-493 1992 -C3H6+O = C2H5+HCO 1.580E+07 1.76 -1.216E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM KOERT ET AL. ENERGY & FUELS -//!VOL 6: 485-493 1992 -C3H6+O = CH2CO+CH3+H 2.500E+07 1.76 7.600E+01 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM KOERT ET AL. ENERGY & FUELS -//!VOL 6: 485-493 1992 -C3H6+O = CH3CHCO+H+H 2.500E+07 1.76 7.600E+01 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM KOERT ET AL. ENERGY & FUELS -//!VOL 6: 485-493 1992 -C3H6+O = C3H5-A+OH 5.240E+11 0.70 5.884E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM KOERT ET AL. ENERGY & FUELS -//!VOL 6: 485-493 1992 -C3H6+O = C3H5-S+OH 1.200E+11 0.70 8.959E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM KOERT ET AL. ENERGY & FUELS -//!VOL 6: 485-493 1992 -C3H6+O = C3H5-T+OH 6.030E+10 0.70 7.632E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+OH = C3H5-A+H2O 3.120E+06 2.00 -2.980E+02 0.0 0.0 0.0 -//!REV/ 1.347E+07 1.91 3.027E+04 / - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+OH = C3H5-S+H2O 2.110E+06 2.00 2.778E+03 0.0 0.0 0.0 -//!REV/ 2.968E+04 2.39 9.916E+03 / - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+OH = C3H5-T+H2O 1.110E+06 2.00 1.451E+03 0.0 0.0 0.0 -//!REV/ 3.576E+03 2.59 1.070E+04 / - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 -C3H6+HO2 = C3H5-A+H2O2 2.700E+04 2.50 1.234E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 -C3H6+HO2 = C3H5-S+H2O2 1.800E+04 2.50 2.762E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 -C3H6+HO2 = C3H5-T+H2O2 9.000E+03 2.50 2.359E+04 0.0 0.0 0.0 - -//!LASKIN ET AL IJCK 32 589-614 2000 -//!!!!!!!!!PRESSURE DEPENDANT!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! - //!91TSA RRKM 0.1 ATM -//!C3H6+H = C2H4+CH3 8.80E+16 -1.05 6461.0 0.0 0.0 0.0 - //!91TSA RRKM 1 ATM -//!C3H6+H = C2H4+CH3 8.00E+21 -2.39 11180.0 0.0 0.0 0.0 - //!91TSA RRKM 10 ATM -C3H6+H = C2H4+CH3 3.30E+24 -3.04 15610.0 0.0 0.0 0.0 - -//!LASKIN ET AL IJCK 32 589-614 2000 -C3H6+H = C3H5-A+H2 1.73E+05 2.50 2490.0 0.0 0.0 0.0 - -//!LASKIN ET AL IJCK 32 589-614 2000 -C3H6+H = C3H5-T+H2 4.00E+05 2.50 9790.0 0.0 0.0 0.0 - -//!LASKIN ET AL IJCK 32 589-614 2000 -C3H6+H = C3H5-S+H2 8.04E+05 2.50 12283.0 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+O2 = C3H5-A+HO2 4.000E+12 0.00 3.990E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+O2 = C3H5-S+HO2 2.000E+12 0.00 6.290E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+O2 = C3H5-T+HO2 1.400E+12 0.00 6.070E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//!J. PHYS. CHEM. REF. DATA 17, 887 (1988) -C3H6+CH3 = C3H5-A+CH4 2.210E+00 3.50 5.675E+03 0.0 0.0 0.0 -//!REV/ 8.184E+02 3.07 2.289E+04 / - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//!J. PHYS. CHEM. REF. DATA 17, 887 (1988) -C3H6+CH3 = C3H5-S+CH4 1.348E+00 3.50 1.285E+04 0.0 0.0 0.0 -//!REV/ 1.626E+00 3.55 6.635E+03 / - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//!J. PHYS. CHEM. REF. DATA 17, 887 (1988) -C3H6+CH3 = C3H5-T+CH4 8.400E-01 3.50 1.166E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ALLARA, D. L. AND SHAW, R., -//!J. PHYS. CHEM. REF. DATA 9, 523 (1980) -C3H6+C2H5 = C3H5-A+C2H6 1.000E+11 0.00 9.800E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY TO C3H6+HO2 -C3H6+CH3CO3 = C3H5-A+CH3CO3H 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY TO C3H6+HO2 -C3H6+CH3O2 = C3H5-A+CH3O2H 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+HO2 = C3H6O1-2+OH 1.290E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY TO C3H6+HO2 -C3H6+C2H5O2 = C3H5-A+C2H5O2H 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY TO C3H6+HO2 -C3H6+NC3H7O2 = C3H5-A+NC3H7O2H 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY TO C3H6+HO2 -C3H6+IC3H7O2 = C3H5-A+IC3H7O2H 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY TO C3H6+HO2 -// CFG assumes HOCH2CHCH3 -C3H6+OH = C3H6OH 9.930E+11 0.00 -9.600E+02 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!WILK, CERNANSKY, PITZ, AND WESTBROOK, C&F 1988. -//CFG assumes HOCH2CH(OO*)CH3 -C3H6OH+O2 = HOC3H6O2 1.200E+11 0.00 -1.100E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -HOC3H6O2 = CH3CHO+CH2O+OH 1.250E+10 0.00 1.890E+04 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-A+H = C3H4-A+H2 1.80E+13 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-A+O = C2H3CHO+H 6.00E+13 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!!!!PRESSURE DEPENDANCE!!!!!!!!!!!!!!!!!!!!!!!!!! - //!91TSA RRKM 0.1 ATM -//!C3H5-A+OH = C2H3CHO+H+H 5.30E+37 -6.71 29306.0 0.0 0.0 0.0 - //!91TSA RRKM 1 ATM -//!C3H5-A+OH = C2H3CHO+H+H 4.20E+32 -5.16 30126.0 0.0 0.0 0.0 - //!91TSA RRKM 10 ATM -C3H5-A+OH = C2H3CHO+H+H 1.60E+20 -1.56 26330.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-A+OH = C3H4-A+H2O 6.00E+12 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!!!!PRESSURE DEPENDANCE!!!!!!!!!!!!!!!!!!!!!!!!!! - //!93BOZ/DEA RRKM 1 ATM -//!C3H5-A+O2 = C3H4-A+HO2 4.99E+15 -1.40 22428.0 0.0 0.0 0.0 - //!93BOZ/DEA RRKM 10 ATM -C3H5-A+O2 = C3H4-A+HO2 2.18E+21 -2.85 30755.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!!!!PRESSURE DEPENDANCE!!!!!!!!!!!!!!!!!!!!!!!!!! - //!93BOZ/DEA RRKM 1 ATM -//!C3H5-A+O2 = CH3CO+CH2O 1.19E+15 -1.01 20128.0 0.0 0.0 0.0 - //!93BOZ/DEA RRKM 10 ATM -C3H5-A+O2 = CH3CO+CH2O 7.14E+15 -1.21 21046.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!!!!PRESSURE DEPENDANCE!!!!!!!!!!!!!!!!!!!!!!!!!! - //!93BOZ/DEA RRKM 1 ATM -//!C3H5-A+O2 = C2H3CHO+OH 1.82E+13 -0.41 22859.0 0.0 0.0 0.0 - // !93BOZ/DEA RRKM 10 ATM -C3H5-A+O2 = C2H3CHO+OH 2.47E+13 -0.45 23017.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-A+HCO = C3H6+CO 6.00E+13 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-A+CH3 = C3H4-A+CH4 3.00E+12 -0.32 -131.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!!!!PRESSURE DEPENDANCE!!!!!!!!!!!!!!!!!!!!!!!!!! - //!99DAV/LAW RRKM 1 ATM -//!C3H5-A = C3H5-T 7.06E+56 -14.08 75868.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 2 ATM -//!C3H5-A = C3H5-T 4.80E+55 -13.59 75949.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 5 ATM -C3H5-A = C3H5-T 4.86E+53 -12.81 75883.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!!!!PRESSURE DEPENDANCE!!!!!!!!!!!!!!!!!!!!!!!!!! - //!99DAV/LAW RRKM 1 ATM -//!C3H5-A = C3H5-S 5.00E+51 -13.02 73300.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 10 ATM -C3H5-A = C3H5-S 9.70E+48 -11.73 73700.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 100 ATM -//!C3H5-A = C3H5-S 4.86E+44 -9.84 73400.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!!!! PRESSURE DEPENDANCE !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! - //!99DAV/LAW RRKM 1 ATM -//!C2H2+CH3 = C3H5-A 2.68E+53 -12.82 35730.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 2 ATM -//!C2H2+CH3 = C3H5-A 3.64E+52 -12.46 36127.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 5 ATM -C2H2+CH3 = C3H5-A 1.04E+51 -11.89 36476.0 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//!"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -C3H5-A+CH3O2 = C3H5O+CH3O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//!CST 71, 111(1990) -C3H5-A+C2H5 = C2H6+C3H4-A 4.000E+11 0.00 0.000E+00 0.0 0.0 0.0 - -//!//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//!CST 71, 111(1990) -C3H5-A+C2H5 = C2H4+C3H6 4.000E+11 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//!CST 71, 111(1990) -C3H5-A+C2H3 = C2H4+C3H4-A 1.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//!WANG -//!J. PHYS. CHEM. REF. DATA 20, 221-273, (1991) -C3H5-A+C3H5-A = C3H4-A+C3H6 8.43E+10 0.0 -262.0 0.0 0.0 0.0 - -//!!!!!UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH!!!!!!!!!! -//!ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230 (2005) -//!C3H5-A+C2H2 = C*CCJC*C 1.0E+12 0.0 6883.4 0.0 0.0 0.0 - -//!ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230 (2005) -//!C3H5-A+C2H3 = C5H6+H+H 1.6E+35 -14.0 61137.7 0.0 0.0 0.0 - -//!ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230 (2005) -//!C3H5-A+C3H3 = C6H6+H+H 5.6E+20 -2.54 1696.9 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//!"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -C3H5-A+HO2 = C3H5O+OH 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!!!!!! PRESSURE DEPENDANCE !!!!!!!!!!!!!!!!!!!!! - //!99DAV/LAW RRKM 1 ATM -//!C2H2+CH3 = C3H5-S 3.20E+35 -7.76 13300.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 10 ATM -C2H2+CH3 = C3H5-S 2.40E+38 -8.21 17100.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 100 ATM -//!C2H2+CH3 = C3H5-S 1.40E+39 -8.06 20200.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+H = C3H4-P+H2 3.34E+12 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+O = C2H4+HCO 6.00E+13 0.0 0.0 0.0 0.0 0.0 - -//!//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+OH = C2H4+HCO+H 5.00E+12 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+O2 = CH3CHO+HCO 1.00E+11 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+HO2 = C2H4+HCO+OH 2.00E+13 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+HCO = C3H6+CO 9.00E+13 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+CH3 = C3H4-P+CH4 1.00E+11 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!!!! PRESSURE DEPENDANCE !!!!!!!!!!!!!!!!! - //!99DAV/LAW RRKM 1 ATM -//!C2H2+CH3 = C3H5-T 4.99E+22 -4.39 18850.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 2 ATM -//!C2H2+CH3 = C3H5-T 6.00E+23 -4.60 19571.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 5 ATM -C2H2+CH3 = C3H5-T 7.31E+25 -5.06 21150.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!!! PRESSURE DEPENDANCE !!!!!!!!!!!!!!!!!!!!!! - //!99DAV/LAW RRKM 1 ATM -//!C3H5-T = C3H5-S 1.50E+48 -12.71 53900.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 10 ATM -C3H5-T = C3H5-S 5.10E+52 -13.37 57200.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 100 ATM -//!C3H5-T = C3H5-S 5.80E+51 -12.43 59200.0 0.0 0.0 0.0 - -//!//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+H = C3H4-P+H2 3.34E+12 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+O = CH3+CH2CO 6.00E+13 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+OH = CH3+CH2CO+H 5.00E+12 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+O2 = CH3CO+CH2O 1.00E+11 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+HO2 = CH3+CH2CO+OH 2.00E+13 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+HCO = C3H6+CO 9.00E+13 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+CH3 = C3H4-P+CH4 1.00E+11 0.0 0.0 0.0 0.0 0.0 - - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!! PRESSURE DEPENDANCE !!!!!!!!!!!!!!!!!!!!! - //!99DAV/LAW RRKM 1 ATM -//!C2H2+CH3 = C3H4-A+H 5.14E+09 0.86 22153.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 2 ATM -//!C2H2+CH3 = C3H4-A+H 1.33E+10 0.75 22811.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 5 ATM -C2H2+CH3 = C3H4-A+H 9.20E+10 0.54 23950.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-A+H = C3H3+H2 1.30E+06 2.0 5500.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!!! PRESSURE DEPENDANCE !!!!!!!!!!!!!!!!!! - //!99DAV/LAW RRKM 1 ATM -//!C3H4-A+H = C3H5-S 5.40E+29 -6.09 16300.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 10 ATM -C3H4-A+H = C3H5-S 2.60E+31 -6.23 18700.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 100 ATM -//!C3H4-A+H = C3H5-S 3.20E+31 -5.88 21500.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!!! PRESSURE DEPENDANCE !!!!!!!!!!!!!!!!!! - //!99DAV/LAW RRKM 1 ATM -//!C3H4-A+H = C3H5-T 9.46E+42 -9.43 11190.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 2 ATM -//!C3H4-A+H = C3H5-T 8.47E+43 -9.59 12462.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 5 ATM -C3H4-A+H = C3H5-T 6.98E+44 -9.70 14032.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!!! PRESSURE DEPENDANCE !!!!!!!!!!!!!!!!!! - //!99DAV/LAW RRKM 1 ATM -//!C3H4-A+H = C3H5-A 1.52E+59 -13.54 26949.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 2 ATM -//!C3H4-A+H = C3H5-A 3.78E+57 -12.98 26785.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 5 ATM -C3H4-A+H = C3H5-A 7.34E+54 -12.09 26187.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-A+O = C2H4+CO 2.00E+07 1.8 1000.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-A+OH = C3H3+H2O 5.30E+06 2.0 2000.0 0.0 0.0 0.0 - -//!//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-A+CH3 = C3H3+CH4 1.30E+12 0.0 7700.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-A+C2H = C2H2+C3H3 1.00E+13 0.0 0.0 0.0 0.0 0.0 - -//!ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230 (2005) -C3H4-A+C3H4-A = C3H5-A+C3H3 5.0E+14 0.0 64746.7 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//!CST 71, 111(1990) -C3H4-A+C3H5-A = C3H3+C3H6 2.000E+11 0.00 7.700E+03 0.0 0.0 0.0 - -//!!!!!UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH!!!!!!!!!! -//!ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230 (2005) -//!C3H4-A+C3H3 = C6H6+H 1.4E+12 0.0 9990.4 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!! PRESSURE DEPENDANCE !!!!!!!!!!!!!!!!!!!!! - //!99DAV/LAW RRKM KINF -//!C3H4-P = CC3H4 1.73E+12 0.31 60015.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 0.4 ATM -//!C3H4-P = CC3H4 2.84E+45 -10.45 69284.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 1 ATM -//!C3H4-P = CC3H4 1.20E+44 -9.92 69250.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 2 ATM -//!C3H4-P = CC3H4 5.47E+42 -9.43 69089.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 5 ATM -C3H4-P = CC3H4 3.92E+40 -8.69 68706.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!! PRESSURE DEPENDANCE !!!!!!!!!!!!!!!!!!!!! - //!99DAV/LAW RRKM 0.4 ATM -//!C3H4-P = C3H4-A 5.81E+62 -14.63 91211.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 1 ATM -//!C3H4-P = C3H4-A 5.15E+60 -13.93 91117.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 2 ATM -//!C3H4-P = C3H4-A 7.64E+59 -13.59 91817.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 5 ATM -C3H4-P = C3H4-A 3.12E+58 -13.07 92680.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!! PRESSURE DEPENDANCE !!!!!!!!!!!!!!!!!!!!! - //!99DAV/LAW RRKM 1 ATM -//!C3H4-P+H = C3H4-A+H 6.27E+17 -0.91 10079.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 2 ATM -//!C3H4-P+H = C3H4-A+H 1.50E+18 -1.00 10756.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 5 ATM -C3H4-P+H = C3H4-A+H 1.93E+18 -1.01 11523.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!! PRESSURE DEPENDANCE !!!!!!!!!!!!!!!!!!!!! - //!99DAV/LAW RRKM 1 ATM -//!C3H4-P+H = C3H5-T 1.66E+47 -10.58 13690.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 2 ATM -//!C3H4-P+H = C3H5-T 5.04E+47 -10.61 14707.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 5 ATM -C3H4-P+H = C3H5-T 9.62E+47 -10.55 15910.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!! PRESSURE DEPENDANCE !!!!!!!!!!!!!!!!!!!!! - //!99DAV/LAW RRKM 1 ATM -//!C3H4-P+H = C3H5-S 5.50E+28 -5.74 4300.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 10 ATM -C3H4-P+H = C3H5-S 1.00E+34 -6.88 8900.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 100 ATM -//!C3H4-P+H = C3H5-S 9.70E+37 -7.63 13800.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!! PRESSURE DEPENDANCE !!!!!!!!!!!!!!!!!!!!! - //!99DAV/LAW RRKM 1 ATM -//!C3H4-P+H = C3H5-A 4.91E+60 -14.37 31644.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 2 ATM -//!C3H4-P+H = C3H5-A 3.04E+60 -14.19 32642.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 5 ATM -C3H4-P+H = C3H5-A 9.02E+59 -13.89 33953.0 0.0 0.0 0.0 - -//!//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+H = C3H3+H2 1.30E+06 2.0 5500.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+C3H3 = C3H4-A+C3H3 6.14E+06 1.74 10450.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+O = HCCO+CH3 0.73E+13 0.0 2250.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+O = C2H4+CO 1.00E+13 0.0 2250.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+OH = C3H3+H2O 1.00E+06 2.0 100.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+C2H = C2H2+C3H3 1.00E+13 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+CH3 = C3H3+CH4 1.80E+12 0.0 7700.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!! PRESSURE DEPENDANCE !!!!!!!!!!!!!!!!!!!!! - //!99DAV/LAW RRKM 1 ATM -//!C2H2+CH3 = C3H4-P+H 2.56E+09 1.10 13644.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 2 ATM -//!C2H2+CH3 = C3H4-P+H 2.07E+10 0.85 14415.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 5 ATM -C2H2+CH3 = C3H4-P+H 2.51E+11 0.56 15453.0 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//!CST 71, 111(1990) -C3H4-P+C2H3 = C3H3+C2H4 1.000E+12 0.00 7.700E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//!CST 71, 111(1990) -C3H4-P+C3H5-A = C3H3+C3H6 1.000E+12 0.00 7.700E+03 0.0 0.0 0.0 - - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!!!!!!!!!!!!! PRESSURE DEPENDANCE !!!!!!!!!!!!!!!!!!!!! - //!99DAV/LAW RRKM INF -//!CC3H4 = C3H4-A 1.98E+12 0.56 42240.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 0.4 ATM -//!CC3H4 = C3H4-A 7.59E+40 -9.07 48831.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 1 ATM -//!CC3H4 = C3H4-A 4.89E+41 -9.17 49594.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 2 ATM -//!CC3H4 = C3H4-A 8.81E+41 -9.15 50073.0 0.0 0.0 0.0 - //!99DAV/LAW RRKM 5 ATM -CC3H4 = C3H4-A 4.33E+41 -8.93 50475.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+H = C3H4-P 1.500E+13 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+H = C3H4-A 2.500E+12 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//CFG not sure about C3H2 -C3H3+H = C3H2+H2 5.00E+13 0.0 1000.0 0.0 0.0 0.0 -// Laskin et al is this: http://dx.doi.org/10.1002/1097-4601(2000)32:10%3C589::AID-KIN2%3E3.0.CO;2-U -// For its C3 rates it cites these: -// [1] Davis, S. G.; Law, C. K.; Wang, H. Twenty-Seventh Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1998; pp 305-312. -// [2] Davis, S. G.; Law, C. K.; Wang, H. J Phys Chem A 1999, 103, 5889. doi:10.1021/jp982762a -// [3] Davis, S. G.; Law, C. K.; Wang, H. Combust Flame 1999, 119, 375. doi:10.1016/S0010-2180(99)00070-X -// The last of these has the above rate attributed to [40] Pauwels, J-F., Volponi, J. V., and Miller, J. A., Com-bust. Sci. Technol., 110 -111:249-276 (1995). - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+O = CH2O+C2H 2.00E+13 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//CFG not sure about C3H2 -C3H3+OH = C3H2+H2O 2.00E+13 0.0 0.0 0.0 0.0 0.0 -// Laskin et al. attribute this to [3] Davis, S. G.; Law, C. K.; Wang, H. Combust Flame 1999, 119, 375. doi:10.1016/S0010-2180(99)00070-X -// doi:10.1016/S0010-2180(99)00070-X attributes this to [41] Miller, J. A., and Bowman, C. T., Prog. Energy Combust. Sci. 15:287-338 (1989). doi:10.1016/0360-1285(89)90017-8 -// doi:10.1016/0360-1285(89)90017-8 have it as reaction 121, but I can't see where they get it from (if anywhere) nor any clue what it is. - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+O2 = CH2CO+HCO 3.00E+10 0.0 2868.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+HO2 = OH+CO+C2H3 8.00E+11 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+HO2 = C3H4-A+O2 3.00E+11 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+HO2 = C3H4-P+O2 2.50E+12 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+HCO = C3H4-A+CO 2.50E+13 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+HCO = C3H4-P+CO 2.50E+13 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+HCCO = C4H4+CO 2.50E+13 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+CH = C4H3-I+H 5.00E+13 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+CH2 = C4H4+H 5.00E+13 0.0 0.0 0.0 0.0 0.0 - - -//!!!----CFG - - -//!!!!!UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH!!!!!!!!!! -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!C3H3+C3H3 = C6H5+H 5.000E+12 0.0 0.0 0.0 0.0 0.0 -//!C3H3+C3H3 = C6H6 2.000E+12 0.0 0.0 0.0 0.0 0.0 -//!C3H3+C4H6 = C6H5CH3+H 6.53E+5 1.28 -4611.0 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H5+C2H = C3H3+CH3 1.810E+13 0.0 0.0 0.0 0.0 0.0 - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//CFG not sure about C3H2 -C3H2+H = C3H3 1.00E+13 0.0 0.0 0.0 0.0 0.0 -// Laskin et al. attribute this to [3] Davis, S. G.; Law, C. K.; Wang, H. Combust Flame 1999, 119, 375. doi:10.1016/S0010-2180(99)00070-X -//doi:10.1016/S0010-2180(99)00070-X atrributes this to [estimated]! - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//CFG not sure about C3H2 -C3H2+O = C2H2+CO 6.80E+13 0.0 0.0 0.0 0.0 0.0 -// Laskin et al. attribute this to [3] Davis, S. G.; Law, C. K.; Wang, H. Combust Flame 1999, 119, 375. doi:10.1016/S0010-2180(99)00070-X -//doi:10.1016/S0010-2180(99)00070-X atrributes this to [43] Warnatz,J., Bockhorn,H., Moser,A., and Wenz,H. W., Nineteenth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 1983, p.197. - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//CFG not sure about C3H2 -C3H2+OH = HCO+C2H2 6.80E+13 0.0 0.0 0.0 0.0 0.0 -// Laskin et al. attribute this to [3] Davis, S. G.; Law, C. K.; Wang, H. Combust Flame 1999, 119, 375. doi:10.1016/S0010-2180(99)00070-X -//doi:10.1016/S0010-2180(99)00070-X atrributes this to [43] Warnatz,J., Bockhorn,H., Moser,A., and Wenz,H. W., Nineteenth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, 1983, p.197. - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//CFG not sure about C3H2 -C3H2+O2 = HCCO+H+CO 2.00E+12 0.0 1000.0 0.0 0.0 0.0 -// Laskin et al. attribute this to [3] Davis, S. G.; Law, C. K.; Wang, H. Combust Flame 1999, 119, 375. doi:10.1016/S0010-2180(99)00070-X -//doi:10.1016/S0010-2180(99)00070-X atrributes this to [40] Pauwels, J-F., Volponi, J. V., and Miller, J. A., Combust. Sci. Technol., 110 -111:249-276 (1995). - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//CFG not sure about C3H2 -C3H2+CH = C4H2+H 5.00E+13 0.0 0.0 0.0 0.0 0.0 -// Laskin et al. attribute this to [3] Davis, S. G.; Law, C. K.; Wang, H. Combust Flame 1999, 119, 375. doi:10.1016/S0010-2180(99)00070-X -//doi:10.1016/S0010-2180(99)00070-X atrributes this to [32] Wang, H., and Frenklach, M., Combust. Flame 110:173-221 (1997). - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//CFG not sure about C3H2 -C3H2+CH2 = C4H3-N+H 5.00E+13 0.0 0.0 0.0 0.0 0.0 -// Laskin et al. attribute this to [3] Davis, S. G.; Law, C. K.; Wang, H. Combust Flame 1999, 119, 375. doi:10.1016/S0010-2180(99)00070-X -//doi:10.1016/S0010-2180(99)00070-X atrributes this to [32] Wang, H., and Frenklach, M., Combust. Flame 110:173-221 (1997). - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//CFG not sure about C3H2 -C3H2+CH3 = C4H4+H 5.00E+12 0.0 0.0 0.0 0.0 0.0 -// Laskin et al. attribute this to [3] Davis, S. G.; Law, C. K.; Wang, H. Combust Flame 1999, 119, 375. doi:10.1016/S0010-2180(99)00070-X -//doi:10.1016/S0010-2180(99)00070-X atrributes this to [32] Wang, H., and Frenklach, M., Combust. Flame 110:173-221 (1997). - -//!LASKIN ET AL. IJCK 32 589-614 2000 -//CFG not sure about C3H2 -C3H2+HCCO = C4H3-N+CO 1.00E+13 0.0 0.0 0.0 0.0 0.0 -// Laskin et al. attribute this to [3] Davis, S. G.; Law, C. K.; Wang, H. Combust Flame 1999, 119, 375. doi:10.1016/S0010-2180(99)00070-X -//doi:10.1016/S0010-2180(99)00070-X atrributes this to [32] Wang, H., and Frenklach, M., Combust. Flame 110:173-221 (1997). - -//!//!//!//!//!UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//!//!//!//!//!//!//!//!//!//! -//!LASKIN ET AL. IJCK 32 589-614 2000 -//!C3H2+C3H3 = C6H5 7.00E+12 0.0 0.0 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//CFG not sure about C3H2 -C3H2+O2 = HCO+HCCO 5.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -CH3CHCO+OH = C2H5+CO2 1.730E+12 0.00 -1.010E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -CH3CHCO+OH = SC2H4OH+CO 2.000E+12 0.00 -1.010E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -CH3CHCO+H = C2H5+CO 4.400E+12 0.00 1.459E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -CH3CHCO+O = CH3CHO+CO 3.200E+12 0.00 -4.370E+02 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//!"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -NC3H7+HO2 = NC3H7O+OH 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//!"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7+HO2 = IC3H7O+OH 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//!"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -CH3O2+NC3H7 = CH3O+NC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//!"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -CH3O2+IC3H7 = CH3O+IC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7+O2 = NC3H7O2 4.520E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7+O2 = IC3H7O2 7.540E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY TO CH2O+HO2 -NC3H7O2+CH2O = NC3H7O2H+HCO 5.600E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!HALF OF CH2O+HO2 -NC3H7O2+CH3CHO = NC3H7O2H+CH3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY TO CH2O+HO2 -IC3H7O2+CH2O = IC3H7O2H+HCO 5.600E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!HALF OF CH2O+HO2 -IC3H7O2+CH3CHO = IC3H7O2H+CH3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+HO2 = NC3H7O2H+O2 1.750E+10 0.00 -3.275E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+HO2 = IC3H7O2H+O2 1.750E+10 0.00 -3.275E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY TO C2H4+HO2 -C2H4+NC3H7O2 = C2H3+NC3H7O2H 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY TO C2H4+HO2 -C2H4+IC3H7O2 = C2H3+IC3H7O2H 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY TO CH3OH+HO2 -CH3OH+NC3H7O2 = CH2OH+NC3H7O2H 6.300E+12 0.00 1.936E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY TO CH3OH+HO2 -CH3OH+IC3H7O2 = CH2OH+IC3H7O2H 6.300E+12 0.00 1.936E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!HALF OF CH2O+HO2 -C2H3CHO+NC3H7O2 = C2H3CO+NC3H7O2H 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!HALF OF CH2O+HO2 -C2H3CHO+IC3H7O2 = C2H3CO+IC3H7O2H 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY TO CH4+HO2 -CH4+NC3H7O2 = CH3+NC3H7O2H 1.120E+13 0.00 2.464E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ANALOGY TO CH4+HO2 -CH4+IC3H7O2 = CH3+IC3H7O2H 1.120E+13 0.00 2.464E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+CH3O2 = NC3H7O+CH3O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+CH3O2 = IC3H7O+CH3O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//! TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -H2+NC3H7O2 = H+NC3H7O2H 3.010E+13 0.00 2.603E+04 0.0 0.0 0.0 - -//! TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -H2+IC3H7O2 = H+IC3H7O2H 3.010E+13 0.00 2.603E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!WESTBROOK ESTIMATE -IC3H7O2+C2H6 = IC3H7O2H+C2H5 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!WESTBROOK ESTIMATE -NC3H7O2+C2H6 = NC3H7O2H+C2H5 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!WESTBROOK ESTIMATE -IC3H7O2+C2H5CHO = IC3H7O2H+C2H5CO 2.000E+11 0.00 9.500E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!WESTBROOK ESTIMATE -NC3H7O2+C2H5CHO = NC3H7O2H+C2H5CO 2.000E+11 0.00 9.500E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+CH3CO3 = IC3H7O+CH3CO2+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+CH3CO3 = NC3H7O+CH3CO2+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+C2H5O2 = IC3H7O+C2H5O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+C2H5O2 = NC3H7O+C2H5O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+IC3H7O2 = O2+IC3H7O+IC3H7O 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+NC3H7O2 = O2+NC3H7O+NC3H7O 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+NC3H7O2 = IC3H7O+NC3H7O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//!"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7O2+CH3 = IC3H7O+CH3O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//!"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7O2+C2H5 = IC3H7O+C2H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//!"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7O2+IC3H7 = IC3H7O+IC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//!"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7O2+NC3H7 = IC3H7O+NC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//!"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7O2+C3H5-A = IC3H7O+C3H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//!"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -NC3H7O2+CH3 = NC3H7O+CH3O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//!"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -NC3H7O2+C2H5 = NC3H7O+C2H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//!"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -NC3H7O2+IC3H7 = NC3H7O+IC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//!"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -NC3H7O2+NC3H7 = NC3H7O+NC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//!"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -NC3H7O2+C3H5-A = NC3H7O+C3H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2H = NC3H7O+OH 1.500E+16 0.00 4.250E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2H = IC3H7O+OH 9.450E+15 0.00 4.260E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H5+CH2O = NC3H7O 1.000E+11 0.00 3.496E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H5CHO+H = NC3H7O 4.000E+12 0.00 6.260E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3+CH3CHO = IC3H7O 1.000E+11 0.00 9.256E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH3+H = IC3H7O 2.000E+12 0.00 7.270E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!BALLA, NELSON, AND MCDONALD, -//!CHEM. PHYSICS, 99, 323 (1985) -IC3H7O+O2 = CH3COCH3+HO2 9.090E+09 0.00 3.900E+02 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2 = C3H6OOH1-2 6.000E+11 0.00 2.685E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2 = C3H6OOH1-3 1.125E+11 0.00 2.440E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2 = C3H6OOH2-1 1.800E+12 0.00 2.940E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!BOZZELLI, J. AND DEAN, A, 1992 -// CFG thinks C3H6OOH2-2 isn't stable (beta-hydroperoyl-radical) -// Replace this product with the product of C3H6OOH2-2 decomp -//IC3H7O2 = C3H6OOH2-2 1.230E+35 -6.96 4.888E+04 0.0 0.0 0.0 -IC3H7O2 = CH3COCH3+OH 1.230E+35 -6.96 4.888E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-2 = C3H6O1-2+OH 6.000E+11 0.00 2.200E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -// CFG assumes C3H6O1-3 is propen-2-ol -C3H6OOH1-3 = C3H6O1-3+OH 7.500E+10 0.00 1.525E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH2-1 = C3H6O1-2+OH 6.000E+11 0.00 2.200E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+HO2 = C3H6OOH1-2 1.000E+11 0.00 1.100E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+HO2 = C3H6OOH2-1 1.000E+11 0.00 1.175E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-3 = OH+CH2O+C2H4 3.035E+15 -0.79 2.740E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!BOZZELLI AND PITZ, 1995 -C3H6OOH2-1 = C2H3OOH+CH3 6.540E+27 -5.14 3.832E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!BOZZELLI AND PITZ, 1995 -C3H6OOH1-2 = C2H4+CH2O+OH 1.310E+33 -7.01 4.812E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -// CFG thinks C3H6OOH2-2 isn't stable (beta-hydroperoxyl-radical) -//C3H6OOH2-2 = CH3COCH3+OH 9.000E+14 0.00 1.500E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-2+O2 = C3H6OOH1-2O2 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-3+O2 = C3H6OOH1-3O2 4.520E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH2-1+O2 = C3H6OOH2-1O2 4.520E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-2O2 = C3KET12+OH 6.000E+11 0.00 2.640E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-3O2 = C3KET13+OH 7.500E+10 0.00 2.140E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH2-1O2 = C3KET21+OH 3.000E+11 0.00 2.385E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH2-1O2 = C3H51-2,3OOH 1.125E+11 0.00 2.440E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-2O2 = C3H51-2,3OOH 9.000E+11 0.00 2.940E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!BOZZELLI AND PITZ, 1993 -C3H51-2,3OOH = AC3H5OOH+HO2 2.560E+13 -0.49 1.777E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-3O2 = C3H52-1,3OOH 6.000E+11 0.00 2.685E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!BOZZELLI AND PITZ, 1993 -C3H52-1,3OOH = AC3H5OOH+HO2 1.150E+14 -0.63 1.725E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3KET12 = CH3CHO+HCO+OH 9.450E+15 0.00 4.300E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3KET13 = CH2O+CH2CHO+OH 1.000E+16 0.00 4.300E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3KET21 = CH2O+CH3CO+OH 1.000E+16 0.00 4.300E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -C3H5O+OH = AC3H5OOH 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C3H5O = C2H3CHO+H 1.000E+14 0.00 2.910E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -C2H3+CH2O = C3H5O 1.5E+11 0.0 10600.0 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!ACETALDEHYDE ANALOG -C3H5O+O2 = C2H3CHO+HO2 1.000E+12 0.00 6.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!PITZ ESTIMATE -C2H3OOH = CH2CHO+OH 8.400E+14 0.00 4.300E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!FLOWERS, M. C., -//!J. CHEM. SOC. FAR. TRANS. I 73, 1927 (1977) -C3H6O1-2 = C2H4+CH2O 6.000E+14 0.00 6.000E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!WESTBROOK ESTIMATE -C3H6O1-2+OH = CH2O+C2H3+H2O 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!WESTBROOK ESTIMATE -C3H6O1-2+H = CH2O+C2H3+H2 2.630E+07 2.00 5.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!WESTBROOK ESTIMATE -C3H6O1-2+O = CH2O+C2H3+OH 8.430E+13 0.00 5.200E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!WESTBROOK ESTIMATE -C3H6O1-2+HO2 = CH2O+C2H3+H2O2 1.000E+13 0.00 1.500E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!WESTBROOK ESTIMATE -C3H6O1-2+CH3O2 = CH2O+C2H3+CH3O2H 1.000E+13 0.00 1.900E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!WESTBROOK ESTIMATE -C3H6O1-2+CH3 = CH2O+C2H3+CH4 2.000E+11 0.00 1.000E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!WESTBROOK AND PITZ ESTIMATE (1983) -C3H6O1-3 = C2H4+CH2O 6.000E+14 0.00 6.000E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!PITZ ESTIMATE -C3H6O1-3+OH = CH2O+C2H3+H2O 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!PITZ ESTIMATE -C3H6O1-3+O = CH2O+C2H3+OH 8.430E+13 0.00 5.200E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!PITZ ESTIMATE -C3H6O1-3+H = CH2O+C2H3+H2 2.630E+07 2.00 5.000E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!PITZ ESTIMATE -C3H6O1-3+CH3O2 = CH2O+C2H3+CH3O2H 1.000E+13 0.00 1.900E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!PITZ ESTIMATE -C3H6O1-3+HO2 = CH2O+C2H3+H2O2 1.000E+13 0.00 1.500E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!PITZ ESTIMATE -C3H6O1-3+CH3 = CH2O+C2H3+CH4 2.000E+11 0.00 1.000E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2 = C3H6+HO2 1.015E+43 -9.41 4.149E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2 = C3H6+HO2 5.044E+38 -8.11 4.049E+04 0.0 0.0 0.0 - -//----------------- -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -CH2CCH2OH+H2O2 = C3H5OH+HO2 3.010E+09 0.00 2.583E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -C3H5OH+OH = CH2CCH2OH+H2O 5.060E+12 0.00 5.960E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -C3H5OH+H = CH2CCH2OH+H2 3.900E+05 2.50 5.821E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -C3H5OH+O2 = CH2CCH2OH+HO2 4.000E+13 0.00 6.069E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -C3H5OH+CH3 = CH2CCH2OH+CH4 2.400E+11 0.00 8.030E+03 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -//CH2CCH2OH+CH3 = IC4H7OH 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -CH2CCH2OH+H = C3H5OH 1.000E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -CH2CCH2OH+O2 = CH2OH+CO+CH2O 4.335E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -CH2CCH2OH = C2H2+CH2OH 2.163E+40 -8.31 4.511E+04 0.0 0.0 0.0 - -//!HEALY ET AL C&F, 155: 451 461 (2008) -//!CURRAN ESTIMATE -C3H4-A+OH = CH2CCH2OH 8.5E+12 0.0 2000.0 0.0 0.0 0.0 - - - - - -//!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! -//!METHYL FORMATE SUBMECHANISM, DOOLEY ET AL. IJCK 2009 -//!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! - -H+CH2OCHO = CH3OCHO 1.0E+14 0.0 0.0E+00 0.0 0.0 0.0 -H+CH3OCO = CH3OCHO 1.0E+14 0.0 0.0E+00 0.0 0.0 0.0 -CH3OCHO + H = CH2OCHO + H2 665417.0 2.537 6494.2 0.0 0.0 0.0 -CH3OCHO + OH = CH2OCHO + H2O 8.858E+12 0.054 3340.5 0.0 0.0 0.0 -CH3OCHO + CH3 = CH2OCHO + CH4 2.910E-01 3.700 6823.8 0.0 0.0 0.0 -CH3OCHO + HO2 = CH2OCHO + H2O2 56594.9 2.440 16594.3 0.0 0.0 0.0 -CH3OCHO + CH3O2 = CH2OCHO + CH3O2H 56594.9 2.440 16594.3 0.0 0.0 0.0 -CH3OCHO + CH3O = CH2OCHO + CH3OH 4.59E+09 0.450 4823.6 0.0 0.0 0.0 -CH3OCHO + O = CH2OCHO + OH 884346.9 2.440 4593.2 0.0 0.0 0.0 -CH3OCHO + O2 = CH2OCHO + HO2 1.533E+13 0.0796 51749.8 0.0 0.0 0.0 -CH3OCHO + HCO = CH2OCHO + CH2O 1.025E+05 2.50 1.843E+04 0.0 0.0 0.0 -CH3OCHO + C2H5 = CH2OCHO + C2H6 1.0E+11 0.0 1.040E+04 0.0 0.0 0.0 -CH3OCHO + C2H3 = CH2OCHO + C2H4 1.0E+11 0.0 1.040E+04 0.0 0.0 0.0 -CH3OCHO + OCHO = CH2OCHO + HCOOH 56594.9 2.440 16594.3 0.0 0.0 0.0 -CH3OCHO + H = CH3OCO + H2 257664.5 2.52E+00 5736.8 0.0 0.0 0.0 -CH3OCHO + OH = CH3OCO + H2O 1.22E+16 -9.81E-01 4946.1 0.0 0.0 0.0 -CH3OCHO + CH3 = CH3OCO + CH4 0.09212 3.69E+00 6052.6 0.0 0.0 0.0 -CH3OCHO + CH3O2 = CH3OCO + CH3O2H 156602 2.18E+00 16544.4 0.0 0.0 0.0 -CH3OCHO + HO2 = CH3OCO + H2O2 156602 2.18E+00 16544.4 0.0 0.0 0.0 -CH3OCHO + CH3O = CH3OCO + CH3OH 5.27E+09 8.30E-01 2912.4 0.0 0.0 0.0 -CH3OCHO + O = CH3OCO + OH 245142.0 2.47E+00 4047.8 0.0 0.0 0.0 -CH3OCHO + O2 = CH3OCO + HO2 3.847E+12 1.13E-01 50759.6 0.0 0.0 0.0 -CH3OCHO + HCO = CH3OCO + CH2O 5.400E+06 1.90 1.701E+04 0.0 0.0 0.0 -CH3OCHO + C2H5 = CH3OCO + C2H6 1.0E+11 0.0 1.040E+04 0.0 0.0 0.0 -CH3OCHO + C2H3 = CH3OCO + C2H4 1.0E+11 0.0 1.040E+04 0.0 0.0 0.0 -CH3OCHO + OCHO = CH3OCO + HCOOH 156602 2.180 16544.4 0.0 0.0 0.0 -CH3OCO + CH3OCHO = CH3OCHO + CH2OCHO 1.000E+11 0.00 1.040E+04 0.0 0.0 0.0 -CH3 + CO2 = CH3OCO 4.76E+07 1.54 3.47E+04 0.0 0.0 0.0 -CH3O + CO = CH3OCO 1.55E+06 2.02 5.73E+03 0.0 0.0 0.0 -CH2OCHO = CH3OCO 2.62E11 -0.03 38178 0.0 0.0 0.0 -CH2O + HCO = CH2OCHO 3.89E11 0.0 22000 0.0 0.0 0.0 -OCH2OCHO = HOCH2OCO 1.000E+11 0.00 1.400E+04 0.0 0.0 0.0 -HOCH2OCO = HOCH2O + CO 2.238E+19 -2.02 1.969E+04 0.0 0.0 0.0 -HOCH2OCO = CH2OH + CO2 2.413E+17 -1.57 2.212E+04 0.0 0.0 0.0 -//!CH2O+VINYL RAUK ET AL. IMPORTANT: DO NOT DISCARD IN SUBMECHANISM, THIS REACTION IS ALSO DESCRIBED IN DME OXIDATION. -CH2O + OCHO = OCH2OCHO 3.89E11 0.0 2500 0.0 0.0 0.0 -CH3OCO + HCO = CH3OCHO + CO 1E14 0.0 0.0 0.0 0.0 0.0 -CH2OCHO + HCO = CH3OCHO + CO 1E14 0.0 0.0 0.0 0.0 0.0 -// Removed because RMG doesn't like CH3OC*OOOH ("forbidden by CO3") -//CH3OCO + HO2 = CH3OC*OOOH 7E12 0 -1000 0.0 0.0 0.0 -CH2OCHO + HO2 = HOOCH2OCHO 7E12 0 -1000 0.0 0.0 0.0 -//!Reverse of NC3H7O2H = NC3H7O + OH computed from forward e*pressions of Healy et al, -// Removed because RMG doesn't like CH3OC*OO ("forbidden by CO3.") or CH3OC*OOOH ("forbidden by CO3") -//CH3OC*OO + OH = CH3OC*OOOH 1.550E+06 2.41 -4.132E+03 0.0 0.0 0.0 -//!Reverse of NC3H7O2H = NC3H7O + OH computed from forward e*pressions of Healy et al, -OCH2OCHO + OH = HOOCH2OCHO 1.550E+06 2.41 -4.132E+03 0.0 0.0 0.0 -// Removed because RMG doesn't like CH3OC*OO ("forbidden by CO3.") -//CH2OCHO + CH3O = CH3OC*OO + CH3 7E12 0.0 -1000 0.0 0.0 0.0 -CH3OCO + CH3O = OCH2OCHO + CH3 7E12 0.0 -1000 0.0 0.0 0.0 -// Removed because RMG doesn't like CH3OC*OO ("forbidden by CO3.") -//CO2 + CH3O = CH3OC*OO 1.00E+11 0.0 9200.0 0.0 0.0 0.0 -// Removed because RMG doesn't like CH3OC*OOO ("forbidden by CO3") -//CH3OCO + O2 = CH3OC*OOO 4.50E+12 0.0 0.0 0.0 0.0 0.0 -CH2OCHO + O2 = OOCH2OCHO 4.50E+12 0.0 0.0 0.0 0.0 0.0 -// Removed because RMG doesn't like CH3OC*OOO ("forbidden by CO3") -//OOCH2OCHO = HOOCH2OC*O 2.47E11 0.0 28900 0.0 0.0 0.0 -//CH3OC*OOO = CH2OC*OOOH 7.41E11 0.0 28900 0.0 0.0 0.0 -// CFG thinks CH2O2H isn't stable -//CH2O2H+CO2 = HOOCH2OC*O 2.92E6 1.65 36591 0.0 0.0 0.0 -OCH2O2H+CO = HOOCH2OC*O 1.08E7 1.633 5588 0.0 0.0 0.0 -// CFG thinks CH2O2H isn't stable -//OH+CH2O = CH2O2H 2.30E+10 0.0 12900 0.0 0.0 0.0 -//CH2OC*OOOH => CH2O + CO2 + OH 3.801E+18 -1.47 3.736E+04 0.0 0.0 0.0 -//CH2OC*OOOH => CH2O + CO + HO2 3.801E+18 -1.47 3.736E+04 0.0 0.0 0.0 -//CH2OC*OOOH => CYOCH2OC*O + OH 7.50E+10 0.0 15250.0 0.0 0.0 0.0 -//HOOCH2OC*O => CYOCH2OC*O + OH 7.50E+10 0.0 15250.0 0.0 0.0 0.0 -//CH2OC*OOOH + O2 = OOCH2OC*OOOH 4.52E+12 0.0 0.0 0.0 0.0 0.0 -//HOOCH2OC*O + O2 = HOOCH2OC*OOO 7.54E+12 0.0 0.0 0.0 0.0 0.0 -//HOOCH2OC*OOO = O*CHOC*OOOH + OH 2.89E+10 0.0 21863 0.0 0.0 0.0 -//O*CHOC*OOOH => CO2 + OCHO + OH 1.050E+16 0.0 41600.0 0.0 0.0 0.0 -//CYOCH2OC*O + H = CHOOCO + H2 4.800E+08 1.5 2005.0 0.0 0.0 0.0 -//CYOCH2OC*O + OH = CHOOCO + H2O 2.400E+06 2.0 -1192.2 0.0 0.0 0.0 -//CYOCH2OC*O + HO2 = CHOOCO + H2O2 4.000E+12 0.0 12976.7 0.0 0.0 0.0 -OCHO + CO = CHOOCO 1.500E+11 0.0 3000.0 0.0 0.0 0.0 -HCO + CO2 = CHOOCO 1.500E+11 0.0 36730.0 0.0 0.0 0.0 - - diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate/species.txt b/output/RMG_database/kinetics_libraries/Dooley/methylformate/species.txt deleted file mode 100644 index 67253fb539..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate/species.txt +++ /dev/null @@ -1,959 +0,0 @@ -// Species for Dryer / Curran Mechanism -// Edited by CFG - -H -1 H 1 - - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -C -1 C 4 - - -CH -1 C 3 - - -CH2(S) -1 C 2S - - -CH2 -1 C 2T - - -CH3 -1 C 1 - - -CH4 -1 C 0 - - -O -1 O 2T - - -OH -1 O 1 - - -H2O -1 O 0 - - -CO -1 C 2T {2,D} -2 O 0 {1,D} - - -HCO -1 C 1 {2,D} -2 O 0 {1,D} - - -CH2O -1 C 0 {2,D} -2 O 0 {1,D} - - - -CH3O -1 C 0 {2,S} -2 O 1 {1,S} - - -CH2OH -1 C 1 {2,S} -2 O 0 {1,S} - - -CH3OH -1 C 0 {2,S} -2 O 0 {1,S} - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - - -HO2 -1 O 1 {2,S} -2 O 0 {1,S} - - -H2O2 -1 O 0 {2,S} -2 O 0 {1,S} - - -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -O2CHO -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 O 1 {3,S} - -HO2CHO -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 O 0 {3,S} - -OCHO -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 1 {1,S} - -OCH2O2H -1 O 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - -HOCH2O2 -1 C 0 {2,S} {3,S} -2 O 0 {1,S} -3 O 0 {1,S} {4,S} -4 O 1 {3,S} - -HOCH2O2H -1 C 0 {2,S} {3,S} -2 O 0 {1,S} -3 O 0 {1,S} {4,S} -4 O 0 {3,S} - -HOCH2O -1 C 0 {2,S} {3,S} -2 O 0 {1,S} -3 O 1 {1,S} - -C2H6 -1 C 0 {2,S} -2 C 0 {1,S} - -CH3O2 -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 1 {2,S} - -CH3O2H -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} - -C2H5 -1 C 1 {2,S} -2 C 0 {1,S} - -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - -HCOOH -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} - -CH2CO -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -C2H2 -1 C 0 {2,T} -2 C 0 {1,T} - -C2H3 -1 C 1 {2,D} -2 C 0 {1,D} - -C2H5O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 1 {2,S} - -C2H5O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 1 {3,S} - -C2H5O2H -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - -CH3CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - - -C2H4O1-2 -1 C 0 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 O 0 {1,S} {2,S} - - -//CH2CHOH -//1 C 0 {2,D} -//2 C 0 {1,D} {3,S} -//3 O 0 {2,S} - - -C2H4O2H -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - -C2H3O1-2 -1 C 1 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 O 0 {1,S} {2,S} - - -CH3CO -1 C 1 {2,D} {3,S} -2 O 0 {1,D} -3 C 0 {1,S} - -CH2CHO -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -CH3CO3 -1 C 0 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 O 0 {2,S} {5,S} -5 O 1 {4,S} - -CH3CO3H -1 C 0 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 O 0 {2,S} {5,S} -5 O 0 {4,S} - -CH3CO2 -1 C 0 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 O 1 {2,S} - -HCCO -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -HCCOH -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 O 0 {2,S} - -C2H -1 C 1 {2,T} -2 C 0 {1,T} - -PC2H4OH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} - - -SC2H4OH -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 O 0 {2,S} - -C2H5OH -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} - -O2C2H4OH -1 O 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} - -CH3COCH3 -1 O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} - -CH3COCH2 -1 O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 1 {2,S} - -CH3COCH2O2 -1 O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 1 {5,S} - - -CH3COCH2O2H -1 O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - -CH3COCH2O -1 O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 1 {4,S} - -C2H3CHO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -C2H3CO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} - -C2H5CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -C2H5CO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} - -CH3OCH3 -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} - -CH3OCH2 -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 1 {2,S} - -CH3OCH2O2 -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} - - -CH3OCH2O2H -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -CH3OCH2O -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 1 {3,S} - -CH3OCHO -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -CH2OCH2O2H -1 C 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -O2CH2OCH2O2H -1 C 0 {2,S} {6,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} -6 O 0 {1,S} {7,S} -7 O 1 {6,S} - -HO2CH2OCHO -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 C 0 {4,S} {6,D} -6 O 0 {5,D} - -OCH2OCHO -1 O 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -HOCH2OCO -1 O 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 1 {3,S} {5,D} -5 O 0 {4,D} - -C3H5-A -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 1 {2,S} - -C3H6 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} - -NC3H7 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} - -IC3H7 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} - -C3H8 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} - -NC3H7O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 1 {3,S} - -IC3H7O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 1 {2,S} - -NC3H7O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} - -IC3H7O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} {5,S} -5 O 1 {4,S} - -NC3H7O2H -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -IC3H7O2H -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} {5,S} -5 O 0 {4,S} - -C3H5-T -1 C 0 {2,S} -2 C 1 {1,S} {3,D} -3 C 0 {2,D} - -C3H5-S -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 1 {2,D} - -C3H6OH -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} - -HOC3H6O2 -1 O 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {5,S} -4 C 0 {3,S} -5 O 0 {3,S} {6,S} -6 O 1 {5,S} - -C3H4-A -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} - -CH3CHCO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,D} -4 O 0 {3,D} - - -C4H8-1 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -C3H4-P -1 C 0 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} - -C3H5O -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 O 1 {3,S} - -C3H3 -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 1 {2,D} - -CC3H4 -1 C 0 {2,S} {3,S} -2 C 0 {1,S} {3,D} -3 C 0 {1,S} {2,D} - -// mechanism is not clear about C3H2 -- CFG -// Mike suggests *CH=C=CH* -C3H2 -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 C 1 {2,D} - -C4H2 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -C4H3-I -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 1 {2,S} {4,D} -4 C 0 {3,D} - -C4H3-N -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,D} -4 C 1 {3,D} - -C4H4 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -C3H6OOH1-3 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -C3H6OOH1-2 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -C3H6OOH2-1 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} {5,S} -5 O 0 {4,S} - -// CFG thinks they mean propene-oxide -C3H6O1-2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} {4,S} -4 O 0 {2,S} {3,S} - - -//CFG thinks they mean oxetane -C3H6O1-3 -1 O 0 {2,S} {3,S} -2 C 0 {1,S} {4,S} -3 C 0 {1,S} {4,S} -4 C 0 {2,S} {3,S} - - -C2H3OOH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - -C3H6OOH1-3O2 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 O 0 {5,S} {7,S} -7 O 1 {6,S} - - -C3H6OOH1-2O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} -6 O 0 {2,S} {7,S} -7 O 1 {6,S} - - -C3H6OOH2-1O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} -6 O 0 {2,S} {7,S} -7 O 0 {6,S} - - -HOOCH2CHCH2OOH -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 O 0 {5,S} {7,S} -7 O 0 {6,S} - - -CH2CHOOHCH2OOH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} -6 O 0 {2,S} {7,S} -7 O 0 {6,S} - -C3KET13 -1 O 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - -C3KET12 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} {6,D} -4 O 0 {2,S} {5,S} -5 O 0 {4,S} -6 O 0 {3,D} - -C3KET21 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,D} -3 C 0 {2,S} {5,S} -4 O 0 {2,D} -5 O 0 {3,S} {6,S} -6 O 0 {5,S} - -C3H51-2,3OOH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} -6 O 0 {2,S} {7,S} -7 O 0 {6,S} - -AC3H5OOH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -C3H52-1,3OOH -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 O 0 {5,S} {7,S} -7 O 0 {6,S} - - - -C2H3OOH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - -C3H6OOH1-3O2 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 O 0 {5,S} {7,S} -7 O 1 {6,S} - - -C3H6OOH1-2O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} -6 O 0 {2,S} {7,S} -7 O 1 {6,S} - - -C3H6OOH2-1O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} -6 O 0 {2,S} {7,S} -7 O 0 {6,S} - - -HOOCH2CHCH2OOH -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 O 0 {5,S} {7,S} -7 O 0 {6,S} - - -CH2CHOOHCH2OOH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} -6 O 0 {2,S} {7,S} -7 O 0 {6,S} - -C3KET13 -1 O 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - -C3KET12 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} {6,D} -4 O 0 {2,S} {5,S} -5 O 0 {4,S} -6 O 0 {3,D} - -C3KET21 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,D} -3 C 0 {2,S} {5,S} -4 O 0 {2,D} -5 O 0 {3,S} {6,S} -6 O 0 {5,S} - -C3H51-2,3OOH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} -6 O 0 {2,S} {7,S} -7 O 0 {6,S} - -AC3H5OOH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -C3H52-1,3OOH -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 O 0 {5,S} {7,S} -7 O 0 {6,S} - -// CFG thinks they mean allyl-alcohol -C3H5OH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} - -CH2CCH2OH -1 C 0 {2,D} -2 C 1 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} - -CH2OCHO -1 C 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -CH3OCO -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} - -// RMG does not like this: "forbidden by CO3." so removing for now -- RHW -// CH3OC*OO -// 1 C 0 {2,S} -// 2 O 0 {1,S} {3,S} -// 3 C 0 {2,S} {4,D} {5,S} -// 4 O 0 {3,D} -// 5 O 1 {3,S} - -// RMG does not like this: "forbidden by CO3" so removing for now -- RHW -//CH3OC*OOO -//1 C 0 {2,S} -//2 O 0 {1,S} {3,S} -//3 C 0 {2,S} {4,D} {5,S} -//4 O 0 {3,D} -//5 O 0 {3,S} {6,S} -//6 O 1 {5,S} - -// RMG does not like this: "forbidden by CO3" so removing for now -- RHW -//CH3OC*OOOH -//1 C 0 {2,S} -//2 O 0 {1,S} {3,S} -//3 C 0 {2,S} {4,D} {5,S} -//4 O 0 {3,D} -//5 O 0 {3,S} {6,S} -//6 O 0 {5,S} - -HOOCH2OCHO -1 O 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - -OOCH2OCHO -1 O 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 1 {5,S} - -HOOCH2OC*O -1 O 0 {2,D} -2 C 1 {1,D} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - -// RMG does not like this: "forbidden by CO3" so removing for now -- RHW -//CH2OC*OOOH -//1 C 1 {2,S} -//2 O 0 {1,S} {3,S} -//3 C 0 {2,S} {4,D} {5,S} -//4 O 0 {3,D} -//5 O 0 {3,S} {6,S} -//6 O 0 {5,S} -// -//CYOCH2OC*O -//1 C 0 {2,S} {4,S} -//2 O 0 {1,S} {3,S} -//3 C 0 {2,S} {4,S} {5,D} -//4 O 0 {1,S} {3,S} -//5 O 0 {3,D} -// -//OOCH2OC*OOOH -//1 O 1 {2,S} -//2 O 0 {1,S} {3,S} -//3 C 0 {2,S} {4,S} -//4 O 0 {3,S} {5,S} -//5 C 0 {4,S} {6,D} {7,S} -//6 O 0 {5,D} -//7 O 0 {5,S} {8,S} -//8 O 0 {7,S} -// -//HOOCH2OC*OOO -//1 O 0 {2,D} -//2 C 0 {1,D} {3,S} {7,S} -//3 O 0 {2,S} {4,S} -//4 C 0 {3,S} {5,S} -//5 O 0 {4,S} {6,S} -//6 O 0 {5,S} -//7 O 0 {2,S} {8,S} -//8 O 1 {7,S} -// -//O*CHOC*OOOH -//1 O 0 {2,D} -//2 C 0 {1,D} {3,S} {6,S} -//3 O 0 {2,S} {4,S} -//4 C 0 {3,S} {5,D} -//5 O 0 {4,D} -//6 O 0 {2,S} {7,S} -//7 O 0 {6,S} - - -CHOOCO -1 O 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} {4,S} -4 C 1 {3,S} {5,D} -5 O 0 {4,D} diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/pdepreactions.txt b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/pdepreactions.txt deleted file mode 100644 index 29059f42f5..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/pdepreactions.txt +++ /dev/null @@ -1,34 +0,0 @@ -// Methylformate oxidation and pyrolysis submechanism from: -// -// S. Dooley, M. P. Burke, M. Chaos, Y. Stein, F. L. Dryer, V. P. Zhukov, O. Finch, J. M. Simmie, H. J. Curran -// Methyl formate oxidation: Speciation data, laminar burning velocities, ignition delay times, and a validated chemical kinetic model -// International Journal of Chemical Kinetics, 2010 -// DOI: 10.1002/kin.20512 -// URL: http://dx.doi.org/10.1002/kin.20512 -// -// Transcribed for RMG by Shamel Merchant on 22 July 2010 - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: -CH3OCHO (+M) <=> CH3OH + CO (+M) 2.00E+13 0.0 60000 0.0 0.0 0.0 - LOW / 2.40E+59 -11.80 71400/ - TROE/ .239 5.551E+02 8.43E+09 8.21E+09 / - -CH3OCHO (+M) <=> CH4 + CO2 (+M) 1.50E+12 0.0 59700 0.0 0.0 0.0 - LOW / 5.63E+61 -12.79 71100/ - TROE/ .179 3.575E+02 9.918E+09 3.28E+09 / - -CH3OCHO (+M) <=> CH2O + CH2O (+M) 1.00E+12 0.0 60500 0.0 0.0 0.0 - LOW / 1.55E+57 -11.57 71700/ - TROE/ .781 6.49E+09 6.18E+02 6.71E+09 / - -CH3OCHO (+M) <=> CH3 + OCHO (+M) 2.17E+24 -2.4 92600 0.0 0.0 0.0 - LOW / 5.71E+47 -8.43 98490/ - TROE/ 6.89E-15 4.73E+03 9.33E+09 1.78E+09 / - -CH3OCHO (+M) <=> CH3O + HCO (+M) 4.18E+16 0.0 97400 0.0 0.0 0.0 - LOW / 5.27E+63 -1.23E+01 109180/ - TROE/ .894 7.49E+09 6.47E+02 6.69E+08 / diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/reactions.txt b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/reactions.txt deleted file mode 100644 index 6491717cbc..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/reactions.txt +++ /dev/null @@ -1,76 +0,0 @@ -// Methylformate oxidation and pyrolysis submechanism from: -// -// S. Dooley, M. P. Burke, M. Chaos, Y. Stein, F. L. Dryer, V. P. Zhukov, O. Finch, J. M. Simmie, H. J. Curran -// Methyl formate oxidation: Speciation data, laminar burning velocities, ignition delay times, and a validated chemical kinetic model -// International Journal of Chemical Kinetics, 2010 -// DOI: 10.1002/kin.20512 -// URL: http://dx.doi.org/10.1002/kin.20512 -// -// Transcribed for RMG by Shamel Merchant on 22 July 2010 - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: -H + CH2OCHO <=> CH3OCHO 1.00E+14 0.0 0.0 0.0 0.0 0.0 -H + CH3OCO <=> CH3OCHO 1.00E+14 0.0 0.0 0.0 0.0 0.0 -CH3OCHO + H <=> CH2OCHO + H2 6.65E+05 2.5 6494 0.0 0.0 0.0 -CH3OCHO + OH <=> CH2OCHO + H2O 8.86E+12 0.1 3340 0.0 0.0 0.0 -CH3OCHO + CH3 <=> CH2OCHO + CH4 2.91E-01 3.7 6823 0.0 0.0 0.0 -CH3OCHO + HO2 <=> CH2OCHO + H2O2 5.66E+04 2.4 16594 0.0 0.0 0.0 -CH3OCHO + CH3O2 <=> CH2OCHO + CH3O2H 5.66E+04 2.4 16594 0.0 0.0 0.0 -CH3OCHO + CH3O <=> CH2OCHO + CH3OH 4.59E+09 0.5 4823 0.0 0.0 0.0 -CH3OCHO + O <=> CH2OCHO + OH 8.84E+05 2.4 4593 0.0 0.0 0.0 -CH3OCHO + O2 <=> CH2OCHO + HO2 1.53E+13 0.1 51749 0.0 0.0 0.0 -CH3OCHO + HCO <=> CH2OCHO + CH2O 1.02E+05 2.5 18430 0.0 0.0 0.0 -CH3OCHO + OCHO <=> CH2OCHO + HCOOH 5.66E+04 2.4 16594 0.0 0.0 0.0 -CH3OCHO + C2H5 <=> CH2OCHO + C2H6 1.00E+11 0.0 10400 0.0 0.0 0.0 -CH3OCHO + C2H3 <=> CH2OCHO + C2H4 1.00E+11 0.0 10400 0.0 0.0 0.0 -CH3OCHO + H <=> CH3OCO + H2 2.58E+05 2.5 5736 0.0 0.0 0.0 -CH3OCHO + OH <=> CH3OCO + H2O 1.22E+16 -1.0 4946 0.0 0.0 0.0 -CH3OCHO + CH3 <=> CH3OCO + CH4 9.21E-02 3.7 6052 0.0 0.0 0.0 -CH3OCHO + HO2 <=> CH3OCO + H2O2 1.57E+05 2.2 16544 0.0 0.0 0.0 -CH3OCHO + CH3O2 <=> CH3OCO + CH3O2H 1.57E+05 2.2 16544 0.0 0.0 0.0 -CH3OCHO + CH3O <=> CH3OCO + CH3OH 5.27E+09 0.8 2912 0.0 0.0 0.0 -CH3OCHO + O <=> CH3OCO + OH 2.45E+05 2.5 4047 0.0 0.0 0.0 -CH3OCHO + O2 <=> CH3OCO + HO2 3.85E+12 0.1 50759 0.0 0.0 0.0 -CH3OCHO + OCHO <=> CH3OCO + HCOOH 1.57E+05 2.2 16544 0.0 0.0 0.0 -CH3OCHO + HCO <=> CH3OCO + CH2O 5.40E+06 1.9 17010 0.0 0.0 0.0 -CH3OCHO + C2H5 <=> CH3OCO + C2H6 1.00E+11 0.0 10400 0.0 0.0 0.0 -CH3OCHO + C2H3 <=> CH3OCO + C2H4 1.00E+11 0.0 10400 0.0 0.0 0.0 -CH3 + CO2 <=> CH3OCO 4.76E+07 1.5 34700 0.0 0.0 0.0 -CH3O + CO <=> CH3OCO 1.55E+06 2.0 5730 0.0 0.0 0.0 -CH2OCHO <=> CH3OCO 2.62E+11 0.0 38178 0.0 0.0 0.0 -CH2O + HCO <=> CH2OCHO 3.89E+11 0.0 22000 0.0 0.0 0.0 -CH3OCO + CH3OCHO <=> CH3OCHO + CH2OCHO 3.00E+11 0.0 10400 0.0 0.0 0.0 -CH3 + CH2OCHO <=> CH3CH2OCHO 3.00E+13 0.0 0.0 0.0 0.0 0.0 -CH3 + CH3OCO <=> CH3CO2CH3 3.00E+13 0.0 0.0 0.0 0.0 0.0 -CH2OCHO + HO2 <=> HO2CH2OCHO 7.00E+12 0.0 -1000 0.0 0.0 0.0 -CH3OCO + HO2 <=> CH3OCOO2H 7.00E+12 0.0 -1000 0.0 0.0 0.0 -OCH2OCHO + OH <=> HO2CH2OCHO 1.55E+06 2.41 -4132 0.0 0.0 0.0 -CH3OCOO + OH <=> CH3OCOO2H 1.55E+06 2.41 -4132 0.0 0.0 0.0 -CO2 + CH3O <=> CH3OCOO 1.00E+11 0.0 9200 0.0 0.0 0.0 -CH2O + OCHO <=> OCH2OCHO 3.89E+11 0.0 2500 0.0 0.0 0.0 -CH3OCO + O2 <=> CH3OCOOO 4.52E+12 0.0 0.0 0.0 0.0 0.0 -CH2OCHO + O2 <=> OOCH2OCHO 4.52E+12 0.0 0.0 0.0 0.0 0.0 -OOCH2OCHO <=> HOOCH2OCO 2.47E+11 0.0 28900 0.0 0.0 0.0 -CH3OCOOO <=> CH2OCOOOH 7.41E+11 0.0 28900 0.0 0.0 0.0 -CH2O2H + CO2 <=> HOOCH2OCO 2.92E+06 1.6 36591 0.0 0.0 0.0 -OCH2O2H + CO <=> HOOCH2OCO 1.08E+07 1.6 5588 0.0 0.0 0.0 -OH + CH2O <=> CH2O2H 2.30E+10 0.0 12900 0.0 0.0 0.0 -OCH2O2H <=> CH2O + HO2 1.27E+18 -1.8 10460 0.0 0.0 0.0 -CH2OCOOOH <=> CH2O + CO2 + OH 3.80E+18 -1.5 37360 0.0 0.0 0.0 -CH2OCOOOH <=> CH2O + CO + HO2 3.80E+18 -1.5 37360 0.0 0.0 0.0 -CH2OCOOOH <=> cyOCH2OCO + OH 7.50E+10 0.0 15250 0.0 0.0 0.0 -HOOCH2OCO <=> cyOCH2OCO + OH 7.50E+10 0.0 15250 0.0 0.0 0.0 -CH2OCOOOH + O2 <=> OOCH2OCOOOH 4.52E+12 0.0 0.0 0.0 0.0 0.0 -HOOCH2OCO + O2 <=> HOOCH2OCOOO 4.52E+12 0.0 0.0 0.0 0.0 0.0 -OOCH2OCOOOH <=> OCHOCOOOH + OH 2.89E+10 0.0 21863 0.0 0.0 0.0 -HOOCH2OCOOO <=> OCHOCOOOH + OH 2.48E+11 0.0 20900 0.0 0.0 0.0 -OCHOCOOOH <=> CO2 + OCHO + OH 1.05E+16 0.0 41600 0.0 0.0 0.0 -cyOCH2OCO + H <=> CHOOCO + H2 4.80E+08 1.5 2005 0.0 0.0 0.0 -cyOCH2OCO + OH <=> CHOOCO + H2O 2.40E+06 2.0 -1192 0.0 0.0 0.0 -cyOCH2OCO + HO2 <=> CHOOCO + H2O2 4.00E+12 0.0 12976 0.0 0.0 0.0 -OCHO + CO <=> CHOOCO 1.08E+07 1.6 5588 0.0 0.0 0.0 -HCO + CO2 <=> CHOOCO 2.92E+06 1.6 36591 0.0 0.0 0.0 diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species.txt b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species.txt deleted file mode 100644 index e83336f98b..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species.txt +++ /dev/null @@ -1,253 +0,0 @@ -// Methylformate oxidation and pyrolysis submechanism from: -// -// S. Dooley, M. P. Burke, M. Chaos, Y. Stein, F. L. Dryer, V. P. Zhukov, O. Finch, J. M. Simmie, H. J. Curran -// Methyl formate oxidation: Speciation data, laminar burning velocities, ignition delay times, and a validated chemical kinetic model -// International Journal of Chemical Kinetics, 2010 -// DOI: 10.1002/kin.20512 -// URL: http://dx.doi.org/10.1002/kin.20512 -// -// Transcribed for RMG by Shamel Merchant on 22 July 2010 - - -CH3OH -1 C 0 {2,S} -2 O 0 {1,S} - -CO -1 C 2T {2,D} -2 O 0 {1,D} - -CH4 -1 C 0 - -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -CH2O -1 C 0 {2,D} -2 O 0 {1,D} - -CH3 -1 C 1 - -CH3O -1 C 0 {2,S} -2 O 1 {1,S} - -HCO -1 C 1 {2,D} -2 O 0 {1,D} - -H -1 H 1 - -H2 -1 H 0 - -OH -1 O 1 - -H2O -1 O 0 - -H2O2 -1 O 0 {2,S} -2 O 0 {1,S} - -HO2 -1 O 0 {2,S} -2 O 1 {1,S} - -O -1 O 2T - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - -C2H5 -1 C 1 {2,S} -2 C 0 {1,S} - -C2H6 -1 C 0 {2,S} -2 C 0 {1,S} - -C2H3 -1 C 1 {2,D} -2 C 0 {1,D} - -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - -CH2O2H -1 O 0 {2,S} {3,S} -2 C 1 {1,S} -3 O 0 {1,S} - -CH2OCHO -1 C 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -CH2OCOOOH -1 C 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 O 0 {3,S} {6,S} -6 O 0 {5,S} - -CH3CH2OCHO -1 C 0 {2,S} {5,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} -5 C 0 {1,S} - -CH3CO2CH3 -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 C 0 {3,S} - -CH3O2 -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 1 {2,S} - -CH3O2H -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} - -CH3OCHO -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -CH3OCO -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} - -CH3OCOO -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 O 1 {3,S} - -CH3OCOO2H -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 O 0 {3,S} {6,S} -6 O 0 {5,S} - -CH3OCOOO -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 O 0 {3,S} {6,S} -6 O 1 {5,S} - -CHOOCO -1 C 1 {2,S} {5,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 O 0 {3,S} {1,S} - -cyOCH2OCO -1 C 0 {2,S} {5,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 O 0 {3,S} {1,S} - -HCOOH -1 O 0 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -HO2CH2OCHO -1 C 0 {2,S} {5,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} -5 O 0 {1,S} {6,S} -6 O 0 {5,S} - -HOOCH2OCO -1 C 0 {2,S} {5,S} -2 O 0 {1,S} {3,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} -5 O 0 {1,S} {6,S} -6 O 0 {5,S} - -HOOCH2OCOOO -1 C 0 {2,S} {5,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {7,S} -4 O 0 {3,D} -5 O 0 {1,S} {6,S} -6 O 0 {5,S} -7 O 0 {3,S} {8,S} -8 O 1 {7,S} - -OCH2O2H -1 O 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - -OCH2OCHO -1 C 0 {2,S} {5,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} -5 O 1 {1,S} - -OCHO -1 O 1 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -OCHOCOOOH -1 C 0 {2,S} {5,D} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {6,S} -4 O 0 {3,D} -5 O 0 {1,D} -6 O 0 {3,S} {7,S} -7 O 0 {6,S} - -OOCH2OCHO -1 C 0 {2,S} {5,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} -5 O 0 {1,S} {6,S} -6 O 1 {5,S} - -OOCH2OCOOOH -1 C 0 {2,S} {7,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 O 0 {3,S} {6,S} -6 O 0 {5,S} -7 O 0 {1,S} {8,S} -8 O 1 {7,S} - diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH2O2H.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH2O2H.mol deleted file mode 100644 index f361c12635..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH2O2H.mol +++ /dev/null @@ -1,11 +0,0 @@ - - ACD/Labs07221005082D - - 3 2 0 0 0 0 0 0 0 0 2 V2000 - 28.4177 -16.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 29.7477 -16.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 27.7527 -15.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 1 3 1 0 0 0 0 -M RAD 1 2 2 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH2OCHO.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH2OCHO.mol deleted file mode 100644 index 9a41017e34..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH2OCHO.mol +++ /dev/null @@ -1,13 +0,0 @@ - - ACD/Labs07211022532D - - 4 3 0 0 0 0 0 0 0 0 2 V2000 - 26.4227 -4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 27.7527 -4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 28.4177 -5.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 29.7477 -5.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 2 0 0 0 0 -M RAD 1 1 2 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH2OCOOOH.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH2OCOOOH.mol deleted file mode 100644 index 746581f9f7..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH2OCOOOH.mol +++ /dev/null @@ -1,17 +0,0 @@ - - ACD/Labs07221005142D - - 6 5 0 0 0 0 0 0 0 0 2 V2000 - 26.5557 -4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 27.8857 -4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 28.5507 -5.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 29.8807 -5.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 27.8857 -7.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 26.5557 -7.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 2 0 0 0 0 - 3 5 1 0 0 0 0 - 5 6 1 0 0 0 0 -M RAD 1 1 2 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3CH2OCHO.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3CH2OCHO.mol deleted file mode 100644 index 6a7f414c2a..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3CH2OCHO.mol +++ /dev/null @@ -1,14 +0,0 @@ - - ACD/Labs07211023432D - - 5 4 0 0 0 0 0 0 0 0 1 V2000 - 27.0655 -4.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 28.3955 -4.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 29.0605 -6.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 30.3905 -6.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 26.4005 -3.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 2 0 0 0 0 - 1 5 1 0 0 0 0 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3CO2CH3.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3CO2CH3.mol deleted file mode 100644 index a855ffa2b9..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3CO2CH3.mol +++ /dev/null @@ -1,14 +0,0 @@ - - ACD/Labs07211023442D - - 5 4 0 0 0 0 0 0 0 0 1 V2000 - 26.4227 -4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 27.7527 -4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 28.4177 -5.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 29.7477 -5.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 27.7527 -7.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 2 0 0 0 0 - 3 5 1 0 0 0 0 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3O2.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3O2.mol deleted file mode 100644 index 4352c40bbe..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3O2.mol +++ /dev/null @@ -1,11 +0,0 @@ - - ACD/Labs07211023132D - - 3 2 0 0 0 0 0 0 0 0 2 V2000 - 24.8045 -16.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 26.1345 -16.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 26.7995 -17.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 -M RAD 1 3 2 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3O2H.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3O2H.mol deleted file mode 100644 index 58739aace8..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3O2H.mol +++ /dev/null @@ -1,10 +0,0 @@ - - ACD/Labs07211023122D - - 3 2 0 0 0 0 0 0 0 0 1 V2000 - 24.8045 -16.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 26.1345 -16.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 26.7995 -17.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3OCHO.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3OCHO.mol deleted file mode 100644 index c98594d2cb..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3OCHO.mol +++ /dev/null @@ -1,12 +0,0 @@ - - ACD/Labs07211022422D - - 4 3 0 0 0 0 0 0 0 0 1 V2000 - 25.2257 -13.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 26.5557 -13.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 27.2207 -15.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 28.5507 -15.0503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 2 0 0 0 0 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3OCO.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3OCO.mol deleted file mode 100644 index 4640ffb6f7..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3OCO.mol +++ /dev/null @@ -1,13 +0,0 @@ - - ACD/Labs07211023022D - - 4 3 0 0 0 0 0 0 0 0 2 V2000 - 26.4227 -4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 27.7527 -4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 28.4177 -5.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 29.7477 -5.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 2 0 0 0 0 -M RAD 1 3 2 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3OCOO.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3OCOO.mol deleted file mode 100644 index d12ffda04b..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3OCOO.mol +++ /dev/null @@ -1,15 +0,0 @@ - - ACD/Labs07211023552D - - 5 4 0 0 0 0 0 0 0 0 2 V2000 - 26.4227 -4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 27.7527 -4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 28.4177 -5.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 29.7477 -5.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 27.7527 -7.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 2 0 0 0 0 - 3 5 1 0 0 0 0 -M RAD 1 5 2 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3OCOO2H.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3OCOO2H.mol deleted file mode 100644 index c42ceb022b..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3OCOO2H.mol +++ /dev/null @@ -1,16 +0,0 @@ - - ACD/Labs07211023492D - - 6 5 0 0 0 0 0 0 0 0 1 V2000 - 26.4227 -4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 27.7527 -4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 28.4177 -5.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 29.7477 -5.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 27.7527 -7.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 26.4227 -7.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 2 0 0 0 0 - 3 5 1 0 0 0 0 - 5 6 1 0 0 0 0 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3OCOOO.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3OCOOO.mol deleted file mode 100644 index 7846814ae0..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CH3OCOOO.mol +++ /dev/null @@ -1,17 +0,0 @@ - - ACD/Labs07221000062D - - 6 5 0 0 0 0 0 0 0 0 2 V2000 - 26.8882 -4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 28.2182 -4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 28.8832 -5.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 30.2132 -5.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 28.2182 -7.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 26.8882 -7.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 2 0 0 0 0 - 3 5 1 0 0 0 0 - 5 6 1 0 0 0 0 -M RAD 1 6 2 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CHOOCO.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CHOOCO.mol deleted file mode 100644 index 45bd06977f..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/CHOOCO.mol +++ /dev/null @@ -1,16 +0,0 @@ - - ACD/Labs07221005362D - - 5 5 0 0 0 0 0 0 0 0 2 V2000 - 26.6675 -5.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 27.8193 -4.9871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 28.4843 -6.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 29.7689 -6.4831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 27.3325 -6.8039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 2 0 0 0 0 - 3 5 1 0 0 0 0 - 1 5 1 0 0 0 0 -M RAD 1 1 2 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/HCOOH.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/HCOOH.mol deleted file mode 100644 index f922ea8dbb..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/HCOOH.mol +++ /dev/null @@ -1,10 +0,0 @@ - - ACD/Labs07211023162D - - 3 2 0 0 0 0 0 0 0 0 1 V2000 - 27.2428 -4.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 28.5728 -4.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 29.2378 -6.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 2 0 0 0 0 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/HO2CH2OCHO.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/HO2CH2OCHO.mol deleted file mode 100644 index 563c66f690..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/HO2CH2OCHO.mol +++ /dev/null @@ -1,16 +0,0 @@ - - ACD/Labs07211023472D - - 6 5 0 0 0 0 0 0 0 0 1 V2000 - 27.0655 -4.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 28.3955 -4.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 29.0605 -6.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 30.3905 -6.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 26.4005 -3.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 25.0705 -3.7470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 2 0 0 0 0 - 1 5 1 0 0 0 0 - 5 6 1 0 0 0 0 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/HOOCH2OCO.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/HOOCH2OCO.mol deleted file mode 100644 index fed05d4f0a..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/HOOCH2OCO.mol +++ /dev/null @@ -1,17 +0,0 @@ - - ACD/Labs07221004532D - - 6 5 0 0 0 0 0 0 0 0 2 V2000 - 27.8857 -5.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 29.2157 -5.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 29.8807 -7.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 31.2107 -7.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 27.2207 -4.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 25.8907 -4.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 2 0 0 0 0 - 1 5 1 0 0 0 0 - 5 6 1 0 0 0 0 -M RAD 1 3 2 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/HOOCH2OCOOO.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/HOOCH2OCOOO.mol deleted file mode 100644 index f642da2443..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/HOOCH2OCOOO.mol +++ /dev/null @@ -1,21 +0,0 @@ - - ACD/Labs07221005232D - - 8 7 0 0 0 0 0 0 0 0 2 V2000 - 27.8857 -5.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 29.2157 -5.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 29.8807 -7.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 31.2107 -7.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 27.2207 -4.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 25.8907 -4.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 29.2157 -8.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 27.8857 -8.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 2 0 0 0 0 - 1 5 1 0 0 0 0 - 5 6 1 0 0 0 0 - 3 7 1 0 0 0 0 - 7 8 1 0 0 0 0 -M RAD 1 8 2 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/OCH2O2H.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/OCH2O2H.mol deleted file mode 100644 index 1c30a143bc..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/OCH2O2H.mol +++ /dev/null @@ -1,13 +0,0 @@ - - ACD/Labs07221005132D - - 4 3 0 0 0 0 0 0 0 0 2 V2000 - 27.5753 -17.7998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 28.9053 -17.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 29.5703 -18.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 30.9003 -18.9517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 1 0 0 0 0 -M RAD 1 1 2 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/OCH2OCHO.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/OCH2OCHO.mol deleted file mode 100644 index b8604e2daf..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/OCH2OCHO.mol +++ /dev/null @@ -1,15 +0,0 @@ - - ACD/Labs07211023522D - - 5 4 0 0 0 0 0 0 0 0 2 V2000 - 27.0655 -4.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 28.3955 -4.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 29.0605 -6.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 30.3905 -6.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 26.4005 -3.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 2 0 0 0 0 - 1 5 1 0 0 0 0 -M RAD 1 5 2 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/OCHO.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/OCHO.mol deleted file mode 100644 index c887b4cfe7..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/OCHO.mol +++ /dev/null @@ -1,11 +0,0 @@ - - ACD/Labs07211022492D - - 3 2 0 0 0 0 0 0 0 0 2 V2000 - 25.1148 -14.6743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 26.4448 -14.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 27.1098 -15.8261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 2 0 0 0 0 -M RAD 1 1 2 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/OCHOCOOOH.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/OCHOCOOOH.mol deleted file mode 100644 index b564cfc8c7..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/OCHOCOOOH.mol +++ /dev/null @@ -1,18 +0,0 @@ - - ACD/Labs07221005322D - - 7 6 0 0 0 0 0 0 0 0 1 V2000 - 27.8857 -5.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 29.2157 -5.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 29.8807 -7.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 31.2107 -7.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 27.2207 -4.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 29.2157 -8.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 27.8857 -8.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 2 0 0 0 0 - 1 5 2 0 0 0 0 - 3 6 1 0 0 0 0 - 6 7 1 0 0 0 0 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/OOCH2OCHO.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/OOCH2OCHO.mol deleted file mode 100644 index a57ed8eea5..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/OOCH2OCHO.mol +++ /dev/null @@ -1,17 +0,0 @@ - - ACD/Labs07221000092D - - 6 5 0 0 0 0 0 0 0 0 2 V2000 - 27.8857 -5.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 29.2157 -5.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 29.8807 -7.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 31.2107 -7.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 27.2207 -4.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 25.8907 -4.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 2 0 0 0 0 - 1 5 1 0 0 0 0 - 5 6 1 0 0 0 0 -M RAD 1 6 2 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/OOCH2OCOOOH.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/OOCH2OCOOOH.mol deleted file mode 100644 index b7d2593f68..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/OOCH2OCOOOH.mol +++ /dev/null @@ -1,21 +0,0 @@ - - ACD/Labs07221005192D - - 8 7 0 0 0 0 0 0 0 0 2 V2000 - 27.0655 -4.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 28.3955 -4.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 29.0605 -6.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 30.3905 -6.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 28.3955 -7.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 27.0655 -7.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 26.4005 -3.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 25.0705 -3.7470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 2 0 0 0 0 - 3 5 1 0 0 0 0 - 5 6 1 0 0 0 0 - 1 7 1 0 0 0 0 - 7 8 1 0 0 0 0 -M RAD 1 8 2 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/cyOCH2OCO.mol b/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/cyOCH2OCO.mol deleted file mode 100644 index 6fb3424ddd..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_2/species_molfiles/cyOCH2OCO.mol +++ /dev/null @@ -1,15 +0,0 @@ - - ACD/Labs07221005172D - - 5 5 0 0 0 0 0 0 0 0 1 V2000 - 26.6675 -5.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 27.8193 -4.9871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 28.4843 -6.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 29.7689 -6.4831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 27.3325 -6.8039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 2 0 0 0 0 - 3 5 1 0 0 0 0 - 1 5 1 0 0 0 0 -M END diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_ARHEbathgas/README.txt b/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_ARHEbathgas/README.txt deleted file mode 100644 index d66bb1012f..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_ARHEbathgas/README.txt +++ /dev/null @@ -1,15 +0,0 @@ -// MRH 15-APR-2011 - -1) Copy and pasted entire Dooley et al. mechanism to reactions.txt file -2) By hand, moved pressure-dependent reactions to pdepreactions.txt file -3) Replace "!" with "//" -4) Add " 0.0 0.0 0.0" to end of each high-p limit kinetics -5) Place comments from end of high-p kinetics line to next line -6) Replace "<=>" with " <=> " -7) pdepreactions.txt: - : Change "PRESSURE DEPENDANCE" to PLOG format - : Comment reactions that have "+AR" and "+HE" -8) reactions.txt: Replace "2CH2OH" with "CH2OH+CH2OH" - : Replace "2CH3O" with "CH3O+CH3O" - : Replace "C3KET21" with "CH3COCH2O2H" - : Replace "HOOCH2OCHO" with "HO2CH2OCHO" \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_ARHEbathgas/pdepreactions.txt b/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_ARHEbathgas/pdepreactions.txt deleted file mode 100644 index 2206b37bb5..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_ARHEbathgas/pdepreactions.txt +++ /dev/null @@ -1,637 +0,0 @@ -// MRH - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - -// TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) -H2+M = H+H+M 4.577E+19 -1.40 1.0438E+05 0.0 0.0 0.0 - H2/2.5/ H2O/12/ - CO/1.9/ CO2/3.8/ - AR/0.0/ HE/0.0/ - -// TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) -//H2+AR = H+H+AR 5.840E+18 -1.10 1.0438E+05 0.0 0.0 0.0 -//H2+HE = H+H+HE 5.840E+18 -1.10 1.0438E+05 0.0 0.0 0.0 - -// TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) -O+O+M = O2+M 6.165E+15 -0.50 0.000E+00 0.0 0.0 0.0 - H2/2.5/ H2O/12/ - AR/0.0/ HE/0.0/ - CO/1.9/ CO2/3.8/ - -// TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) -//O+O+AR = O2+AR 1.886E+13 0.00 -1.788E+03 0.0 0.0 0.0 -//O+O+HE = O2+HE 1.886E+13 0.00 -1.788E+03 0.0 0.0 0.0 - -// TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) -O+H+M = OH+M 4.714E+18 -1.00 0.000E+00 0.0 0.0 0.0 - H2/2.5/ H2O/12/ - AR/0.75/ HE/0.75/ - CO/1.9/ CO2/3.8/ - -// TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) -// H+OH+M = H2O+M 2.212E+22 -2.00 0.000E+00 -H+OH+M = H2O+M 3.800E+22 -2.00 0.000E+00 0.0 0.0 0.0 - H2/2.5/ H2O/12/ - AR/0.38/ HE/0.38/ - CO/1.9/ CO2/3.8/ - -//FORMATION AND CONSUMPTION OF HO2 - -// COBOS ET AL., J. PHYS. CHEM. 89:342 (1985) FOR KINF -// MICHAEL, ET AL., J. PHYS. CHEM. A, 106:5297 (2002) FOR K0 - -//================================================================================= -// MAIN BATH GAS IS N2 (COMMENT THIS REACTION OTHERWISE) -// -//H+O2(+M) = HO2(+M) 1.475E+12 0.60 0.000E+00 0.0 0.0 0.0 -// LOW/6.366E+20 -1.72 5.248E+02/ -// TROE/0.8 1E-30 1E+30/ -// H2/2.0/ H2O/11./ O2/0.78/ CO/1.9/ CO2/3.8/ - - -//================================================================================= -// MAIN BATH GAS IS AR OR HE (COMMENT THIS REACTION OTHERWISE) -// -H+O2(+M) = HO2(+M) 1.475E+12 0.60 0.000E+00 0.0 0.0 0.0 - LOW/9.042E+19 -1.50 4.922E+02/ - TROE/0.5 1E-30 1E+30/ - H2/3.0/ H2O/16/ O2/1.1/ CO/2.7/ CO2/5.4/ HE/1.2/ - -// BROUWER ET AL., J. CHEM. PHYS. 86:6171 (1987) FOR KINF -// WARNATZ, J. IN COMBUSTION CHEMISTRY (1984) FOR K0 -H2O2(+M) = OH+OH(+M) 2.951E+14 0.00 4.843E+04 0.0 0.0 0.0 - LOW/1.202E+17 0.00 4.550E+04/ - TROE/0.5 1E-30 1E+30/ - H2/2.5/ H2O/12/ - CO/1.9/ CO2/3.8/ - AR/0.64/ HE/0.64/ - -//WKM CONSTRUCTED BY MCHAOS -// TROE, 15TH SYMPOSIUM -CO+O(+M) = CO2(+M) 1.800E+10 0.00 2.384E+03 0.0 0.0 0.0 -// FIT OF WESTMORELAND, AICHE J., 1986, REL. TO N2 - TIM ADJUSTED FROM MTA'S -// RATE CONSTANT, WHICH WAS REL TO AR. - LOW/1.550E+24 -2.79 4.191E+03/ - H2/2.5/ H2O/12/ AR/0.87/ CO/1.9/ CO2/3.8/ - -// LEAST SQUARES FIT TO AVAILABLE EXPERIMENTAL RESULTS -HCO+M = H+CO+M 4.7485E+11 0.659 1.4874E+04 0.0 0.0 0.0 - H2/2.5/ H2O/6/ CO/1.9/ CO2/3.8/ - -//DIRECTION CHANGE -//OCHO+M = H+CO2+M 5.315E+14 -0.35 1.758E+04 -//REV/ 7.500E+13 0.00 2.900E+04 / -H+CO2+M = OCHO+M 7.500E+13 0.00 2.900E+04 0.0 0.0 0.0 - -// FRIEDRICHS ET AL., IJCK 2004, 36, 157 -CH2O + M = HCO + H + M 3.300E+39 -6.30 9.990E+04 0.0 0.0 0.0 - H2/2.5/ H2O/12.0/ CO/1.9/ CO2/3.8/ AR/0.7/ - -CH2O + M = CO + H2 + M 3.100E+45 -8.00 9.751E+04 0.0 0.0 0.0 - H2/2.5/ H2O/12.0/ CO/1.9/ CO2/3.8/ AR/0.7/ - -// --- USED IN LI ET AL. (IJCK, SUBMITTED) --- -// WALTER ET AL. 23RD SYMP. (INT.) COMBUST. P107 (1990) -// CH3+CH3(+M) = C2H6(+M) 9.214E+16 -1.17 6.358E+02 -// LOW/1.135E+36 -5.246 1.705E+03/ -// TROE/0.405 1120. 69.6 1.E+15/ -// H2/2/ H2O/5/ CO/2/ CO2/3/ - -// WANG ET AL., JPC A 107:11414 (2003) -CH3+CH3(+M) = C2H6(+M) 2.277E+15 -0.69 1.7486E+02 0.0 0.0 0.0 - LOW/8.054E+31 -3.75 9.816E+02/ - TROE/0.0 570.0 0.0 1.E+30/ - H2O/5/ CO/2/ CO2/3/ - -// GRI 1.2 -CH3+H(+M) = CH4(+M) 1.270E+16 -0.630 3.830E+02 0.0 0.0 0.0 - LOW / 2.477E+33 -4.760 2440.00/ - TROE/ 0.7830 74.00 2941.00 6964.00 / - H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN AND PITZ RATE EXPRESSIONS FOR CH3O2 SYSTEM. -CH3+O2(+M) = CH3O2(+M) 1.006E+08 1.63 0.000E+00 0.0 0.0 0.0 -////REV/ 7.282E+13 0.42 3.333E+04 / -LOW / 3.8160E+31 -4.8900E+00 3.4320E+03 / -TROE / 4.5000E-02 8.8010E+02 2.5000E+09 1.7860E+09 / //TROE FALL-OFF REACTION - -// CRIBB ET AL. COMBUST FLAME, 88:186 (1992) -CH2OH+M = CH2O+H+M 1.000E+14 0.00 2.510E+04 0.0 0.0 0.0 - -// PAGE ET AL., JPC, 93:4404 (1989) -CH3O+M = CH2O+H+M 8.300E+17 -1.20 1.550E+04 0.0 0.0 0.0 -//MC LIN - -// GRI-3.0 -OH+CH3(+M) = CH3OH(+M) 2.790E+18 -1.43 1.330E+03 0.0 0.0 0.0 - LOW / 4.000E+36 -5.920 3140.00/ - TROE/ .4120 195.0 5900.00 6394.00/ - H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - -H+CH2OH(+M) = CH3OH(+M) 1.055E+12 0.50 8.600E+01 0.0 0.0 0.0 - LOW / 4.360E+31 -4.650 5080.00/ - TROE/ .600 100.00 90000.0 10000.0 / - H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - -H+CH3O(+M) = CH3OH(+M) 2.430E+12 0.515 5.000E+01 0.0 0.0 0.0 - LOW / 4.660E+41 -7.440 14080.0/ - TROE/ .700 100.00 90000.0 10000.00 / - H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - -// GRI-3.0 -CH2(S)+H2O(+M) = CH3OH(+M) 4.820E+17 -1.16 1.145E+03 0.0 0.0 0.0 - LOW / 1.880E+38 -6.360 5040.00/ - TROE/ .6027 208.00 3922.00 10180.0 / - H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - -// GRI-1.2 -CH2+H(+M) = CH3(+M) 2.500E+16 -0.80 0.000E+00 0.0 0.0 0.0 - LOW / 3.200E+27 -3.140 1230.00/ - TROE/ 0.6800 78.00 1995.00 5590.00 / - H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ - -CH2+CO(+M) = CH2CO(+M) 8.100E+11 0.50 4.510E+03 0.0 0.0 0.0 - LOW / 2.690E+33 -5.110 7095.00/ - TROE/ 0.5907 275.00 1226.00 5185.00 / - H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ - - // N2 ASSUMED = AR -CH2(S)+M = CH2+M 9.000E+12 0.00 6.000E+02 0.0 0.0 0.0 - H2O/0.0/ CO/0.0/ CO2/0.0/ AR/0.0/ - -//CH2(S)+AR = CH2+AR 9.000E+12 0.00 6.000E+02 0.0 0.0 0.0 - -// USED ORIGINALLY IN JUAN LI'S PHD THESIS, UPDATED ABOVE IN THE CH3OH SECTION -// GRI-3.0 -// CH2(S)+H2O(+M) = CH3OH(+M) 2.000E+13 0.00 0.000E+00 -// LOW / 2.700E+38 -6.300 3100.00/ -// TROE/ 0.1507 134.00 2383.00 7265.00 / -// H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ -// - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H5+H(+M) = C2H6(+M) 5.210E+17 -0.99 1.580E+03 0.0 0.0 0.0 -LOW / 1.9900E+41 -7.0800E+00 6.6850E+03 / -TROE / 8.4200E-01 1.2500E+02 2.2190E+03 6.8820E+03 / //TROE FALL-OFF REACTION -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 (X 1.5 (WKM)) -H+C2H4(+M) = C2H5(+M) 8.100E+11 0.454 1820.00 0.0 0.0 0.0 - LOW / 9.000E+41 -7.620 6970.00/ - TROE/ .9753 210.00 984.00 4374.00 / -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -CH3CO(+M) = CH3+CO(+M) 3.000E+12 0.00 1.672E+04 0.0 0.0 0.0 -LOW / 1.2000E+15 0.0000E+00 1.2518E+04 / //LINDEMANN FALL-OFF REACTION - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN -//ANALOGY TO CH3CO=CH3+CO -CH3CO2+M = CH3+CO2+M 4.400E+15 0.00 1.050E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FRANK, P.; BHASKARAN, K.A.; JUST, TH. -//ACETYLENE OXIDATION: THE REACTION C2H2 + O AT HIGH TEMPERATURES -//SYMP. INT. COMBUST. PROC. 21, 885 (1988) -HCCO+M = CH+CO+M 6.500E+15 0.00 5.882E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN LITERATURE SEARCH -C2H3+H(+M) = C2H4(+M) 1.360E+14 0.17 6.600E+02 0.0 0.0 0.0 -LOW / 1.4000E+30 -3.8600E+00 3.3200E+03 / -TROE / 7.8200E-01 2.0750E+02 2.6630E+03 6.0950E+03 / //TROE FALL-OFF REACTION -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H4(+M) = C2H2+H2(+M) 8.000E+12 0.44 8.877E+04 0.0 0.0 0.0 -LOW / 1.5800E+51 -9.3000E+00 9.7800E+04 / -TROE / 7.3500E-01 1.8000E+02 1.0350E+03 5.4170E+03 / //TROE FALL-OFF REACTION -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H2+H(+M) = C2H3(+M) 5.600E+12 0.00 2.400E+03 0.0 0.0 0.0 -LOW / 3.8000E+40 -7.2700E+00 7.2200E+03 / -TROE / 7.5100E-01 9.8500E+01 1.3020E+03 4.1670E+03 / //TROE FALL-OFF REACTION -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H+H(+M) = C2H2(+M) 1.000E+17 0.00 0.000E+00 0.0 0.0 0.0 -LOW / 3.7500E+33 -4.8000E+00 1.9000E+03 / -TROE / 6.4600E-01 1.3200E+02 1.3150E+03 5.5660E+03 / //TROE FALL-OFF REACTION -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH(+M) = CH2OH+CH3(+M) 5.710E+23 -1.68 9.440E+04 0.0 0.0 0.0 -LOW / 3.1100E+85 -1.8840E+01 1.1310E+05 / -TROE / 5.0000E-01 5.5000E+02 8.2500E+02 6.1000E+03 / //TROE FALL-OFF REACTION -H2/2/ H2O/5/ CO/2/ CO2/3/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH(+M) = C2H5+OH(+M) 2.400E+23 -1.62 9.954E+04 0.0 0.0 0.0 -LOW / 5.1100E+85 -1.8800E+01 1.1877E+05 / -TROE / 5.0000E-01 6.5000E+02 8.0000E+02 1.0000E+15 / //TROE FALL-OFF REACTION -H2/2/ H2O/5/ CO/2/ CO2/3/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH(+M) = C2H4+H2O(+M) 2.790E+13 0.09 6.614E+04 0.0 0.0 0.0 -LOW / 2.5700E+83 -1.8850E+01 8.6453E+04 / -TROE / 7.0000E-01 3.5000E+02 8.0000E+02 3.8000E+03 / //TROE FALL-OFF REACTION -H2O/5/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH(+M) = CH3CHO+H2(+M) 7.240E+11 0.10 9.101E+04 0.0 0.0 0.0 -LOW / 4.4600E+87 -1.9420E+01 1.1558E+05 / -TROE / 9.0000E-01 9.0000E+02 1.1000E+03 3.5000E+03 / //TROE FALL-OFF REACTION -H2O/5/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH3(+M) = CH3CO+CH3(+M) 7.108E+21 -1.57 8.468E+04 0.0 0.0 0.0 -LOW / 7.0130E+89 -2.0380E+01 1.0715E+05 / -TROE / 8.6300E-01 1.0000E+10 4.1640E+02 3.2900E+09 / //TROE FALL-OFF REACTION - -//WKM -//NEW DME RATE CONSTANTS FROM CURRAN. -//PRIVATE COMMUNICATION -//UNIMOLECULAR DECOMPOSITION OF DME (BATH GAS: N2) -CH3OCH3(+M) <=> CH3+CH3O(+M) 4.848E+21 -1.560 8.313E+04 0.0 0.0 0.0 -LOW / 1.118E+71 -1.4530E+01 1.0043E+05 / -TROE / 8.4300E-01 9.4900E+09 5.5636E+02 6.7100E+09 / //TROE FALL-OFF REACTION - -//HEALY ET AL C&F, 155: 451 461 (2008) -//OEHSCHLAEGER ET AL. -//PROC COMB INST 30 (2005) 1119-1127 -C3H8(+M) = CH3+C2H5(+M) 1.290E+37 -5.84 9.738E+04 0.0 0.0 0.0 -LOW / 5.6400E+74 -1.5740E+01 9.8714E+04 / -TROE / 3.1000E-01 5.0000E+01 3.0000E+03 9.0000E+03 / //TROE FALL-OFF REACTION -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-A+H(+M) = C3H6(+M) 2.00E+14 0.0 0.0 0.0 0.0 0.0 -LOW / 1.33E+60 -12.00 5967.8 / -TROE / 0.020 1096.6 1096.6 6859.5 / -H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/ - -//LASKIN ET AL. IJCK 32 589-614 2000 -C2H3+CH3(+M) = C3H6(+M) 2.500E+13 0.0 0.0 0.0 0.0 0.0 -LOW / 4.270E+58 -11.940 9769.80/ -TROE / 0.175 1340.6 60000.0 10139.8 / -H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/C2H2/3.00/ C2H4/3.00/ - -//LASKIN ET AL IJCK 32 589-614 2000 -////////////////////////////PRESSURE DEPENDANT//////////////////////////////////////////////////////////////////// -//C3H6+H = C2H4+CH3 8.80E+16 -1.05 6461.0 //91TSA RRKM 0.1 ATM -//C3H6+H = C2H4+CH3 8.00E+21 -2.39 11180.0 //91TSA RRKM 1 ATM -//C3H6+H = C2H4+CH3 3.30E+24 -3.04 15610.0 //91TSA RRKM 10 ATM -// High-P limit is the reported 10atm rate. -C3H6+H = C2H4+CH3 3.30E+24 -3.04 15610.0 0.0 0.0 0.0 -PLOG / 0.1 8.80E+16 -1.05 6461.0 / -PLOG / 1 8.00E+21 -2.39 11180.0 / -PLOG / 10 3.30E+24 -3.04 15610.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////////////PRESSURE DEPENDANCE//////////////////////////////////////////////////// -//C3H5-A+OH = C2H3CHO+H+H 5.30E+37 -6.71 29306.0 //91TSA RRKM 0.1 ATM -//C3H5-A+OH = C2H3CHO+H+H 4.20E+32 -5.16 30126.0 //91TSA RRKM 1 ATM -//C3H5-A+OH = C2H3CHO+H+H 1.60E+20 -1.56 26330.0 //91TSA RRKM 10 ATM -// High-P limit is the reported 10atm rate. -C3H5-A+OH = C2H3CHO+H+H 1.60E+20 -1.56 26330.0 0.0 0.0 0.0 -PLOG / 0.1 5.30E+37 -6.71 29306.0 / -PLOG / 1 4.20E+32 -5.16 30126.0 / -PLOG / 10 1.60E+20 -1.56 26330.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////////////PRESSURE DEPENDANCE//////////////////////////////////////////////////// -//C3H5-A+O2 = C3H4-A+HO2 4.99E+15 -1.40 22428.0 //93BOZ/DEA RRKM 1 ATM -//C3H5-A+O2 = C3H4-A+HO2 2.18E+21 -2.85 30755.0 //93BOZ/DEA RRKM 10 ATM -// High-P limit is the reported 10atm rate. -C3H5-A+O2 = C3H4-A+HO2 2.18E+21 -2.85 30755.0 0.0 0.0 0.0 -PLOG / 1 4.99E+15 -1.40 22428.0 / -PLOG / 10 2.18E+21 -2.85 30755.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////////////PRESSURE DEPENDANCE//////////////////////////////////////////////////// -//C3H5-A+O2 = CH3CO+CH2O 1.19E+15 -1.01 20128.0 //93BOZ/DEA RRKM 1 ATM -//C3H5-A+O2 = CH3CO+CH2O 7.14E+15 -1.21 21046.0 //93BOZ/DEA RRKM 10 ATM -// High-P limit is the reported 10atm rate. -C3H5-A+O2 = CH3CO+CH2O 7.14E+15 -1.21 21046.0 0.0 0.0 0.0 -PLOG / 1 1.19E+15 -1.01 20128.0 / -PLOG / 10 7.14E+15 -1.21 21046.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////////////PRESSURE DEPENDANCE//////////////////////////////////////////////////// -//C3H5-A+O2 = C2H3CHO+OH 1.82E+13 -0.41 22859.0 //93BOZ/DEA RRKM 1 ATM -//C3H5-A+O2 = C2H3CHO+OH 2.47E+13 -0.45 23017.0 //93BOZ/DEA RRKM 10 ATM -// High-P limit is the reported 10atm rate. -C3H5-A+O2 = C2H3CHO+OH 2.47E+13 -0.45 23017.0 0.0 0.0 0.0 -PLOG / 1 1.82E+13 -0.41 22859.0 / -PLOG / 10 2.47E+13 -0.45 23017.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////////////PRESSURE DEPENDANCE//////////////////////////////////////////////////// -//C3H5-A = C3H5-T 7.06E+56 -14.08 75868.0 //99DAV/LAW RRKM 1 ATM -//C3H5-A = C3H5-T 4.80E+55 -13.59 75949.0 //99DAV/LAW RRKM 2 ATM -//C3H5-A = C3H5-T 4.86E+53 -12.81 75883.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C3H5-A = C3H5-T 4.86E+53 -12.81 75883.0 0.0 0.0 0.0 -PLOG / 1 7.06E+56 -14.08 75868.0 / -PLOG / 2 4.80E+55 -13.59 75949.0 / -PLOG / 5 4.86E+53 -12.81 75883.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////////////PRESSURE DEPENDANCE//////////////////////////////////////////////////// -//C3H5-A = C3H5-S 5.00E+51 -13.02 73300.0 //99DAV/LAW RRKM 1 ATM -//C3H5-A = C3H5-S 9.70E+48 -11.73 73700.0 //99DAV/LAW RRKM 10 ATM -//C3H5-A = C3H5-S 4.86E+44 -9.84 73400.0 //99DAV/LAW RRKM 100 ATM -// High-P limit is the reported 100 atm rate. -C3H5-A = C3H5-S 4.86E+44 -9.84 73400.0 0.0 0.0 0.0 -PLOG / 1 5.00E+51 -13.02 73300.0 / -PLOG / 10 9.70E+48 -11.73 73700.0 / -PLOG / 100 4.86E+44 -9.84 73400.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////////////////////////////////////////// -//C2H2+CH3 = C3H5-A 2.68E+53 -12.82 35730.0 //99DAV/LAW RRKM 1 ATM -//C2H2+CH3 = C3H5-A 3.64E+52 -12.46 36127.0 //99DAV/LAW RRKM 2 ATM -//C2H2+CH3 = C3H5-A 1.04E+51 -11.89 36476.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C2H2+CH3 = C3H5-A 1.04E+51 -11.89 36476.0 0.0 0.0 0.0 -PLOG / 1 2.68E+53 -12.82 35730.0 / -PLOG / 2 3.64E+52 -12.46 36127.0 / -PLOG / 5 1.04E+51 -11.89 36476.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C2H2+CH3 = C3H5-S 3.20E+35 -7.76 13300.0 //99DAV/LAW RRKM 1 ATM -//C2H2+CH3 = C3H5-S 2.40E+38 -8.21 17100.0 //99DAV/LAW RRKM 10 ATM -//C2H2+CH3 = C3H5-S 1.40E+39 -8.06 20200.0 //99DAV/LAW RRKM 100 ATM -// High-P limit is the reported 100 atm rate. -C2H2+CH3 = C3H5-S 1.40E+39 -8.06 20200.0 0.0 0.0 0.0 -PLOG / 1 3.20E+35 -7.76 13300.0 / -PLOG / 10 2.40E+38 -8.21 17100.0 / -PLOG / 100 1.40E+39 -8.06 20200.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////// -//C2H2+CH3 = C3H5-T 4.99E+22 -4.39 18850.0 //99DAV/LAW RRKM 1 ATM -//C2H2+CH3 = C3H5-T 6.00E+23 -4.60 19571.0 //99DAV/LAW RRKM 2 ATM -//C2H2+CH3 = C3H5-T 7.31E+25 -5.06 21150.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C2H2+CH3 = C3H5-T 7.31E+25 -5.06 21150.0 0.0 0.0 0.0 -PLOG / 1 4.99E+22 -4.39 18850.0 / -PLOG / 2 6.00E+23 -4.60 19571.0 / -PLOG / 5 7.31E+25 -5.06 21150.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////////// PRESSURE DEPENDANCE //////////////////////////////////////////// -//C3H5-T = C3H5-S 1.50E+48 -12.71 53900.0 //99DAV/LAW RRKM 1 ATM -//C3H5-T = C3H5-S 5.10E+52 -13.37 57200.0 //99DAV/LAW RRKM 10 ATM -//C3H5-T = C3H5-S 5.80E+51 -12.43 59200.0 //99DAV/LAW RRKM 100 ATM -// High-P limit is the reported 100 atm rate. -C3H5-T = C3H5-S 5.80E+51 -12.43 59200.0 0.0 0.0 0.0 -PLOG / 1 1.50E+48 -12.71 53900.0 / -PLOG / 10 5.10E+52 -13.37 57200.0 / -PLOG / 100 5.80E+51 -12.43 59200.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C2H2+CH3 = C3H4-A+H 5.14E+09 0.86 22153.0 //99DAV/LAW RRKM 1 ATM -//C2H2+CH3 = C3H4-A+H 1.33E+10 0.75 22811.0 //99DAV/LAW RRKM 2 ATM -//C2H2+CH3 = C3H4-A+H 9.20E+10 0.54 23950.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C2H2+CH3 = C3H4-A+H 9.20E+10 0.54 23950.0 0.0 0.0 0.0 -PLOG / 1 5.14E+09 0.86 22153.0 / -PLOG / 2 1.33E+10 0.75 22811.0 / -PLOG / 5 9.20E+10 0.54 23950.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////////// PRESSURE DEPENDANCE //////////////////////////////////// -//C3H4-A+H = C3H5-S 5.40E+29 -6.09 16300.0 //99DAV/LAW RRKM 1 ATM -//C3H4-A+H = C3H5-S 2.60E+31 -6.23 18700.0 //99DAV/LAW RRKM 10 ATM -//C3H4-A+H = C3H5-S 3.20E+31 -5.88 21500.0 //99DAV/LAW RRKM 100 ATM -// High-P limit is the reported 100 atm rate. -C3H4-A+H = C3H5-S 3.20E+31 -5.88 21500.0 0.0 0.0 0.0 -PLOG / 1 5.40E+29 -6.09 16300.0 / -PLOG / 10 2.60E+31 -6.23 18700.0 / -PLOG / 100 3.20E+31 -5.88 21500.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////////// PRESSURE DEPENDANCE //////////////////////////////////// -//C3H4-A+H = C3H5-T 9.46E+42 -9.43 11190.0 //99DAV/LAW RRKM 1 ATM -//C3H4-A+H = C3H5-T 8.47E+43 -9.59 12462.0 //99DAV/LAW RRKM 2 ATM -//C3H4-A+H = C3H5-T 6.98E+44 -9.70 14032.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C3H4-A+H = C3H5-T 6.98E+44 -9.70 14032.0 0.0 0.0 0.0 -PLOG / 1 9.46E+42 -9.43 11190.0 / -PLOG / 2 8.47E+43 -9.59 12462.0 / -PLOG / 5 6.98E+44 -9.70 14032.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////////// PRESSURE DEPENDANCE //////////////////////////////////// -//C3H4-A+H = C3H5-A 1.52E+59 -13.54 26949.0 //99DAV/LAW RRKM 1 ATM -//C3H4-A+H = C3H5-A 3.78E+57 -12.98 26785.0 //99DAV/LAW RRKM 2 ATM -//C3H4-A+H = C3H5-A 7.34E+54 -12.09 26187.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C3H4-A+H = C3H5-A 7.34E+54 -12.09 26187.0 0.0 0.0 0.0 -PLOG / 1 1.52E+59 -13.54 26949.0 / -PLOG / 2 3.78E+57 -12.98 26785.0 / -PLOG / 5 7.34E+54 -12.09 26187.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C3H4-P = CC3H4 1.73E+12 0.31 60015.0 //99DAV/LAW RRKM KINF -//C3H4-P = CC3H4 2.84E+45 -10.45 69284.0 //99DAV/LAW RRKM 0.4 ATM -//C3H4-P = CC3H4 1.20E+44 -9.92 69250.0 //99DAV/LAW RRKM 1 ATM -//C3H4-P = CC3H4 5.47E+42 -9.43 69089.0 //99DAV/LAW RRKM 2 ATM -//C3H4-P = CC3H4 3.92E+40 -8.69 68706.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported KINF rate. -// 1000 ATM rate is also the reported KINF rate. -C3H4-P = CC3H4 1.73E+12 0.31 60015.0 0.0 0.0 0.0 -PLOG / 0.4 2.84E+45 -10.45 69284.0 / -PLOG / 1 1.20E+44 -9.92 69250.0 / -PLOG / 2 5.47E+42 -9.43 69089.0 / -PLOG / 5 3.92E+40 -8.69 68706.0 / -PLOG / 1000 1.73E+12 0.31 60015.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C3H4-P = C3H4-A 5.81E+62 -14.63 91211.0 //99DAV/LAW RRKM 0.4 ATM -//C3H4-P = C3H4-A 5.15E+60 -13.93 91117.0 //99DAV/LAW RRKM 1 ATM -//C3H4-P = C3H4-A 7.64E+59 -13.59 91817.0 //99DAV/LAW RRKM 2 ATM -//C3H4-P = C3H4-A 3.12E+58 -13.07 92680.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C3H4-P = C3H4-A 3.12E+58 -13.07 92680.0 0.0 0.0 0.0 -PLOG / 0.4 5.81E+62 -14.63 91211.0 / -PLOG / 1 5.15E+60 -13.93 91117.0 / -PLOG / 2 7.64E+59 -13.59 91817.0 / -PLOG / 5 3.12E+58 -13.07 92680.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C3H4-P+H = C3H4-A+H 6.27E+17 -0.91 10079.0 //99DAV/LAW RRKM 1 ATM -//C3H4-P+H = C3H4-A+H 1.50E+18 -1.00 10756.0 //99DAV/LAW RRKM 2 ATM -//C3H4-P+H = C3H4-A+H 1.93E+18 -1.01 11523.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C3H4-P+H = C3H4-A+H 1.93E+18 -1.01 11523.0 0.0 0.0 0.0 -PLOG / 1 6.27E+17 -0.91 10079.0 / -PLOG / 2 1.50E+18 -1.00 10756.0 / -PLOG / 5 1.93E+18 -1.01 11523.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C3H4-P+H = C3H5-T 1.66E+47 -10.58 13690.0 //99DAV/LAW RRKM 1 ATM -//C3H4-P+H = C3H5-T 5.04E+47 -10.61 14707.0 //99DAV/LAW RRKM 2 ATM -//C3H4-P+H = C3H5-T 9.62E+47 -10.55 15910.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C3H4-P+H = C3H5-T 9.62E+47 -10.55 15910.0 0.0 0.0 0.0 -PLOG / 1 1.66E+47 -10.58 13690.0 / -PLOG / 2 5.04E+47 -10.61 14707.0 / -PLOG / 5 9.62E+47 -10.55 15910.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C3H4-P+H = C3H5-S 5.50E+28 -5.74 4300.0 //99DAV/LAW RRKM 1 ATM -//C3H4-P+H = C3H5-S 1.00E+34 -6.88 8900.0 //99DAV/LAW RRKM 10 ATM -//C3H4-P+H = C3H5-S 9.70E+37 -7.63 13800.0 //99DAV/LAW RRKM 100 ATM -// High-P limit is the reported 100 atm rate. -C3H4-P+H = C3H5-S 9.70E+37 -7.63 13800.0 0.0 0.0 0.0 -PLOG / 1 5.50E+28 -5.74 4300.0 / -PLOG / 10 1.00E+34 -6.88 8900.0 / -PLOG / 100 9.70E+37 -7.63 13800.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C3H4-P+H = C3H5-A 4.91E+60 -14.37 31644.0 //99DAV/LAW RRKM 1 ATM -//C3H4-P+H = C3H5-A 3.04E+60 -14.19 32642.0 //99DAV/LAW RRKM 2 ATM -//C3H4-P+H = C3H5-A 9.02E+59 -13.89 33953.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C3H4-P+H = C3H5-A 9.02E+59 -13.89 33953.0 0.0 0.0 0.0 -PLOG / 1 4.91E+60 -14.37 31644.0 / -PLOG / 2 3.04E+60 -14.19 32642.0 / -PLOG / 5 9.02E+59 -13.89 33953.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C2H2+CH3 = C3H4-P+H 2.56E+09 1.10 13644.0 //99DAV/LAW RRKM 1 ATM -//C2H2+CH3 = C3H4-P+H 2.07E+10 0.85 14415.0 //99DAV/LAW RRKM 2 ATM -//C2H2+CH3 = C3H4-P+H 2.51E+11 0.56 15453.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C2H2+CH3 = C3H4-P+H 2.51E+11 0.56 15453.0 0.0 0.0 0.0 -PLOG / 1 2.56E+09 1.10 13644.0 / -PLOG / 2 2.07E+10 0.85 14415.0 / -PLOG / 5 2.51E+11 0.56 15453.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//CC3H4 = C3H4-A 1.98E+12 0.56 42240.0 //99DAV/LAW RRKM KINF -//CC3H4 = C3H4-A 7.59E+40 -9.07 48831.0 //99DAV/LAW RRKM 0.4 ATM -//CC3H4 = C3H4-A 4.89E+41 -9.17 49594.0 //99DAV/LAW RRKM 1 ATM -//CC3H4 = C3H4-A 8.81E+41 -9.15 50073.0 //99DAV/LAW RRKM 2 ATM -//CC3H4 = C3H4-A 4.33E+41 -8.93 50475.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported KINF rate. -// 1000 ATM rate is also the reported KINF rate. -CC3H4 = C3H4-A 1.98E+12 0.56 42240.0 0.0 0.0 0.0 -PLOG / 0.4 7.59E+40 -9.07 48831.0 / -PLOG / 1 4.89E+41 -9.17 49594.0 / -PLOG / 2 8.81E+41 -9.15 50073.0 / -PLOG / 5 4.33E+41 -8.93 50475.0 / -PLOG / 1000 1.98E+12 0.56 42240.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+CH3(+M) = C4H612(+M) 1.50E+12 0.0 0.0 0.0 0.0 0.0 -LOW /2.60E+57 -11.94 9770.0/ -TROE /0.175 1340.6 60000.0 9769.8/ -H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//OEHLSCHLAEGER ET AL. -//J. PHYS. CHEM. A 2004, 108:4247-4253 -C4H10(+M) = C2H5+C2H5(+M) 2.720E+15 0.00 7.561E+04 0.0 0.0 0.0 -LOW / 4.7200E+18 0.0000E+00 4.9576E+04 / -TROE / 7.2000E-01 1.5000E+03 1.0000E-10 1.0000E+10 / //TROE FALL-OFF REACTION - -//HEALY ET AL C&F, 155: 451 461 (2008) -//OEHLSCHLAEGER ET AL. -//J. PHYS. CHEM. A 2004, 108:4247-4253 -C4H10(+M) = NC3H7+CH3(+M) 4.280E+14 0.00 6.990E+04 0.0 0.0 0.0 -LOW / 5.3400E+17 0.0000E+00 4.2959E+04 / -TROE / 7.2000E-01 1.5000E+03 1.0000E-10 1.0000E+10 / //TROE FALL-OFF REACTION - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C4H6+H = C2H4+C2H3 1.46E+30 -4.34 21647.0 //97WAN/FRE 1 ATM -//C4H6+H = C2H4+C2H3 5.45E+30 -4.51 21877.0 //97WAN/FRE 10 ATM -// High-P limit is the reported 10 atm rate. -C4H6+H = C2H4+C2H3 5.45E+30 -4.51 21877.0 0.0 0.0 0.0 -PLOG / 1 1.46E+30 -4.34 21647.0 / -PLOG / 10 5.45E+30 -4.51 21877.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C4H71-4 = C4H6+H 2.48E+53 -12.30 52000.0 // 1ATM -//C4H71-4 = C4H6+H 1.85E+48 -10.50 51770.0 //97WAN/FRE 10 ATM -// High-P limit is the reported 10 atm rate. -C4H71-4 = C4H6+H 1.85E+48 -10.50 51770.0 0.0 0.0 0.0 -PLOG / 1 2.48E+53 -12.30 52000.0 / -PLOG / 10 1.85E+48 -10.50 51770.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -H2CC+C2H2(+M) = C4H4(+M) 3.500E+05 2.055 -2400.00 0.0 0.0 0.0 -LOW /1.400E+60 -12.599 7417.00 / -TROE /0.980 56.0 580.0 4164.0 / -H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ -C2H2/3.00/ C2H4/3.00/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//OEHLSCHLAEGER ET AL. -//J. PHYS. CHEM. A 2004, 108:4247-4253 -IC4H10(+M) = CH3+IC3H7(+M) 4.830E+16 0.00 7.990E+04 0.0 0.0 0.0 -LOW / 2.4100E+19 0.0000E+00 5.2576E+04 / -TROE / 2.5000E-01 7.5000E+02 1.0000E-10 1.0000E+10 / //TROE FALL-OFF REACTION - -CH3OCHO(+M) = CH3OH+CO(+M) 2.0E+13 0.0 6.0E+04 0.0 0.0 0.0 -LOW/2.4E+59 -1.18E+01 7.14E+04/ -TROE/2.3991E-01 5.551095E+02 8.336781E+09 8.213938E+09/ -H2/3.0/ H2O/6/ O2/1.1/ CO/2.7/ CO2/5.4/ HE/1.2/ -CH3OCHO(+M) = CH4+CO2(+M) 1.5E+12 0.0 5.97E+04 0.0 0.0 0.0 -LOW/5.63E+61 -1.279E+01 7.11E+04/ -TROE/1.794047E-01 3.575408E+02 9.918709E+09 3.289899E+09/ -H2/3.0/ H2O/6/ O2/1.1/ CO/2.7/ CO2/5.4/ HE/1.2/ -CH3OCHO(+M) = CH2O+CH2O(+M) 1.0E+12 0.0 6.05E+04 0.0 0.0 0.0 -LOW/1.55000E+57 -1.15700E+01 7.17000E+04/ -TROE/ 7.807451E-01 6.490132E+09 6.187990E+02 6.710101E+09/ -H2/3.0/ H2O/6/ O2/1.1/ CO/2.7/ CO2/5.4/ HE/1.2/ -CH3OCHO(+M) = CH3 + OCHO(+M) 2.170E+24 -2.401 9.26E+04 0.0 0.0 0.0 -LOW / 5.7100E+47 -8.4300E+00 9.8490E+04 / -TROE / 6.8932E-15 4.7341E+03 9.3302E+09 1.7860E+09 / //TROE FALL-OFF REACTION -H2/3.0/ H2O/6/ O2/1.1/ CO/2.7/ CO2/5.4/ HE/1.2/ -CH3OCHO(+M) = CH3O + HCO(+M) 4.180E+16 0.0 9.70E+04 0.0 0.0 0.0 -//REV 3E13 0.0 0.0 -LOW / 5.2700E+63 -1.2320E+01 1.0918E+05 / -TROE / 8.9375E-01 7.4991E+09 6.4704E+02 6.6980E+08 / //TROE FALL-OFF REACTION -H2/3.0/ H2O/6/ O2/1.1/ CO/2.7/ CO2/5.4/ HE/1.2/ - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-A+CH3(+M) = C4H8-1(+M) 1.00E+14 -0.32 -262.3 0.0 0.0 0.0 -LOW / 3.91E+60 -12.81 6250.0 / -TROE / 0.104 1606.0 60000.0 6118.4 / -H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/ \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_ARHEbathgas/reactions.txt b/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_ARHEbathgas/reactions.txt deleted file mode 100644 index f11aa15544..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_ARHEbathgas/reactions.txt +++ /dev/null @@ -1,5334 +0,0 @@ -// Complete Dooley et al. mechanism for methylformate chemistry -// MRH - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: -// H2/O2 MECHANISM OF LI ET AL. IJCK 36:565 (2004) -// -//********************************************************************************* - -//H2-O2 CHAIN REACTIONS - -// HESSLER, J. PHYS. CHEM. A, 102:4517 (1998) -H+O2 = O+OH 3.547E+15 -0.406 1.6599E+04 0.0 0.0 0.0 - -// SUTHERLAND ET AL., 21ST SYMPOSIUM, P. 929 (1986) -O+H2 = H+OH 0.508E+05 2.67 0.629E+04 0.0 0.0 0.0 - -// MICHAEL AND SUTHERLAND, J. PHYS. CHEM. 92:3853 (1988) -H2+OH = H2O+H 0.216E+09 1.51 0.343E+04 0.0 0.0 0.0 - -// SUTHERLAND ET AL., 23RD SYMPOSIUM, P. 51 (1990) -O+H2O = OH+OH 2.970E+06 2.02 1.340E+04 0.0 0.0 0.0 - - -//H2-O2 DISSOCIATION REACTIONS - -// TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) [MODIFIED] -HO2+H = H2+O2 1.66E+13 0.00 0.823E+03 0.0 0.0 0.0 - -// TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) [MODIFIED] -HO2+H = OH+OH 7.079E+13 0.00 2.950E+02 0.0 0.0 0.0 - -// BAULCH ET AL., J. PHYS. CHEM. REF DATA, 21:411 (1992) -HO2+O = O2+OH 3.250E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// KEYSER, J. PHYS. CHEM. 92:1193 (1988) -HO2+OH = H2O+O2 2.890E+13 0.00 -4.970E+02 0.0 0.0 0.0 - - -//FORMATION AND CONSUMPTION OF H2O2 - -// HIPPLER ET AL., J. CHEM. PHYS. 93:1755 (1990) -HO2+HO2 = H2O2+O2 4.200E+14 0.00 1.1982E+04 0.0 0.0 0.0 - DUPLICATE -HO2+HO2 = H2O2+O2 1.300E+11 0.00 -1.6293E+03 0.0 0.0 0.0 - DUPLICATE - -// TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) -H2O2+H = H2O+OH 2.410E+13 0.00 3.970E+03 0.0 0.0 0.0 -H2O2+H = HO2+H2 4.820E+13 0.00 7.950E+03 0.0 0.0 0.0 -H2O2+O = OH+HO2 9.550E+06 2.00 3.970E+03 0.0 0.0 0.0 - -// HIPPLER AND TROE, J. CHEM. PHYS. LETT. 192:333 (1992) -H2O2+OH = HO2+H2O 1.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - DUPLICATE -H2O2+OH = HO2+H2O 5.800E+14 0.00 9.557E+03 0.0 0.0 0.0 - DUPLICATE - - -//**************************** CO/HCO REACTIONS ********************************* -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CO+O2 = CO2+O 2.530E+12 0.00 4.770E+04 0.0 0.0 0.0 - -// THIS RATE CONSTANT IS MODIFIED PER AN UPDATED VALUE FOR HO2+HO2=H2O2+OH -CO+HO2 = CO2+OH 3.010E+13 0.00 2.300E+04 0.0 0.0 0.0 - -// LEAST SQUARES FIT TO AVAILABLE EXPERIMENTAL RESULTS -CO+OH = CO2+H 2.229E+05 1.89 -1.1587E+03 0.0 0.0 0.0 - -// TIMONEN ET AL., JPC, 92:651 (1988) -HCO+O2 = CO+HO2 7.580E+12 0.00 4.100E+02 0.0 0.0 0.0 - -// TIMONEN ET AL., JPC, 91:692 (1987) -HCO+H = CO+H2 7.230E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -HCO+O = CO+OH 3.020E+13 0.00 0.000E+00 0.0 0.0 0.0 -HCO+OH = CO+H2O 3.020E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// ALL REACTIONS FROM TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -HCO+O = CO2+H 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -HCO+HO2 = CO2+OH+H 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -//HCO+CH3 = CO+CH4 1.200E+14 0.00 0.000E+00 -// ^^ APPROACHES COLLISION LIMIT CHANGED TO THE VALUE OF S.A. MULENKO, //REV ROUM PHYS 1987 -HCO+CH3 = CO+CH4 2.650E+13 0.00 0.000E+00 0.0 0.0 0.0 -HCO+HCO = H2+CO+CO 3.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -// GLARBORG ET AL'S PAPER (C&F, 132:629, 2003) -HCO+HCO = CH2O+CO 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451-461 (2008) - -//DIRECTION CHANGE -//O2CHO = HCO+O2 1.396E+29 -4.55 4.630E+04 -//REV/ 1.200E+11 0.00 -1.100E+03 / -HCO+O2 = O2CHO 1.2E+11 0.0 -1100.0 0.0 0.0 0.0 - -CH2O+O2CHO = HCO+HO2CHO 1.990E+12 0.00 1.166E+04 0.0 0.0 0.0 -//REV/ 3.744E+03 1.95 7.145E+03 / -HO2CHO = OCHO+OH 5.010E+14 0.00 4.015E+04 0.0 0.0 0.0 -//REV/ 2.871E+06 2.09 -7.012E+03 / - - -//***************************** CH2O REACTIONS ********************************** - -// IRDAM ET AL., IJCK 1993, 25, 285 -CH2O + H = HCO + H2 5.740E+07 1.90 2.7486E+03 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH2O + O = HCO + OH 1.810E+13 0.00 3.080E+03 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH2O + OH = HCO + H2O 3.430E+09 1.18 -4.470E+02 0.0 0.0 0.0 - -// HIDAKA ET AL. COMBUST FLAME 92:365 (1993) -CH2O + O2 = HCO + HO2 1.230E+06 3.00 5.200E+04 0.0 0.0 0.0 - -// EITENEER ET AL, JPC A.,1998, 102, 5196 -CH2O + HO2 = HCO + H2O2 4.110E+04 2.50 1.021E+04 0.0 0.0 0.0 - -//FISCHER ET AL. IJCK, 32:713 (2000) -CH2O+CH3 = HCO+CH4 3.636E-06 5.42 9.980E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451-461 (2008) - -//DIRECTION CHANGE -//OCH2O2H = CH2O+HO2 1.278E+18 -1.80 1.046E+04 -//REV/ 1.500E+11 0.00 1.190E+04 / -CH2O+HO2 = OCH2O2H 1.500E+11 0.00 1.190E+04 0.0 0.0 0.0 - -OCH2O2H = HOCH2O2 3.000E+11 0.00 8.600E+03 0.0 0.0 0.0 -//REV/ 4.241E+08 0.95 2.620E+04 / -HOCH2O2+HO2 = HOCH2O2H+O2 3.500E+10 0.00 -3.275E+03 0.0 0.0 0.0 -//REV/ 1.046E+14 -0.84 3.487E+04 / - -//DIRECTION CHANGE -//HOCH2O2H = HOCH2O+OH 1.023E+21 -1.92 4.249E+04 -//REV/ 1.000E+13 0.00 0.000E+00 / -HOCH2O+OH = HOCH2O2H 1.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//****************************** CH4 REACTIONS ********************************** - -// SLAGLE ET AL., JPC, 91:4375 (1987) -CH3+O = CH2O+H 8.430E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH3+O2 = CH3O+O 1.990E+18 -1.57 2.923E+04 0.0 0.0 0.0 - -//WKM NOT SURE WHAT NUMBER I WILL USE YET -// SCIRE ET AL. IJCK, 33:75 (2001) -//CH3+O2 = CH2O+OH 3.740E+11 0.00 1.4640E+04 -//CH3+O2 = CH2O+OH 4.110E+11 0.00 1.384E+04 // HENRY -//WKM -//FROM KLIPPENSTEIN. MAY NOT BE THE FINAL NUMBER BUT SHOULD BE PRETTY CLOSE -CH3+O2 = CH2O+OH 3.510E-01 3.524 7.380E+03 0.0 0.0 0.0 - -// JIM SCIRE (PH.D. THESIS, 2002) ONLY FOR 1000 K -// CH3+HO2 = CH3O+OH 1.480E+13 0.00 0.000E+00 - -//ZHU AND LIN (2001, J.PHYS.CHEM. A 105) -// CH3+HO2 = CH3O+OH 6.14244E+10 0.76 -2.325E+03 //1000-3000K -// CH3+HO2 = CH3O+OH 1.78853E+14 -0.24 -3.6167E+02 //300-1000K - -// LI ET AL. (IJCK, SUBMITTED) BY MODIFING ZHU & LIN'S TO MATCH JIM'S VALUE AT 1000K -CH3+HO2 = CH3O+OH 2.410E+10 0.76 -2.325E+03 0.0 0.0 0.0 - -// SCHATZ ET AL., JPC, 88:221 (1984) -CH4+H = CH3+H2 5.470E+07 1.97 1.121E+04 0.0 0.0 0.0 - -// KLEMM ET AL. 18TH SYMP. (INT) COMBUST. P785 (1981) -CH4+O = CH3+OH 3.150E+12 0.50 1.029E+04 0.0 0.0 0.0 - -// FELDER AND MADRONICH, CST, 50:135 (1986) -CH4+OH = CH3+H2O 5.720E+06 1.96 2.639E+03 0.0 0.0 0.0 - -// SCIRE ET AL. IJCK, 33:75 (2001) -CH3+HO2 = CH4+O2 3.160E+12 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH4+HO2 = CH3+H2O2 1.810E+11 0.00 1.858E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG -CH3+CH3OH = CH4+CH3O 1.440E+01 3.10 6.935E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -//DIVIDED BY 2 -CH3O+CH3 = CH2O+CH4 1.200E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM HOYERMANN ET AL, 18TH SYMPOSIUM -CH3O+H = CH2O+H2 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG, W., HAMPSON, R.F., J. PHYS. CHEM. REF. DATA, 15, 1087 (1986). -CH3O2+CH2O = CH3O2H+HCO 1.990E+12 0.00 1.166E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG, W., HAMPSON, R.F., J. PHYS. CHEM. REF. DATA, 15, 1087 (1986). -CH4+CH3O2 = CH3+CH3O2H 1.810E+11 0.00 1.848E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY, PART 2, -// METHANOL, J. PHYS. CHEM. REF. DATA, VOL. 16 -CH3OH+CH3O2 = CH2OH+CH3O2H 1.810E+12 0.00 1.371E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM KEIFFER, M.; MISCAMPBELL, A.J.; PILLING, M.J. -//J. CHEM. SOC. FARADAY TRANS. 2: 84, 505 (1988) -CH3O2+CH3 = CH3O+CH3O 5.080E+12 0.00 -1.411E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM LIGHTFOOT,P.D.; COX,R.A.; CROWLEY,J.N.; DESTRIAU,M.; -//HAYMAN,G.D.; JENKIN,M.E.; MOORTGAT,G.K.; ZABEL,F. -//ORGANIC PEROXY RADICALS: KINETICS, SPECTROSCOPY AND TROPOSPHERIC CHEMISTRY -//ATMOS. ENVIRON. PART A: 26, 1805-1961 (1992) -CH3O2+HO2 = CH3O2H+O2 2.470E+11 0.00 -1.570E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM LIGHTFOOT ET AL. J. CHEM. SOC. FARA TRANS. 1991, 87(19), 3213--3220. -CH3O2+CH3O2 = CH2O+CH3OH+O2 3.110E+14 -1.61 -1.051E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM LIGHTFOOT ET AL. J. CHEM. SOC. FARA TRANS. 1991, 87(19), 3213--3220. -CH3O2+CH3O2 = O2+CH3O+CH3O 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM ANALOGY TO HCO+C2H3 -//(TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986) -CH3O2+H = CH3O+OH 9.600E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM ANALOGY TO HCO+C2H3 -//(TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986) -CH3O2+O = CH3O+O2 3.600E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM ANALOGY TO HCO+C2H3 -//(TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986) -CH3O2+OH = CH3OH+O2 6.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3O2H = CH3O+OH 6.310E+14 0.00 4.230E+04 0.0 0.0 0.0 - -//******************************* CH2OH REACTIONS ******************************* - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH2OH+H = CH2O+H2 6.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH2OH+H = CH3+OH 9.635E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH2OH+O = CH2O+OH 4.200E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH2OH+OH = CH2O+H2O 2.400E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// GROTHEER ET AL., JPC, 92:4028 (1988) -// USED IN NORTON AND DRYER, IJCK, 22:219 (1990) -// HOWEVER, THEY ONLY USED THE HIGH TEMPERATURE PORTION OF THE FIT. THE HIGH -// TEMPERATURE PORTION ALONE IS 75% OF THE TOTAL AT 700K, 92.8% AT 1000 K -CH2OH+O2 = CH2O+HO2 2.410E+14 0.00 5.017E+03 0.0 0.0 0.0 - DUPLICATE -CH2OH+O2 = CH2O+HO2 1.510E+15 -1.00 0.000E+00 0.0 0.0 0.0 - DUPLICATE - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH2OH+HO2 = CH2O+H2O2 1.200E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// LI ET AL. (IJCK,SUBMITTED) STUDY BY KEEPING THE BRANCHING RATIO IF USING FRIEDRICHS ET AL. (2004) BELOW -CH2OH+HCO = CH3OH+CO 1.000E+13 0.00 0.000E+0 0.0 0.0 0.0 - -// FRIEDRICHS ET AL. (IJCK, 2004, 36, 157) -CH2OH+HCO = CH2O+CH2O 1.500E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//*** ETHYLENE GLYCOL FORMATION - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH2OH+CH2OH = CH3OH+CH2O 3.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH2OH+CH3O = CH3OH+CH2O 2.400E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN ESTIMATE -CH2OH+HO2 = HOCH2O+OH 1.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//****************************** CH3O REACTIONS ********************************* - -// WANTUCK ET AL., JPC, 91:4653 (1987) -CH3O+H = CH3+OH 3.200E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH3O+O = CH2O+OH 6.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH3O+OH = CH2O+H2O 1.800E+13 0.00 0.000E+00 0.0 0.0 0.0 - - -// WANTUCK ET AL., JPC, 91:4653 (1987) -CH3O+O2 = CH2O+HO2 9.033E+13 0.00 1.198E+04 0.0 0.0 0.0 - DUPLICATE -CH3O+O2 = CH2O+HO2 2.200E+10 0.00 1.748E+03 0.0 0.0 0.0 - DUPLICATE - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH3O+HO2 = CH2O+H2O2 3.000E+11 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH3O+CO = CH3+CO2 1.600E+13 0.00 1.180E+04 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH3O+HCO = CH3OH+CO 9.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH3O+CH3O = CH3OH+CH2O 6.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - - -//****************************** CH3OH REACTIONS ******************************** - -// WARNATZ, IN GARDINER, JR. COMBUSTION CHEMISTRY (1984) -CH3OH+H = CH2OH+H2 3.200E+13 0.00 6.095E+03 0.0 0.0 0.0 -CH3OH+H = CH3O+H2 8.000E+12 0.00 6.095E+03 0.0 0.0 0.0 - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH3OH+O = CH2OH+OH 3.880E+05 2.50 3.080E+03 0.0 0.0 0.0 - -// BOTT AND COHEN, IJCK, 23:1075 (1991) {356} -CH3OH+OH = CH3O+H2O 1.000E+06 2.10 4.967E+02 0.0 0.0 0.0 -CH3OH+OH = CH2OH+H2O 7.100E+06 1.80 -5.960E+02 0.0 0.0 0.0 - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH3OH+O2 = CH2OH+HO2 2.050E+13 0.00 4.490E+04 0.0 0.0 0.0 - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH3OH+HCO = CH2OH+CH2O 9.635E+03 2.90 1.311E+04 0.0 0.0 0.0 - -// CATHONNET ET AL., J. CHIM. PHYS., 79:475 (1982) -CH3OH+HO2 = CH2OH+H2O2 3.980E+13 0.00 1.940E+04 0.0 0.0 0.0 -// -//CH3OH+HO2 = CH2OH+H2O2 7.000E+13 0.00 1.940E+04 // 10 ATM -// -//CH3OH+HO2 = CH2OH+H2O2 5.500E+08 0.00 0.000E+00 // 5 ATM -// FIG 4.2 (949K) -//CH3OH+HO2 = CH2OH+H2O2 3.000E+09 0.00 0.000E+00 -// FIG 4.1 (1043K) -//CH3OH+HO2 = CH2OH+H2O2 5.500E+08 0.00 0.000E+00 -// FIG 4.3 (907K) -//CH3OH+HO2 = CH2OH+H2O2 9.000E+08 0.00 0.000E+00 -// FIG 4.4 (911K) -//CH3OH+HO2 = CH2OH+H2O2 1.000E+09 0.00 0.000E+00 -// FIG 4.5 (860K) & FIG 4.6 (858K) & FIG 4.7(857K) -//CH3OH+HO2 = CH2OH+H2O2 5.500E+08 0.00 0.000E+00 -// FIG 4.8 (809K) & FIG4.9 (810K) -//CH3OH+HO2 = CH2OH+H2O2 4.500E+08 0.00 0.000E+00 -// FIG 4.10 (811K) -//CH3OH+HO2 = CH2OH+H2O2 3.500E+08 0.00 0.000E+00 -// FIG 4.11 (783K) & FIG 4.12 -//CH3OH+HO2 = CH2OH+H2O2 2.500E+08 0.00 0.000E+00 -// FIG 4.13 -//CH3OH+HO2 = CH2OH+H2O2 3.000E+08 0.00 0.000E+00 -// %COMBINED (PRESENT FIT) -//CH3OH+HO2 = CH2OH+H2O2 1.550E+13 0.00 1.695E+04 -// PW -//CH3OH+HO2 = CH2OH+H2O2 7.760E+12 0.00 1.582E+04 - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH3OH+CH3 = CH2OH+CH4 3.190E+01 3.17 7.172E+03 0.0 0.0 0.0 - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH3O+CH3OH = CH3OH+CH2OH 3.000E+11 0.00 4.060E+03 0.0 0.0 0.0 - -// GRI-1.2 -CH3+CH3 = H+C2H5 4.990E+12 0.10 1.060E+04 0.0 0.0 0.0 -CH4+CH2 = CH3+CH3 2.460E+06 2.00 8.270E+03 0.0 0.0 0.0 -CH4+CH2(S) = CH3+CH3 1.600E+13 0.00 -5.700E+02 0.0 0.0 0.0 -CH3+OH = CH2+H2O 5.600E+07 1.60 5.420E+03 0.0 0.0 0.0 -CH3+OH = CH2(S)+H2O 2.501E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3+CH2 = C2H4+H 4.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3+CH2(S) = C2H4+H 1.200E+13 0.00 -5.700E+02 0.0 0.0 0.0 -CH3O+H = CH2(S)+H2O 1.600E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//*************************** CH/CH2/CH2(S) REACTIONS ******************************* - -CH2+O = HCO+H 8.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2+OH = CH2O+H 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2+H2 = H+CH3 5.000E+05 2.00 7.230E+03 0.0 0.0 0.0 -CH2+O2 = HCO+OH 1.320E+13 0.00 1.500E+03 0.0 0.0 0.0 -CH2+HO2 = CH2O+OH 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2+CH2 = C2H2+H2 3.200E+13 0.00 0.000E+00 0.0 0.0 0.0 -// -// REACTIONS OF CH2(S) -// -CH2(S)+H2O = CH2+H2O 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+CO = CH2+CO 9.000E+12 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+CO2 = CH2+CO2 7.000E+12 0.00 0.000E+00 0.0 0.0 0.0 -//CH2(S)+H = CH+H2 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+O = CO+H2 1.500E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+O = HCO+H 1.500E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+OH = CH2O+H 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+H2 = CH3+H 7.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+O2 = H+OH+CO 2.800E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+O2 = CO+H2O 1.200E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+CO2 = CH2O+CO 1.400E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//WKM -//HEALY ET AL C&F, 155: 451 461 (2008) -//////////////////////////////////// CH REACTIONS////////////////////////////////////////////////////////// - - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -CH2(S)+H <=> CH+H2 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -CH2+H <=> CH+H2 1.000E+18 -1.56 0.000E+00 0.0 0.0 0.0 -DUP - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -CH2+OH <=> CH+H2O 1.130E+07 2.00 3.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -CH+O2 <=> HCO+O 3.300E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -CH+H <=> C+H2 5.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -CH+O <=> CO+H 5.700E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -CH+OH <=> HCO+H 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -CH2+H <=> CH+H2 2.700E+11 0.67 2.570E+04 0.0 0.0 0.0 -DUP - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -CH+H2O <=> H+CH2O 1.713E+13 0.00 -7.550E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -CH+CO2 <=> HCO+CO 1.700E+12 0.00 6.850E+02 0.0 0.0 0.0 - -////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////// -//WKM - -//////////////////////////////// HCOOH REACTIONS //////////////////////////////////////////////////////// - -//FORMIC ACID REACTIONS, FROM LI DME - -HOCH2O = HCOOH+H 1.000E+14 0.00 1.490E+04 0.0 0.0 0.0 -CH2O+OH = HOCH2O 4.500E+15 -1.11 0.000E+00 0.0 0.0 0.0 -HCOOH+M = CO+H2O+M 2.300E+13 0.00 5.000E+04 0.0 0.0 0.0 -HCOOH+M = CO2+H2+M 1.500E+16 0.00 5.700E+04 0.0 0.0 0.0 -HCOOH = HCO+OH 4.593E+18 -0.46 1.083E+05 0.0 0.0 0.0 -HCOOH+OH = H2O+CO2+H 2.620E+06 2.06 9.160E+02 0.0 0.0 0.0 -HCOOH+OH = H2O+CO+OH 1.850E+07 1.51 -9.620E+02 0.0 0.0 0.0 -HCOOH+H = H2+CO2+H 4.240E+06 2.10 4.868E+03 0.0 0.0 0.0 -HCOOH+H = H2+CO+OH 6.030E+13 -0.35 2.988E+03 0.0 0.0 0.0 -HCOOH+CH3 = CH4+CO+OH 3.900E-07 5.80 2.200E+03 0.0 0.0 0.0 -HCOOH+HO2 = H2O2+CO+OH 1.000E+12 0.00 1.192E+04 0.0 0.0 0.0 -HCOOH+O = CO+OH+OH 1.770E+18 -1.90 2.975E+03 0.0 0.0 0.0 -//////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////// - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H6+H = C2H5+H2 1.150E+08 1.90 7.530E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM "REACTION RATES OF ATOMIC OXYGEN WITH STRAIGHT CHAIN ALKANES -//AND FLUOROMETHANES AT HIGH TEMPERAURES" -//CHEM. PHYS. LETT. 204, 241-247 (1993) -C2H6+O = C2H5+OH 3.550E+06 2.40 5.830E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -C2H6+OH = C2H5+H2O 1.480E+07 1.90 9.500E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH,D.L.; COBOS,C.J.; COX,R.A.; ESSER,C.; FRANK,P.; JUST,TH.; KERR,J.A. -//PILLING,M.J.; TROE,J.; WALKER,R.W.; WARNATZ,J. -//EVALUATED KINETIC DATA FOR COMBUSTION MODELLING -//J. PHYS. CHEM. REF. DATA 21, 411-429 (1992) -C2H6+O2 = C2H5+HO2 6.030E+13 0.00 5.187E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992. -C2H6+CH3 = C2H5+CH4 1.510E-07 6.00 6.047E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM J. AGUILERA-IPARRAGUIRRE, H.J. CURRAN, W. KLOPPER, J.M. SIMMIE -//JOURNAL OF PHYSICAL CHEMISTRY A 2008, VOL 112(30) 7047 7054. -C2H6+HO2 = C2H5+H2O2 3.460E+01 3.61 1.692E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CARSTENSEN AND DEAN 30TH SYMPOSIUM -C2H6+CH3O2 = C2H5+CH3O2H 1.940E+01 3.64 1.710E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -C2H6+CH3O = C2H5+CH3OH 2.410E+11 0.00 7.090E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -C2H6+CH = C2H5+CH2 1.100E+14 0.00 -2.600E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM MILLER, J.A. AND BOWMAN, C.T., MECHANISM AND MODELING -//OF NITROGEN CHEMISTRY IN COMBUSTION, WSS/CI, FALL 1988. -CH2(S)+C2H6 = CH3+C2H5 1.200E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -H2+CH3O2 = H+CH3O2H 1.500E+14 0.00 2.603E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -H2+C2H5O2 = H+C2H5O2H 1.500E+14 0.00 2.603E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG, W.; HAMPSON, R.F. -//CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. -//PART I. METHANE AND RELATED COMPOUNDS -//J. PHYS. CHEM. REF. DATA 15, 1087 (1986) -C2H4+C2H4 = C2H5+C2H3 4.820E+14 0.00 7.153E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM ZHU, R.S.; XU, Z.F.; LIN, M.C -//J. CHEM. PHYS. 120:6566:6573 (2004) -CH3+C2H5 = CH4+C2H4 1.180E+04 2.45 -2.921E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H5+H = C2H4+H2 2.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H5+O = CH3CHO+H 1.100E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BASED ON CH3+HO2 PRODUCTS -C2H5+HO2 = C2H5O+OH 1.100E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BASED ON CH3+HO2 PRODUCTS -CH3O2+C2H5 = CH3O+C2H5O 8.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM HARTMANN ET AL. 1990 -C2H5O+O2 = CH3CHO+HO2 4.280E+10 0.00 1.097E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN ESTIMATE -CH3+CH2O = C2H5O 3.000E+11 0.00 6.336E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN ESTIMATE -CH3CHO+H = C2H5O 8.000E+12 0.00 6.400E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H5+O2 = C2H5O2 2.876E+56 -13.82 1.462E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -C2H5O2+CH2O = C2H5O2H+HCO 1.990E+12 0.00 1.166E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BASED ON CH4+CH3O2 -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -CH4+C2H5O2 = CH3+C2H5O2H 1.810E+11 0.00 1.848E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -// TSANG, JPC REF. DATA, 16:471 (1987) -CH3OH+C2H5O2 = CH2OH+C2H5O2H 1.810E+12 0.00 1.371E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -// TSANG, JPC REF. DATA, 16:471 (1987) -C2H5O2+HO2 = C2H5O2H+O2 1.750E+10 0.00 -3.275E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CARSTENSEN AND DEAN 30TH SYMPOSIUM -C2H6+C2H5O2 = C2H5+C2H5O2H 8.600E+00 3.76 1.720E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CARSTENSEN AND DEAN 30TH SYMPOSIUM -C2H5O2H = C2H5O+OH 6.310E+14 0.00 4.230E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H5+O2 = C2H4O2H 1.814E+45 -11.50 1.460E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H5+O2 = C2H4+HO2 7.561E+14 -1.01 4.749E+03 0.0 0.0 0.0 -DUP - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H5+O2 = C2H4+HO2 4.000E-01 3.88 1.362E+04 0.0 0.0 0.0 -DUP - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H5+O2 = C2H4O1-2+OH 1.626E+11 -0.31 6.150E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H5+O2 = CH3CHO+OH 8.265E+02 2.41 5.285E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H4O2H = C2H5O2 1.203E+36 -8.13 2.702E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H5O2 = CH3CHO+OH 2.520E+41 -10.20 4.371E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H5O2 = C2H4+HO2 1.815E+38 -8.45 3.789E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H5O2 = C2H4O1-2+OH 4.000E+43 -10.46 4.558E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H4O2H = C2H4O1-2+OH 8.848E+30 -6.08 2.066E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H4O2H = C2H4+HO2 3.980E+34 -7.25 2.325E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H4O2H = CH3CHO+OH 1.188E+34 -9.02 2.921E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM LIFSHITZ ET AL. 1983 -C2H4O1-2 = CH3+HCO 3.630E+13 0.00 5.720E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -C2H4O1-2 = CH3CHO 7.407E+12 0.00 5.380E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BALDWIN ET AL. 1984. -C2H4O1-2+OH = C2H3O1-2+H2O 1.780E+13 0.00 3.610E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BALDWIN ET AL. 1984. -C2H4O1-2+H = C2H3O1-2+H2 8.000E+13 0.00 9.680E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN, ANALOGY TO ETHENE -C2H4O1-2+HO2 = C2H3O1-2+H2O2 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN, ANALOGY TO ETHENE -C2H4O1-2+CH3O2 = C2H3O1-2+CH3O2H 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN, ANALOGY TO ETHENE -C2H4O1-2+C2H5O2 = C2H3O1-2+C2H5O2H 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BALDWIN, KEEN AND WALKER, -//J. CHEM. SOC. FARADAY TRANS. 1, 80, 435 (1984). -C2H4O1-2+CH3 = C2H3O1-2+CH4 1.070E+12 0.00 1.183E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H4O1-2+CH3O = C2H3O1-2+CH3OH 1.200E+11 0.00 6.750E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BALDWIN, KEEN AND WALKER, -//J. CHEM. SOC. FARADAY TRANS. 1, 80, 435 (1984). -C2H3O1-2 = CH3CO 8.500E+14 0.00 1.400E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BALDWIN, KEEN AND WALKER, -//J. CHEM. SOC. FARADAY TRANS. 1, 80, 435 (1984). -C2H3O1-2 = CH2CHO 1.000E+14 0.00 1.400E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN ESTIMATE -CH3+HCO = CH3CHO 1.750E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM WHYSTOCK ET AL. 1976. -CH3CHO+H = CH3CO+H2 1.110E+13 0.00 3.110E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -CH3CHO+O = CH3CO+OH 5.940E+12 0.00 1.868E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TAYLOR ET AL. 1996. -CH3CHO+OH = CH3CO+H2O 2.000E+06 1.80 1.300E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992. -CH3CHO+O2 = CH3CO+HO2 3.010E+13 0.00 3.915E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -CH3CHO+CH3 = CH3CO+CH4 1.760E+03 2.79 4.950E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992. -CH3CHO+HO2 = CH3CO+H2O2 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992. -CH3O2+CH3CHO = CH3O2H+CH3CO 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992. -//ANALOGY TO CH3CHO+CH3O2 -CH3CHO+CH3CO3 = CH3CO+CH3CO3H 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//WKM -//REACTION AND RATE TAKEN FROM NUIG BUT NAMING SCHEME CHANGED -//HOCHO CHANGED TO HCOOH - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TAYLOR ET AL. 1996. -CH3CHO+OH = CH3+HCOOH 3.000E+15 -1.08 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TAYLOR ET AL. 1996. -CH3CHO+OH = CH2CHO+H2O 1.720E+05 2.40 8.150E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -CH3CO+H = CH2CO+H2 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -CH3CO+O = CH2CO+OH 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -CH3CO+CH3 = CH2CO+CH4 5.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3CO+O2 = CH3CO3 1.200E+11 0.00 -1.100E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3CO3+HO2 = CH3CO3H+O2 1.750E+10 0.00 -3.275E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -H2O2+CH3CO3 = HO2+CH3CO3H 2.410E+12 0.00 9.936E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH4+CH3CO3 = CH3+CH3CO3H 1.810E+11 0.00 1.848E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -//ANALOGY WITH CH3O2 + CH2O -CH2O+CH3CO3 = HCO+CH3CO3H 1.990E+12 0.00 1.166E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN -//ANALOGY TO C2H6+HO2 -C2H6+CH3CO3 = C2H5+CH3CO3H 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 -//REV/ 1.450E+12 0.04 9.460E+03 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SAHETCHIAN ET AL. 1992 -CH3CO3H = CH3CO2+OH 5.010E+14 0.00 4.015E+04 0.0 0.0 0.0 -//REV/ 3.618E+07 1.76 1.338E+03 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2CO + H = CH2CHO 5.000E+13 0.00 1.230E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992 -CH2CHO+O2 = CH2O+CO+OH 2.000E+13 0.00 4.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM WARNATZ, J., UNPUBLISHED -CH2CO+H = CH3+CO 1.100E+13 0.00 3.400E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2CO+H = HCCO+H2 2.000E+14 0.00 8.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2CO+O = CH2+CO2 1.750E+12 0.00 1.350E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2CO+O = HCCO+OH 1.000E+13 0.00 8.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2CO+OH = HCCO+H2O 1.000E+13 0.00 2.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2CO+OH = CH2OH+CO 2.000E+12 0.00 -1.010E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2(S)+CH2CO = C2H4+CO 1.600E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -HCCO+OH = H2+CO+CO 1.000E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -H+HCCO = CH2(S)+CO 1.100E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -HCCO+O = H+CO+CO 8.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM HIDAKA ?? -HCCO+O2 = OH+CO+CO 4.200E+10 0.00 8.500E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SMITH ET AL., GRI MECH 2.11 -CH+CH2O = H+CH2CO 9.460E+13 0.00 -5.150E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SMITH ET AL., GRI MECH 2.11 -CH+HCCO = CO+C2H2 5.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM KNYAZEV,V.D.; BENCSURA,A.; STOLIAROV,S.I.; SLAGLE,I.R. -//J. PHYS. CHEM. 100, 11346-1135 (1996) -C2H4+H = C2H3+H2 5.070E+07 1.93 1.295E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH ET AL. 2005 -C2H4+O = CH3+HCO 8.564E+06 1.88 1.830E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH ET AL. 2005 -C2H4+O = CH2CHO+H 4.986E+06 1.88 1.830E+02 0.0 0.0 0.0 - -//FROM LI DME PAPER -C2H4+OH = C2H3+H2O 1.800E+06 2.00 2.500E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG -C2H4+CH3 = C2H3+CH4 6.620E+00 3.70 9.500E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H4+O2 = C2H3+HO2 4.000E+13 0.00 5.820E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -C2H4+CH3O = C2H3+CH3OH 1.200E+11 0.00 6.750E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992 -//ANALOGY TO C2H4+HO2 -C2H4+CH3O2 = C2H3+CH3O2H 2.230E+12 0.00 1.719E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992 -//ANALOGY TO C2H4+HO2 -C2H4+C2H5O2 = C2H3+C2H5O2H 2.230E+12 0.00 1.719E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H4+CH3CO3 = C2H3+CH3CO3H 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H4+CH3O2 = C2H4O1-2+CH3O 2.820E+12 0.00 1.711E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H4+C2H5O2 = C2H4O1-2+C2H5O 2.820E+12 0.00 1.711E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H4+HO2 = C2H4O1-2+OH 2.230E+12 0.00 1.719E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BUTLER, FLEMING, GOSS, LIN, ACS SYMP. SER. 134 (1980) -CH+CH4 = C2H4+H 6.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//WKM -//FROM GRI MECH 3.0 -C2H3+O2 = HCO+CH2O 4.580E+16 -1.39 1.015E+03 0.0 0.0 0.0 - -//WKM -//FROM GRI MECH 3.0 -C2H3+O2 = HO2+C2H2 1.337E+06 1.61 -3.840E+02 0.0 0.0 0.0 - -//WKM -// WANG ET AL. EASTERN ESTATES MEETING COMBUSTION INSTITUTE, PAPER 129 (1999) -C2H3+O2 = O+CH2CHO 1.000E+11 0.29 1.100E+01 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3+C2H3 = CH4+C2H2 3.920E+11 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H3+H = C2H2+H2 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H3+OH = C2H2+H2O 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H2+O2 = HCCO+OH 2.000E+08 1.50 3.010E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -O+C2H2 = C2H+OH 4.600E+19 -1.40 2.895E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H2+O = CH2+CO 6.940E+06 2.00 1.900E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H2+O = HCCO+H 1.350E+07 2.00 1.900E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H2+OH = C2H+H2O 3.370E+07 2.00 1.400E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H2+OH = CH2CO+H 3.236E+13 0.00 1.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H2+OH = CH3+CO 4.830E-04 4.00 -2.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -OH+C2H2 = H+HCCOH 5.040E+05 2.30 1.350E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SMITH ET AL., GRI MECH 2.11 -H+HCCOH = H+CH2CO 1.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+O2 = PC2H4OH+HO2 2.000E+13 0.00 5.280E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+O2 = SC2H4OH+HO2 1.500E+13 0.00 5.015E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH+OH = PC2H4OH+H2O 1.740E+11 0.27 6.000E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH+OH = SC2H4OH+H2O 4.640E+11 0.15 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH+OH = C2H5O+H2O 7.460E+11 0.30 1.634E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH+H = PC2H4OH+H2 1.230E+07 1.80 5.098E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH+H = SC2H4OH+H2 2.580E+07 1.65 2.827E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH+H = C2H5O+H2 1.500E+07 1.60 3.038E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH+HO2 = PC2H4OH+H2O2 1.230E+04 2.55 1.575E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH+HO2 = SC2H4OH+H2O2 8.200E+03 2.55 1.075E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH+HO2 = C2H5O+H2O2 2.500E+12 0.00 2.400E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -//ANOLOGY TO C2H5OH+HO2 -C2H5OH+CH3O2 = PC2H4OH+CH3O2H 1.230E+04 2.55 1.575E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -//ANOLOGY TO C2H5OH+HO2 -C2H5OH+CH3O2 = SC2H4OH+CH3O2H 8.200E+03 2.55 1.075E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -//ANOLOGY TO C2H5OH+HO2 -C2H5OH+CH3O2 = C2H5O+CH3O2H 2.500E+12 0.00 2.400E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+O = PC2H4OH+OH 9.410E+07 1.70 5.459E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+O = SC2H4OH+OH 1.880E+07 1.85 1.824E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+O = C2H5O+OH 1.580E+07 2.00 4.448E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+CH3 = PC2H4OH+CH4 1.330E+02 3.18 9.362E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+CH3 = SC2H4OH+CH4 4.440E+02 2.90 7.690E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+CH3 = C2H5O+CH4 1.340E+02 2.92 7.452E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN ESTIMATE -//1/2 OF C4H10+C2H5 -C2H5OH+C2H5 = PC2H4OH+C2H6 5.000E+10 0.00 1.340E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN ESTIMATE -C2H5OH+C2H5 = SC2H4OH+C2H6 5.000E+10 0.00 1.040E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -C2H4+OH = PC2H4OH 4.170E+20 -2.84 1.240E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -SC2H4OH+M = CH3CHO+H+M 1.000E+14 0.00 2.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -//BASED ON C3H6OH+O2 REACTION -O2C2H4OH = PC2H4OH+O2 3.900E+16 -1.00 3.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -O2C2H4OH = OH+CH2O+CH2O 3.125E+09 0.00 1.890E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -//ANALOGY TO CH2OH+O2 -SC2H4OH+O2 = CH3CHO+HO2 3.810E+06 2.00 1.641E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH3+OH = CH3COCH2+H2O 1.250E+05 2.48 4.450E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH3COCH3+H = CH3COCH2+H2 9.800E+05 2.43 5.160E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -CH3COCH3+O = CH3COCH2+OH 5.130E+11 0.21 4.890E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH3+CH3 = CH3COCH2+CH4 3.960E+11 0.00 9.784E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH3COCH3+CH3O = CH3COCH2+CH3OH 4.340E+11 0.00 6.460E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH3+O2 = CH3COCH2+HO2 6.030E+13 0.00 4.850E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO ETHANE -CH3COCH3+HO2 = CH3COCH2+H2O2 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 -//REV/ 6.397E+14 -0.75 1.383E+04 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO ETHANE -CH3COCH3+CH3O2 = CH3COCH2+CH3O2H 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO PROPANE -CH3COCH2 = CH2CO+CH3 1.000E+14 0.00 3.100E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH2+O2 = CH3COCH2O2 1.200E+11 0.00 -1.100E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -CH3COCH3+CH3COCH2O2 = CH3COCH2+CH3COCH2O2H 1.000E+11 0.00 5.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -CH2O+CH3COCH2O2 = HCO+CH3COCH2O2H 1.288E+11 0.00 9.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -HO2+CH3COCH2O2 = CH3COCH2O2H+O2 1.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH2O2H = CH3COCH2O+OH 1.000E+16 0.00 4.300E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3CO+CH2O = CH3COCH2O 1.000E+11 0.00 1.190E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H3+HCO = C2H3CHO 1.810E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H3CHO+H = C2H3CO+H2 1.340E+13 0.00 3.300E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H3CHO+O = C2H3CO+OH 5.940E+12 0.00 1.868E+03 0.0 0.0 0.0 - -//MARINOV ET AL. COMBUST SCI TECH 116:211 1996 -C2H3CHO+H = C2H4+HCO 2.0E+13 0.0 3500.0 0.0 0.0 0.0 - -//MARINOV ET AL. COMBUST SCI TECH 116:211 1996 -C2H3CHO+O = CH2CO+HCO+H 5.0E+7 1.76 76.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TAYLOR ET AL. 1996. -//ANALOGY WITH CH3CHO+OH -C2H3CHO+OH = C2H3CO+H2O 9.240E+06 1.50 -9.620E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H3CHO+O2 = C2H3CO+HO2 1.005E+13 0.00 4.070E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BASED ON CH3CHO+HO2 -C2H3CHO+HO2 = C2H3CO+H2O2 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BASED ON CH3CHO+CH3 -C2H3CHO+CH3 = C2H3CO+CH4 2.608E+06 1.78 5.911E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE. -C2H3CHO+C2H3 = C2H3CO+C2H4 1.740E+12 0.00 8.440E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH CH3CHO + CH3O -C2H3CHO+CH3O = C2H3CO+CH3OH 1.000E+12 0.00 3.300E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BASED ON CH3CHO + HO2 -C2H3CHO+CH3O2 = C2H3CO+CH3O2H 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -C2H3+CO = C2H3CO 1.510E+11 0.00 4.810E+03 0.0 0.0 0.0 - -//ALZUETA & GLARBORG IJCK 32: 498-522, 2000. -//PRIVATE COMMUNICATION WITH BOZZELLI (ZHONG'S THESIS) -C2H3CO+O2 = CH2CHO+CO2 5.4E20 -2.72 7000.0 0.0 0.0 0.0 - -//MARINOV ET AL. COMBUST SCI TECH 116:211 1996 -C2H3CO+O = C2H3+CO2 1.0E14 0.0 0.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5+HCO = C2H5CHO 1.810E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH CH3CHO + H -C2H5CHO+H = C2H5CO+H2 4.000E+13 0.00 4.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH CH3CHO + O -C2H5CHO+O = C2H5CO+OH 5.000E+12 0.00 1.790E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H5CHO+OH = C2H5CO+H2O 2.690E+10 0.76 -3.400E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -C2H5CHO+CH3 = C2H5CO+CH4 2.608E+06 1.78 5.911E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH CH3CHO + HO2 -C2H5CHO+HO2 = C2H5CO+H2O2 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH CH3CHO + CH3O -C2H5CHO+CH3O = C2H5CO+CH3OH 1.000E+12 0.00 3.300E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH CH3CHO + HO2 -C2H5CHO+CH3O2 = C2H5CO+CH3O2H 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ACETALDEHYDE ANALOG -C2H5CHO+C2H5 = C2H5CO+C2H6 1.000E+12 0.00 8.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ACETALDEHYDE ANALOG -C2H5CHO+C2H5O = C2H5CO+C2H5OH 6.026E+11 0.00 3.300E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BASED ON CH3CHO + HO2 -C2H5CHO+C2H5O2 = C2H5CO+C2H5O2H 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H5CHO+O2 = C2H5CO+HO2 1.005E+13 0.00 4.070E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BASED ON CH3CHO + HO2 -C2H5CHO+CH3CO3 = C2H5CO+CH3CO3H 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -C2H5CHO+C2H3 = C2H5CO+C2H4 1.700E+12 0.00 8.440E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5+CO = C2H5CO 1.510E+11 0.00 4.810E+03 0.0 0.0 0.0 - -//NEW DME RATE CONSTANTS FROM CURRAN. -//PRIVATE COMMUNICATION -CH3OCH3+OH <=> CH3OCH2+H2O 9.350E+05 2.290 -7.810E+02 0.0 0.0 0.0 - -//NEW DME RATE CONSTANTS FROM CURRAN. -//PRIVATE COMMUNICATION -CH3OCH3+H <=> CH3OCH2+H2 3.612E+04 2.880 2.996E+03 0.0 0.0 0.0 - -//NEW DME RATE CONSTANTS FROM CURRAN. -//PRIVATE COMMUNICATION -CH3OCH3+O <=> CH3OCH2+OH 7.750E+08 1.360 2.250E+03 0.0 0.0 0.0 - -//NEW DME RATE CONSTANTS FROM CURRAN. -//PRIVATE COMMUNICATION -CH3OCH3+HO2 <=> CH3OCH2+H2O2 1.344E+13 0.000 1.769E+04 0.0 0.0 0.0 - -//NEW DME RATE CONSTANTS FROM CURRAN. -//PRIVATE COMMUNICATION -CH3OCH3+CH3O2 <=> CH3OCH2+CH3O2H 1.344E+13 0.000 1.769E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH3+CH3 = CH3OCH2+CH4 1.445E-06 5.73 5.699E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH3+O2 = CH3OCH2+HO2 4.100E+13 0.00 4.491E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH3OCH3+CH3O = CH3OCH2+CH3OH 6.020E+11 0.00 4.074E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH3+CH3OCH2O2 = CH3OCH2+CH3OCH2O2H 5.000E+12 0.00 1.769E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH3+O2CHO = CH3OCH2+HO2CHO 4.425E+04 2.60 1.391E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH3+OCHO = CH3OCH2+HCOOH 1.000E+13 0.00 1.769E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH2 = CH2O+CH3 1.600E+13 0.00 2.550E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH3OCH2+CH3O = CH3OCH3+CH2O 2.410E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH2+CH2O = CH3OCH3+HCO 5.490E+03 2.80 5.862E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH3OCH2+CH3CHO = CH3OCH3+CH3CO 1.260E+12 0.00 8.499E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH2+O2 = CH3OCH2O2 2.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//1/2 TSANG/HAMPSON CH3O2 + CH2O = CH3O2H + HCO -CH3OCH2O2+CH2O = CH3OCH2O2H+HCO 1.000E+12 0.00 1.166E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH3OCH2O2+CH3CHO = CH3OCH2O2H+CH3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH2O2+CH3OCH2O2 = O2+CH3OCH2O+CH3OCH2O 2.210E+23 -4.50 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH2O+OH = CH3OCH2O2H 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3O+CH2O = CH3OCH2O 1.000E+11 0.00 1.190E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -//CH3OCH2O+O2 = CH3OCHO+HO2 5.000E+10 0.00 5.000E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CH3OCHO+H = CH3OCH2O 1.000E+13 0.00 7.838E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH2O2 = CH2OCH2O2H 6.000E+10 0.00 2.158E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2OCH2O2H = OH+CH2O+CH2O 1.500E+13 0.00 2.076E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2OCH2O2H+O2 = O2CH2OCH2O2H 7.000E+11 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -O2CH2OCH2O2H = HO2CH2OCHO+OH 4.000E+10 0.00 1.858E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HO2CH2OCHO = OCH2OCHO+OH 2.000E+16 0.00 4.050E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CH2O+OCHO = OCH2OCHO 1.250E+11 0.00 1.190E+04 - -//OCH2OCHO = HOCH2OCO 1.000E+11 0.00 1.400E+04 -//REV/ 1.568E+09 0.49 2.067E+04 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HOCH2O+CO = HOCH2OCO 1.500E+11 0.00 4.800E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CH2OH+CO2 = HOCH2OCO 1.500E+11 0.00 3.572E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FISHER, E.M., PITZ, W.J., CURRAN, H.J., -//WESTBROOK, C.K., PROC. COMB. INST., VOL. 28, 2000. -//CH2OCHO+H = CH3OCHO 1.000E+14 0.00 0.000E+00 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FISHER, E.M., PITZ, W.J., CURRAN, H.J., -//WESTBROOK, C.K., PROC. COMB. INST., VOL. 28, 2000. -//CH3OCO+H = CH3OCHO 1.000E+14 0.00 0.000E+00 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -//CH3OCHO(+M) = CH3OH+CO(+M) 1.000E+14 0.00 6.250E+04 -//LOW / 6.1430E+60 -1.2070E+01 7.5400E+04 / -//TROE / 7.8000E-01 8.2800E+09 4.3890E+02 6.7000E+08 / //TROE FALL-OFF REACTION - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FISHER, E.M., PITZ, W.J., CURRAN, H.J., -//WESTBROOK, C.K., PROC. COMB. INST., VOL. 28, 2000. -//CH3O+HCO = CH3OCHO 3.000E+13 0.00 0.000E+00 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -//CH3+OCHO = CH3OCHO 1.000E+13 0.00 0.000E+00 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -//CH3OCHO+O2 = CH3OCO+HO2 1.000E+13 0.00 4.970E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -//CH3OCHO+O2 = CH2OCHO+HO2 2.050E+13 0.00 5.200E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANOLOGY TO PROPANE -//CH3OCHO+OH = CH3OCO+H2O 1.580E+07 1.80 9.340E+02 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANOLOGY TO PROPANE -//CH3OCHO+OH = CH2OCHO+H2O 5.270E+09 0.97 1.586E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE TSANG '88 PRIMARY H -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -//CH3OCHO+HO2 = CH3OCO+H2O2 4.820E+03 2.60 1.391E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE TSANG '88 SECONDARY H -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -//CH3OCHO+HO2 = CH2OCHO+H2O2 2.380E+04 2.55 1.649E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//NIST FIT TO TSANG 88 -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -//CH3OCHO+O = CH3OCO+OH 2.755E+05 2.45 2.830E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//NIST FIT TO COHEN/WESTBERG 86 -//CH3OCHO+O = CH2OCHO+OH 9.800E+05 2.43 4.750E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//1/2 TSANG'S C3H8+H -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -//CH3OCHO+H = CH3OCO+H2 6.500E+05 2.40 4.471E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//1/2 TSANG'S C3H8+H -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -//CH3OCHO+H = CH2OCHO+H2 6.650E+05 2.54 6.756E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG '88 C3H8 + CH3 = IC3H7 + CH4 -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -//CH3OCHO+CH3 = CH3OCO+CH4 7.550E-01 3.46 5.481E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG '88 C3H8 + CH3 = NC3H7 + CH4 -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -//CH3OCHO+CH3 = CH2OCHO+CH4 4.520E-01 3.65 7.154E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -//CH3OCHO+CH3O = CH3OCO+CH3OH 5.480E+11 0.00 5.000E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -//CH3OCHO+CH3O = CH2OCHO+CH3OH 2.170E+11 0.00 6.458E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CH3OCHO+CH3O2 = CH3OCO+CH3O2H 4.820E+03 2.60 1.391E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CH3OCHO+CH3O2 = CH2OCHO+CH3O2H 2.380E+04 2.55 1.649E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG '88 C3H8 + HCO -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -//CH3OCHO+HCO = CH3OCO+CH2O 5.400E+06 1.90 1.701E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG '88 C3H8 + HCO -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -//CH3OCHO+HCO = CH2OCHO+CH2O 1.025E+05 2.50 1.843E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FISHER, E.M., PITZ, W.J., CURRAN, H.J., -//WESTBROOK, C.K., PROC. COMB. INST., VOL. 28, 2000. -//CH3OCO = CH2OCHO 1.629E+12 -0.18 4.067E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PIERRE GLAUDE'S RATES -//CH3+CO2 = CH3OCO 4.760E+07 1.54 3.470E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PIERRE GLAUDE'S RATES -//CH3O+CO = CH3OCO 1.550E+06 2.02 5.730E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -//CH2O+HCO = CH2OCHO 1.500E+11 0.00 1.190E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ESTIMATE -NC3H7+H = C3H8 1.000E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ESTIMATE -IC3H7+H = C3H8 1.000E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H8+O2 = IC3H7+HO2 2.000E+13 0.00 4.964E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H8+O2 = NC3H7+HO2 6.000E+13 0.00 5.229E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -H+C3H8 = H2+IC3H7 1.300E+06 2.40 4.471E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -H+C3H8 = H2+NC3H7 1.330E+06 2.54 6.756E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H8+O = IC3H7+OH 5.490E+05 2.50 3.140E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H8+O = NC3H7+OH 3.710E+06 2.40 5.505E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H8+OH = NC3H7+H2O 1.054E+10 0.97 1.586E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H8+OH = IC3H7+H2O 4.670E+07 1.61 -3.500E+01 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.2) -C3H8+HO2 = IC3H7+H2O2 5.880E+04 2.50 1.486E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.5) -C3H8+HO2 = NC3H7+H2O2 8.100E+04 2.50 1.669E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -CH3+C3H8 = CH4+IC3H7 6.400E+04 2.17 7.520E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -CH3+C3H8 = CH4+NC3H7 9.040E-01 3.65 7.154E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM HAUTMAN, D. J., SANTORO, R. J., DRYER, F. L., -//AND GLASSMAN, I., TO BE PUBLISHED. -IC3H7+C3H8 = NC3H7+C3H8 3.000E+10 0.00 1.290E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM HAUTMAN, D. J., SANTORO, R. J., DRYER, F. L., -//AND GLASSMAN, I., TO BE PUBLISHED. -C2H3+C3H8 = C2H4+IC3H7 1.000E+11 0.00 1.040E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM HAUTMAN, D. J., SANTORO, R. J., DRYER, F. L., -//AND GLASSMAN, I., TO BE PUBLISHED. -C2H3+C3H8 = C2H4+NC3H7 1.000E+11 0.00 1.040E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM HAUTMAN, D. J., SANTORO, R. J., DRYER, F. L., -//AND GLASSMAN, I., TO BE PUBLISHED. -C2H5+C3H8 = C2H6+IC3H7 1.000E+11 0.00 1.040E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM HAUTMAN, D. J., SANTORO, R. J., DRYER, F. L., -//AND GLASSMAN, I., TO BE PUBLISHED. -C2H5+C3H8 = C2H6+NC3H7 1.000E+11 0.00 1.040E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//CST 71, 111(1990) -C3H8+C3H5-A = NC3H7+C3H6 7.940E+11 0.00 2.050E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//CST 71, 111(1990) -C3H8+C3H5-A = IC3H7+C3H6 7.940E+11 0.00 1.620E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FRED DRYER ESTIMATE -C3H8+CH3O = NC3H7+CH3OH 3.000E+11 0.00 7.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FRED DRYER ESTIMATE -C3H8+CH3O = IC3H7+CH3OH 3.000E+11 0.00 7.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.5) -CH3O2+C3H8 = CH3O2H+NC3H7 8.100E+04 2.50 1.669E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.2) -CH3O2+C3H8 = CH3O2H+IC3H7 5.880E+04 2.50 1.486E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.5) -C2H5O2+C3H8 = C2H5O2H+NC3H7 8.100E+04 2.50 1.669E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.2) -C2H5O2+C3H8 = C2H5O2H+IC3H7 5.880E+04 2.50 1.486E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANAOLGY TO C2H6+HO2 -NC3H7O2+C3H8 = NC3H7O2H+NC3H7 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM WALKER, R. W., REACTION KINETICS, -//VOL. 1, S. P. R. CHEMICAL SOCIETY, 1975 -NC3H7O2+C3H8 = NC3H7O2H+IC3H7 2.000E+12 0.00 1.700E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANAOLGY TO C2H6+HO2 -IC3H7O2+C3H8 = IC3H7O2H+NC3H7 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM WALKER, R. W., REACTION KINETICS, -//VOL. 1, S. P. R. CHEMICAL SOCIETY, 1975 -IC3H7O2+C3H8 = IC3H7O2H+IC3H7 2.000E+12 0.00 1.700E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM WALKER, R. W., REACTION KINETICS, -//VOL. 1, S. P. R. CHEMICAL SOCIETY, 1975 -C3H8+CH3CO3 = IC3H7+CH3CO3H 2.000E+12 0.00 1.700E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANAOLGY TO C2H6+HO2 -C3H8+CH3CO3 = NC3H7+CH3CO3H 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 -//REV/ 1.673E+12 -0.01 9.570E+03 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANAOLGY TO C2H6+HO2 -C3H8+O2CHO = NC3H7+HO2CHO 5.520E+04 2.55 1.648E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANAOLGY TO C2H6+HO2 -C3H8+O2CHO = IC3H7+HO2CHO 1.475E+04 2.60 1.391E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -H+C3H6 = IC3H7 2.640E+13 0.00 2.160E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7+H = C2H5+CH3 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -IC3H7+O2 = C3H6+HO2 4.500E-19 0.00 5.020E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -IC3H7+OH = C3H6+H2O 2.410E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -IC3H7+O = CH3COCH3+H 4.818E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -IC3H7+O = CH3CHO+CH3 4.818E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7 = CH3+C2H4 9.970E+40 -8.60 4.143E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7 = H+C3H6 8.780E+39 -8.10 4.658E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -NC3H7+O2 = C3H6+HO2 3.000E-19 0.00 3.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -C2H5CHO+NC3H7 = C2H5CO+C3H8 1.700E+12 0.00 8.440E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -C2H5CHO+IC3H7 = C2H5CO+C3H8 1.700E+12 0.00 8.440E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -C2H5CHO+C3H5-A = C2H5CO+C3H6 1.700E+12 0.00 8.440E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6 = C3H5-S+H 7.710E+69 -16.09 1.400E+05 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6 = C3H5-T+H 5.620E+71 -16.58 1.393E+05 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM KOERT ET AL. ENERGY & FUELS -//VOL 6: 485-493 1992 -C3H6+O = C2H5+HCO 1.580E+07 1.76 -1.216E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM KOERT ET AL. ENERGY & FUELS -//VOL 6: 485-493 1992 -C3H6+O = CH2CO+CH3+H 2.500E+07 1.76 7.600E+01 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM KOERT ET AL. ENERGY & FUELS -//VOL 6: 485-493 1992 -C3H6+O = CH3CHCO+H+H 2.500E+07 1.76 7.600E+01 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM KOERT ET AL. ENERGY & FUELS -//VOL 6: 485-493 1992 -C3H6+O = C3H5-A+OH 5.240E+11 0.70 5.884E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM KOERT ET AL. ENERGY & FUELS -//VOL 6: 485-493 1992 -C3H6+O = C3H5-S+OH 1.200E+11 0.70 8.959E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM KOERT ET AL. ENERGY & FUELS -//VOL 6: 485-493 1992 -C3H6+O = C3H5-T+OH 6.030E+10 0.70 7.632E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+OH = C3H5-A+H2O 3.120E+06 2.00 -2.980E+02 0.0 0.0 0.0 -//REV/ 1.347E+07 1.91 3.027E+04 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+OH = C3H5-S+H2O 2.110E+06 2.00 2.778E+03 0.0 0.0 0.0 -//REV/ 2.968E+04 2.39 9.916E+03 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+OH = C3H5-T+H2O 1.110E+06 2.00 1.451E+03 0.0 0.0 0.0 -//REV/ 3.576E+03 2.59 1.070E+04 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 -C3H6+HO2 = C3H5-A+H2O2 2.700E+04 2.50 1.234E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 -C3H6+HO2 = C3H5-S+H2O2 1.800E+04 2.50 2.762E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 -C3H6+HO2 = C3H5-T+H2O2 9.000E+03 2.50 2.359E+04 0.0 0.0 0.0 - -//LASKIN ET AL IJCK 32 589-614 2000 -C3H6+H = C3H5-A+H2 1.73E+05 2.50 2490.0 0.0 0.0 0.0 - -//LASKIN ET AL IJCK 32 589-614 2000 -C3H6+H = C3H5-T+H2 4.00E+05 2.50 9790.0 0.0 0.0 0.0 - -//LASKIN ET AL IJCK 32 589-614 2000 -C3H6+H = C3H5-S+H2 8.04E+05 2.50 12283.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+O2 = C3H5-A+HO2 4.000E+12 0.00 3.990E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+O2 = C3H5-S+HO2 2.000E+12 0.00 6.290E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+O2 = C3H5-T+HO2 1.400E+12 0.00 6.070E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -C3H6+CH3 = C3H5-A+CH4 2.210E+00 3.50 5.675E+03 0.0 0.0 0.0 -//REV/ 8.184E+02 3.07 2.289E+04 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -C3H6+CH3 = C3H5-S+CH4 1.348E+00 3.50 1.285E+04 0.0 0.0 0.0 -//REV/ 1.626E+00 3.55 6.635E+03 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -C3H6+CH3 = C3H5-T+CH4 8.400E-01 3.50 1.166E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA, D. L. AND SHAW, R., -//J. PHYS. CHEM. REF. DATA 9, 523 (1980) -C3H6+C2H5 = C3H5-A+C2H6 1.000E+11 0.00 9.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -C3H6+CH3CO3 = C3H5-A+CH3CO3H 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -C3H6+CH3O2 = C3H5-A+CH3O2H 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+HO2 = C3H6O1-2+OH 1.290E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -C3H6+C2H5O2 = C3H5-A+C2H5O2H 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -C3H6+NC3H7O2 = C3H5-A+NC3H7O2H 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -C3H6+IC3H7O2 = C3H5-A+IC3H7O2H 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -C3H6+OH = C3H6OH 9.930E+11 0.00 -9.600E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WILK, CERNANSKY, PITZ, AND WESTBROOK, C&F 1988. -C3H6OH+O2 = HOC3H6O2 1.200E+11 0.00 -1.100E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -HOC3H6O2 = CH3CHO+CH2O+OH 1.250E+10 0.00 1.890E+04 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-A+H = C3H4-A+H2 1.80E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-A+O = C2H3CHO+H 6.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-A+OH = C3H4-A+H2O 6.00E+12 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-A+HCO = C3H6+CO 6.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-A+CH3 = C3H4-A+CH4 3.00E+12 -0.32 -131.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -C3H5-A+CH3O2 = C3H5O+CH3O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//CST 71, 111(1990) -C3H5-A+C2H5 = C2H6+C3H4-A 4.000E+11 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//CST 71, 111(1990) -C3H5-A+C2H5 = C2H4+C3H6 4.000E+11 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//CST 71, 111(1990) -C3H5-A+C2H3 = C2H4+C3H4-A 1.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//WANG -//J. PHYS. CHEM. REF. DATA 20, 221-273, (1991) -C3H5-A+C3H5-A = C3H4-A+C3H6 8.43E+10 0.0 -262.0 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230 (2005) -//C3H5-A+C2H2 = C*CCJC*C 1.0E+12 0.0 6883.4 - -//ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230 (2005) -//C3H5-A+C2H3 = C5H6+H+H 1.6E+35 -14.0 61137.7 - -//ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230 (2005) -//C3H5-A+C3H3 = C6H6+H+H 5.6E+20 -2.54 1696.9 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -C3H5-A+HO2 = C3H5O+OH 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+H = C3H4-P+H2 3.34E+12 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+O = C2H4+HCO 6.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+OH = C2H4+HCO+H 5.00E+12 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+O2 = CH3CHO+HCO 1.00E+11 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+HO2 = C2H4+HCO+OH 2.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+HCO = C3H6+CO 9.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+CH3 = C3H4-P+CH4 1.00E+11 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+H = C3H4-P+H2 3.34E+12 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+O = CH3+CH2CO 6.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+OH = CH3+CH2CO+H 5.00E+12 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+O2 = CH3CO+CH2O 1.00E+11 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+HO2 = CH3+CH2CO+OH 2.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+HCO = C3H6+CO 9.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+CH3 = C3H4-P+CH4 1.00E+11 0.0 0.0 0.0 0.0 0.0 - - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-A+H = C3H3+H2 1.30E+06 2.0 5500.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-A+O = C2H4+CO 2.00E+07 1.8 1000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-A+OH = C3H3+H2O 5.30E+06 2.0 2000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-A+CH3 = C3H3+CH4 1.30E+12 0.0 7700.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-A+C2H = C2H2+C3H3 1.00E+13 0.0 0.0 0.0 0.0 0.0 - -//ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230 (2005) -C3H4-A+C3H4-A = C3H5-A+C3H3 5.0E+14 0.0 64746.7 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//CST 71, 111(1990) -C3H4-A+C3H5-A = C3H3+C3H6 2.000E+11 0.00 7.700E+03 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230 (2005) -//C3H4-A+C3H3 = C6H6+H 1.4E+12 0.0 9990.4 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+H = C3H3+H2 1.30E+06 2.0 5500.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+C3H3 = C3H4-A+C3H3 6.14E+06 1.74 10450.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+O = HCCO+CH3 0.73E+13 0.0 2250.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+O = C2H4+CO 1.00E+13 0.0 2250.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+OH = C3H3+H2O 1.00E+06 2.0 100.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+C2H = C2H2+C3H3 1.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+CH3 = C3H3+CH4 1.80E+12 0.0 7700.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//CST 71, 111(1990) -C3H4-P+C2H3 = C3H3+C2H4 1.000E+12 0.00 7.700E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//CST 71, 111(1990) -C3H4-P+C3H5-A = C3H3+C3H6 1.000E+12 0.00 7.700E+03 0.0 0.0 0.0 - - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+H = C3H4-P 1.500E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+H = C3H4-A 2.500E+12 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+H = C3H2+H2 5.00E+13 0.0 1000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+O = CH2O+C2H 2.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+OH = C3H2+H2O 2.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+O2 = CH2CO+HCO 3.00E+10 0.0 2868.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+HO2 = OH+CO+C2H3 8.00E+11 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+HO2 = C3H4-A+O2 3.00E+11 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+HO2 = C3H4-P+O2 2.50E+12 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+HCO = C3H4-A+CO 2.50E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+HCO = C3H4-P+CO 2.50E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+HCCO = C4H4+CO 2.50E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+CH = C4H3-I+H 5.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+CH2 = C4H4+H 5.00E+13 0.0 0.0 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//LASKIN ET AL. IJCK 32 589-614 2000 -//C3H3+C3H3 = C6H5+H 5.000E+12 0.0 0.0 -//C3H3+C3H3 = C6H6 2.000E+12 0.0 0.0 -//C3H3+C4H6 = C6H5CH3+H 6.53E+5 1.28 -4611.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5+C2H = C3H3+CH3 1.810E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H2+H = C3H3 1.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H2+O = C2H2+CO 6.80E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H2+OH = HCO+C2H2 6.80E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H2+O2 = HCCO+H+CO 2.00E+12 0.0 1000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H2+CH = C4H2+H 5.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H2+CH2 = C4H3-N+H 5.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H2+CH3 = C4H4+H 5.00E+12 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H2+HCCO = C4H3-N+CO 1.00E+13 0.0 0.0 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//LASKIN ET AL. IJCK 32 589-614 2000 -//C3H2+C3H3 = C6H5 7.00E+12 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H2+O2 = HCO+HCCO 5.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH3CHCO+OH = C2H5+CO2 1.730E+12 0.00 -1.010E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH3CHCO+OH = SC2H4OH+CO 2.000E+12 0.00 -1.010E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH3CHCO+H = C2H5+CO 4.400E+12 0.00 1.459E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH3CHCO+O = CH3CHO+CO 3.200E+12 0.00 -4.370E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -NC3H7+HO2 = NC3H7O+OH 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7+HO2 = IC3H7O+OH 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -CH3O2+NC3H7 = CH3O+NC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -CH3O2+IC3H7 = CH3O+IC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7+O2 = NC3H7O2 4.520E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7+O2 = IC3H7O2 7.540E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH2O+HO2 -NC3H7O2+CH2O = NC3H7O2H+HCO 5.600E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HALF OF CH2O+HO2 -NC3H7O2+CH3CHO = NC3H7O2H+CH3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH2O+HO2 -IC3H7O2+CH2O = IC3H7O2H+HCO 5.600E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HALF OF CH2O+HO2 -IC3H7O2+CH3CHO = IC3H7O2H+CH3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+HO2 = NC3H7O2H+O2 1.750E+10 0.00 -3.275E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+HO2 = IC3H7O2H+O2 1.750E+10 0.00 -3.275E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H4+HO2 -C2H4+NC3H7O2 = C2H3+NC3H7O2H 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H4+HO2 -C2H4+IC3H7O2 = C2H3+IC3H7O2H 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH3OH+HO2 -CH3OH+NC3H7O2 = CH2OH+NC3H7O2H 6.300E+12 0.00 1.936E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH3OH+HO2 -CH3OH+IC3H7O2 = CH2OH+IC3H7O2H 6.300E+12 0.00 1.936E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HALF OF CH2O+HO2 -C2H3CHO+NC3H7O2 = C2H3CO+NC3H7O2H 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HALF OF CH2O+HO2 -C2H3CHO+IC3H7O2 = C2H3CO+IC3H7O2H 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH4+HO2 -CH4+NC3H7O2 = CH3+NC3H7O2H 1.120E+13 0.00 2.464E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH4+HO2 -CH4+IC3H7O2 = CH3+IC3H7O2H 1.120E+13 0.00 2.464E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+CH3O2 = NC3H7O+CH3O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+CH3O2 = IC3H7O+CH3O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -H2+NC3H7O2 = H+NC3H7O2H 3.010E+13 0.00 2.603E+04 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -H2+IC3H7O2 = H+IC3H7O2H 3.010E+13 0.00 2.603E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC3H7O2+C2H6 = IC3H7O2H+C2H5 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -NC3H7O2+C2H6 = NC3H7O2H+C2H5 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC3H7O2+C2H5CHO = IC3H7O2H+C2H5CO 2.000E+11 0.00 9.500E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -NC3H7O2+C2H5CHO = NC3H7O2H+C2H5CO 2.000E+11 0.00 9.500E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+CH3CO3 = IC3H7O+CH3CO2+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+CH3CO3 = NC3H7O+CH3CO2+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+C2H5O2 = IC3H7O+C2H5O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+C2H5O2 = NC3H7O+C2H5O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+IC3H7O2 = O2+IC3H7O+IC3H7O 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+NC3H7O2 = O2+NC3H7O+NC3H7O 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+NC3H7O2 = IC3H7O+NC3H7O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7O2+CH3 = IC3H7O+CH3O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7O2+C2H5 = IC3H7O+C2H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7O2+IC3H7 = IC3H7O+IC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7O2+NC3H7 = IC3H7O+NC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7O2+C3H5-A = IC3H7O+C3H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -NC3H7O2+CH3 = NC3H7O+CH3O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -NC3H7O2+C2H5 = NC3H7O+C2H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -NC3H7O2+IC3H7 = NC3H7O+IC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -NC3H7O2+NC3H7 = NC3H7O+NC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -NC3H7O2+C3H5-A = NC3H7O+C3H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2H = NC3H7O+OH 1.500E+16 0.00 4.250E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2H = IC3H7O+OH 9.450E+15 0.00 4.260E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5+CH2O = NC3H7O 1.000E+11 0.00 3.496E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5CHO+H = NC3H7O 4.000E+12 0.00 6.260E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3+CH3CHO = IC3H7O 1.000E+11 0.00 9.256E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH3+H = IC3H7O 2.000E+12 0.00 7.270E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BALLA, NELSON, AND MCDONALD, -//CHEM. PHYSICS, 99, 323 (1985) -IC3H7O+O2 = CH3COCH3+HO2 9.090E+09 0.00 3.900E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2 = C3H6OOH1-2 6.000E+11 0.00 2.685E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2 = C3H6OOH1-3 1.125E+11 0.00 2.440E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2 = C3H6OOH2-1 1.800E+12 0.00 2.940E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BOZZELLI, J. AND DEAN, A, 1992 -IC3H7O2 = C3H6OOH2-2 1.230E+35 -6.96 4.888E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-2 = C3H6O1-2+OH 6.000E+11 0.00 2.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-3 = C3H6O1-3+OH 7.500E+10 0.00 1.525E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH2-1 = C3H6O1-2+OH 6.000E+11 0.00 2.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+HO2 = C3H6OOH1-2 1.000E+11 0.00 1.100E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+HO2 = C3H6OOH2-1 1.000E+11 0.00 1.175E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-3 = OH+CH2O+C2H4 3.035E+15 -0.79 2.740E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BOZZELLI AND PITZ, 1995 -C3H6OOH2-1 = C2H3OOH+CH3 6.540E+27 -5.14 3.832E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BOZZELLI AND PITZ, 1995 -C3H6OOH1-2 = C2H4+CH2O+OH 1.310E+33 -7.01 4.812E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H6OOH2-2 = CH3COCH3+OH 9.000E+14 0.00 1.500E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-2+O2 = C3H6OOH1-2O2 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-3+O2 = C3H6OOH1-3O2 4.520E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH2-1+O2 = C3H6OOH2-1O2 4.520E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-2O2 = C3KET12+OH 6.000E+11 0.00 2.640E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-3O2 = C3KET13+OH 7.500E+10 0.00 2.140E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH2-1O2 = CH3COCH2O2H+OH 3.000E+11 0.00 2.385E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH2-1O2 = C3H51-2,3OOH 1.125E+11 0.00 2.440E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-2O2 = C3H51-2,3OOH 9.000E+11 0.00 2.940E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BOZZELLI AND PITZ, 1993 -C3H51-2,3OOH = AC3H5OOH+HO2 2.560E+13 -0.49 1.777E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-3O2 = C3H52-1,3OOH 6.000E+11 0.00 2.685E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BOZZELLI AND PITZ, 1993 -C3H52-1,3OOH = AC3H5OOH+HO2 1.150E+14 -0.63 1.725E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3KET12 = CH3CHO+HCO+OH 9.450E+15 0.00 4.300E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3KET13 = CH2O+CH2CHO+OH 1.000E+16 0.00 4.300E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH2O2H = CH2O+CH3CO+OH 1.000E+16 0.00 4.300E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H5O+OH = AC3H5OOH 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H5O = C2H3CHO+H 1.000E+14 0.00 2.910E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H3+CH2O = C3H5O 1.5E+11 0.0 10600.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ACETALDEHYDE ANALOG -C3H5O+O2 = C2H3CHO+HO2 1.000E+12 0.00 6.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C2H3OOH = CH2CHO+OH 8.400E+14 0.00 4.300E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FLOWERS, M. C., -//J. CHEM. SOC. FAR. TRANS. I 73, 1927 (1977) -C3H6O1-2 = C2H4+CH2O 6.000E+14 0.00 6.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -C3H6O1-2+OH = CH2O+C2H3+H2O 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -C3H6O1-2+H = CH2O+C2H3+H2 2.630E+07 2.00 5.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -C3H6O1-2+O = CH2O+C2H3+OH 8.430E+13 0.00 5.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -C3H6O1-2+HO2 = CH2O+C2H3+H2O2 1.000E+13 0.00 1.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -C3H6O1-2+CH3O2 = CH2O+C2H3+CH3O2H 1.000E+13 0.00 1.900E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -C3H6O1-2+CH3 = CH2O+C2H3+CH4 2.000E+11 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK AND PITZ ESTIMATE (1983) -C3H6O1-3 = C2H4+CH2O 6.000E+14 0.00 6.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C3H6O1-3+OH = CH2O+C2H3+H2O 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C3H6O1-3+O = CH2O+C2H3+OH 8.430E+13 0.00 5.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C3H6O1-3+H = CH2O+C2H3+H2 2.630E+07 2.00 5.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C3H6O1-3+CH3O2 = CH2O+C2H3+CH3O2H 1.000E+13 0.00 1.900E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C3H6O1-3+HO2 = CH2O+C2H3+H2O2 1.000E+13 0.00 1.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C3H6O1-3+CH3 = CH2O+C2H3+CH4 2.000E+11 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2 = C3H6+HO2 1.015E+43 -9.41 4.149E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2 = C3H6+HO2 5.044E+38 -8.11 4.049E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9+H = C4H10 3.610E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9+H = C4H10 3.610E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H10+O2 = PC4H9+HO2 6.000E+13 0.00 5.234E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H10+O2 = SC4H9+HO2 4.000E+13 0.00 4.980E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA, D. L. AND SHAW, R., -//J. PHYS. CHEM. REF. DATA 9, 523 (1980) -C4H10+C3H5-A = PC4H9+C3H6 7.940E+11 0.00 2.050E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA, D. L. AND SHAW, R., -//J. PHYS. CHEM. REF. DATA 9, 523 (1980) -C4H10+C3H5-A = SC4H9+C3H6 3.160E+11 0.00 1.640E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA, D. L. AND SHAW, R., -//J. PHYS. CHEM. REF. DATA 9, 523 (1980) -C4H10+C2H5 = PC4H9+C2H6 1.580E+11 0.00 1.230E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA, D. L. AND EDELSON, D., -//INT. J. CHEM. KINET. 7, 479 (1975) -C4H10+C2H5 = SC4H9+C2H6 1.000E+11 0.00 1.040E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//SUNDARAM, K. M. AND FROMENT, G. F., I. -//AND E. C. FUNDAMENTALS 17, 174 (1978) -C4H10+C2H3 = PC4H9+C2H4 1.000E+12 0.00 1.800E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//SUNDARAM, K. M. AND FROMENT, G. F., I. -//AND E. C. FUNDAMENTALS 17, 174 (1978) -C4H10+C2H3 = SC4H9+C2H4 8.000E+11 0.00 1.680E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H10+CH3 = PC4H9+CH4 9.040E-01 3.65 7.154E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H10+CH3 = SC4H9+CH4 3.020E+00 3.46 5.481E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H10+H = PC4H9+H2 1.880E+05 2.75 6.280E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H10+H = SC4H9+H2 2.600E+06 2.40 4.471E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H10+OH = PC4H9+H2O 1.054E+10 0.97 1.586E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H10+OH = SC4H9+H2O 9.340E+07 1.61 -3.500E+01 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//MICHAEL, KEIL AND KLEM, -//INT. J. CHEM. KIN. 15, 705 (1983) -C4H10+O = PC4H9+OH 1.130E+14 0.00 7.850E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//MICHAEL, KEIL AND KLEM, -//INT. J. CHEM. KIN. 15, 705 (1983) -C4H10+O = SC4H9+OH 5.620E+13 0.00 5.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.5) -C4H10+HO2 = PC4H9+H2O2 8.100E+04 2.50 1.669E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.2) -C4H10+HO2 = SC4H9+H2O2 1.176E+05 2.50 1.486E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FRED DRYER ESTIMATE -C4H10+CH3O = PC4H9+CH3OH 3.000E+11 0.00 7.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FRED DRYER ESTIMATE -C4H10+CH3O = SC4H9+CH3OH 6.000E+11 0.00 7.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH CH3O -C4H10+C2H5O = PC4H9+C2H5OH 3.000E+11 0.00 7.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH CH3O -C4H10+C2H5O = SC4H9+C2H5OH 6.000E+11 0.00 7.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK AND PITZ ESTIMATE (1983) -C4H10+PC4H9 = SC4H9+C4H10 1.000E+11 0.00 1.040E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -C4H10+CH3CO3 = PC4H9+CH3CO3H 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -C4H10+CH3CO3 = SC4H9+CH3CO3H 1.120E+13 0.00 1.770E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH RH + RO2 --> R + RO2H -C4H10+O2CHO = PC4H9+HO2CHO 1.680E+13 0.00 2.044E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH RH + RO2 --> R + RO2H -C4H10+O2CHO = SC4H9+HO2CHO 1.120E+13 0.00 1.769E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.5) -CH3O2+C4H10 = CH3O2H+PC4H9 8.100E+04 2.50 1.669E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.2) -CH3O2+C4H10 = CH3O2H+SC4H9 1.176E+05 2.50 1.486E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -C2H5O2+C4H10 = C2H5O2H+PC4H9 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -C2H5O2+C4H10 = C2H5O2H+SC4H9 1.120E+13 0.00 1.770E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -NC3H7O2+C4H10 = NC3H7O2H+PC4H9 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -NC3H7O2+C4H10 = NC3H7O2H+SC4H9 1.120E+13 0.00 1.770E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -IC3H7O2+C4H10 = IC3H7O2H+PC4H9 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -IC3H7O2+C4H10 = IC3H7O2H+SC4H9 1.120E+13 0.00 1.770E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -PC4H9O2+C3H8 = PC4H9O2H+NC3H7 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., REACTION KINETICS, -//VOL. 1, S. P. R. CHEMICAL SOCIETY, 1975 -PC4H9O2+C3H8 = PC4H9O2H+IC3H7 2.000E+12 0.00 1.700E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -PC4H9O2+C4H10 = PC4H9O2H+PC4H9 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -PC4H9O2+C4H10 = PC4H9O2H+SC4H9 1.120E+13 0.00 1.770E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -SC4H9O2+C3H8 = SC4H9O2H+NC3H7 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., REACTION KINETICS, -//VOL. 1, S. P. R. CHEMICAL SOCIETY, 1975 -SC4H9O2+C3H8 = SC4H9O2H+IC3H7 2.000E+12 0.00 1.700E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -SC4H9O2+C4H10 = SC4H9O2H+PC4H9 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -SC4H9O2+C4H10 = SC4H9O2H+SC4H9 1.120E+13 0.00 1.770E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5+C2H4 = PC4H9 1.320E+04 2.48 6.130E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+CH3 = SC4H9 1.760E+04 2.48 6.130E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8-1+H = PC4H9 2.500E+11 0.51 2.620E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8-2+H = SC4H9 2.500E+11 0.51 2.620E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8-1+H = SC4H9 4.240E+11 0.51 1.230E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -PC4H9+O2 = C4H8-1+HO2 2.000E-18 0.00 5.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -SC4H9+O2 = C4H8-1+HO2 2.000E-18 0.00 5.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -SC4H9+O2 = C4H8-2+HO2 2.000E-18 0.00 5.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK AND PITZ ESTIMATE (1983) -C2H3+C2H5 = C4H8-1 9.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA, D. L. AND SHAW, R., -//J. PHYS. CHEM. REF. DATA 9, 523 (1980) -H+C4H71-3 = C4H8-1 5.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+O2 = C4H71-3+HO2 2.000E+13 0.00 3.719E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+H = C4H71-1+H2 7.810E+05 2.50 1.229E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+H = C4H71-2+H2 3.900E+05 2.50 5.821E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+H = C4H71-3+H2 3.376E+05 2.36 2.070E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+H = C4H71-4+H2 6.651E+05 2.54 6.756E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+OH = C4H71-1+H2O 2.140E+06 2.00 2.778E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+OH = C4H71-2+H2O 2.220E+06 2.00 1.451E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+OH = C4H71-3+H2O 2.764E+04 2.64 -1.919E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+OH = C4H71-4+H2O 5.270E+09 0.97 1.586E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+CH3 = C4H71-3+CH4 3.690E+00 3.31 4.002E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+CH3 = C4H71-4+CH4 4.520E-01 3.65 7.154E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+HO2 = C4H71-3+H2O2 4.820E+03 2.55 1.053E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+HO2 = C4H71-4+H2O2 2.380E+03 2.55 1.649E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+CH3O2 = C4H71-3+CH3O2H 4.820E+03 2.55 1.053E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+CH3O2 = C4H71-4+CH3O2H 2.380E+03 2.55 1.649E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+CH3O = C4H71-3+CH3OH 4.000E+01 2.90 8.609E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+CH3O = C4H71-4+CH3OH 2.170E+11 0.00 6.458E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//DECHAUX, J.C., OXID. COMM. 2, 95 (1981) -C4H8-1+CH3CO3 = C4H71-3+CH3CO3H 1.000E+11 0.00 8.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA, D. L. AND SHAW, R., -//J. PHYS. CHEM. REF. DATA 9, 523 (1980) -C4H8-1+C3H5-A = C4H71-3+C3H6 7.900E+10 0.00 1.240E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA, D. L. AND EDELSON, D., -//INT. J. CHEM. KINET. 7, 479 (1975) -C4H71-3+C4H71-3 = C4H8-1+C4H6 1.6E+12 0.0 0.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C4H8-1+C2H5O2 = C4H71-3+C2H5O2H 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C4H8-1+NC3H7O2 = C4H71-3+NC3H7O2H 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C4H8-1+IC3H7O2 = C4H71-3+IC3H7O2H 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C4H8-1+PC4H9O2 = C4H71-3+PC4H9O2H 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C4H8-1+SC4H9O2 = C4H71-3+SC4H9O2H 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C4H8-1+CH3O2 = C4H8O1-2+CH3O 1.000E+12 0.00 1.434E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA AND SHAW, 1980, PARALLEL -H+C4H71-3 = C4H8-2 5.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-2+O2 = C4H71-3+HO2 4.000E+13 0.00 3.939E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-2+H = C4H71-3+H2 3.460E+05 2.50 2.492E+03 0.0 0.0 0.0 -//REV/ 6.428E+06 1.99 1.966E+04 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-2+OH = C4H71-3+H2O 6.240E+06 2.00 -2.980E+02 0.0 0.0 0.0 -//REV/ 5.019E+08 1.49 3.202E+04 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-2+CH3 = C4H71-3+CH4 4.420E+00 3.50 5.675E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-2+HO2 = C4H71-3+H2O2 1.928E+04 2.60 1.391E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-2+CH3O2 = C4H71-3+CH3O2H 1.928E+04 2.60 1.391E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-2+CH3O = C4H71-3+CH3OH 1.800E+01 2.95 1.199E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TWICE RATE OF C3H6+HO2 -C4H8-2+C2H5O2 = C4H71-3+C2H5O2H 3.200E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TWICE RATE OF C3H6+HO2 -C4H8-2+NC3H7O2 = C4H71-3+NC3H7O2H 3.200E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TWICE RATE OF C3H6+HO2 -C4H8-2+IC3H7O2 = C4H71-3+IC3H7O2H 3.200E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TWICE RATE OF C3H6+HO2 -C4H8-2+PC4H9O2 = C4H71-3+PC4H9O2H 3.200E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TWICE RATE OF C3H6+HO2 -C4H8-2+SC4H9O2 = C4H71-3+SC4H9O2H 3.200E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -C4H8-1+HO2 = C4H8O1-2+OH 1.000E+12 0.00 1.434E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -C4H8-2+HO2 = C4H8O2-3+OH 5.620E+11 0.00 1.231E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -C4H8-2+CH3O2 = C4H8O2-3+CH3O 5.620E+11 0.00 1.231E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TULLY, PRIVATE COMMUNICATION, 1986. -C4H8-1+OH = C4H8OH-1 4.750E+12 0.00 -7.820E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TULLY, PRIVATE COMMUNICATION, 1986. -C4H8-2+OH = C4H8OH-2 4.750E+12 0.00 -7.820E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OH-1+O2 = C4H8OH-1O2 2.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OH-2+O2 = C4H8OH-2O2 2.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO PROPENE -C4H8OH-1O2 = C2H5CHO+CH2O+OH 1.000E+16 0.00 2.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO PROPENE -C4H8OH-2O2 = OH+CH3CHO+CH3CHO 1.000E+16 0.00 2.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H2+C2H5 = C4H71-1 2.000E+11 0.00 7.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H4-A+CH3 = C4H71-2 2.000E+11 0.00 7.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H4+C2H3 = C4H71-4 2.000E+11 0.00 7.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H4-P+CH3 = C4H72-2 1.0E+11 0.0 7800.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA, D. L. AND SHAW, R., -//J. PHYS. CHEM. REF. DATA 9, 523 (1980) -C4H6+H = C4H71-3 4.0E+13 0.0 1300.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H71-3+C2H5 = C4H8-1+C2H4 2.590E+12 0.00 -1.310E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H71-3+CH3O = C4H8-1+CH2O 2.410E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H71-3+O = C2H3CHO+CH3 6.030E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H71-3+HO2 = C4H7O+OH 9.640E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H71-3+CH3O2 = C4H7O+CH3O 9.640E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//EDELSON AND ALLARA, 1980 -C3H5-A+C4H71-3 = C3H6+C4H6 6.310E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BALDWIN, BENNETT, AND WALKER, -//JCS FARADAY I, 76, 2396 (1980) -C4H71-3+O2 = C4H6+HO2 1.000E+09 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA, D. L. AND SHAW, R., -//J. PHYS. CHEM. REF. DATA 9, 523 (1980) -H+C4H71-3 = C4H6+H2 3.160E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//EDELSON AND ALLARA, 1980 -C2H5+C4H71-3 = C4H6+C2H6 3.980E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//EDELSON AND ALLARA, 1980 -C2H3+C4H71-3 = C2H4+C4H6 3.980E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH3O2+CH3 -C4H71-3+C2H5O2 = C4H7O+C2H5O 3.800E+12 0.00 -1.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH3O2+CH3 -IC3H7O2+C4H71-3 = IC3H7O+C4H7O 3.800E+12 0.00 -1.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH3O2+CH3 -NC3H7O2+C4H71-3 = NC3H7O+C4H7O 3.800E+12 0.00 -1.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO BATT'S RATE FOR S-BUTOXY DECOMPOSITION -C4H7O = CH3CHO+C2H3 7.940E+14 0.00 1.900E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO BATT'S RATE FOR S-BUTOXY DECOMPOSITION -C4H7O = C2H3CHO+CH3 7.940E+14 0.00 1.900E+04 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6 = C4H5-I+H 5.70E+36 -6.27 112353. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6 = C4H5-N+H 5.30E+44 -8.62 123608. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6 = C4H4+H2 2.50E+15 0.0 94700.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+H = C4H5-N+H2 1.33E+06 2.53 12240.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+H = C4H5-I+H2 6.65E+05 2.53 9240.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+H = C3H4-P+CH3 2.00E+12 0.0 7000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+H = C3H4-A+CH3 2.00E+12 0.0 7000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+O = C4H5-N+OH 0.75E+07 1.900 3740.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+O = C4H5-I+OH 0.75E+07 1.900 3740.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+O = CH3CHCHCO+H 1.5E+08 1.45 -860.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+O = CH2CHCHCHO+H 4.5E+08 1.45 -860.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+OH = C4H5-N+H2O 6.20E+06 2.0 3430.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+OH = C4H5-I+H2O 3.10E+06 2.0 430.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+HO2 = C4H6O25+OH 1.20E+12 0.0 14000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+HO2 = C2H3CHOCH2+OH 4.80E+12 0.0 14000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+CH3 = C4H5-N+CH4 2.00E+14 0.0 22800.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+CH3 = C4H5-I+CH4 1.00E+14 0.0 19800.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+C2H3 = C4H5-N+C2H4 5.00E+13 0.0 22800.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+C2H3 = C4H5-I+C2H4 2.50E+13 0.0 19800.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+C3H3 = C4H5-N+C3H4-A 1.00E+13 0.0 22500.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+C3H3 = C4H5-I+C3H4-A 0.50E+13 0.0 19500.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+C3H5-A = C4H5-N+C3H6 1.00E+13 0.0 22500.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+C3H5-A = C4H5-I+C3H6 0.50E+13 0.0 19500.0 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//LASKIN ET AL. IJCK 32 589-614 2000 -//C4H6+C2H3 = C6H6+H2+H 5.62E+11 0.0 3240. - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-N = C4H5-I 1.5E+67 -16.89 59100. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-N+H = C4H5-I+H 3.1E+26 -3.35 17423. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-N+H = C4H4+H2 1.5E+13 0.00 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-N+OH = C4H4+H2O 2.0E+12 0.00 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-N+HCO = C4H6+CO 5.00E+12 0.0 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-N+HO2 = C2H3+CH2CO+OH 6.60E+12 0.0 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-N+H2O2 = C4H6+HO2 1.21E+10 0.0 -596. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-N+HO2 = C4H6+O2 6.00E+11 0.0 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-N+O2 = CH2CHCHCHO+O 3.00E+11 0.29 11. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-N+O2 = HCO+C2H3CHO 9.20E+16 -1.39 1010. 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//LASKIN ET AL. IJCK 32 589-614 2000 -//C4H5-N+C2H2 = C6H6+H 1.60E+16 -1.33 5400. -//C4H5-N+C2H3 = C6H6+H2 1.84E-13 7.07 -3611. -//C4H5-N+C4H4 = C6H5C2H3+H 3.160E+11 0.0 600. - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-I+H = C4H4+H2 3.0E+13 0.00 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-I+H = C3H3+CH3 2.00E+13 0.0 2000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-I+OH = C4H4+H2O 4.0E+12 0.00 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-I+HCO = C4H6+CO 5.00E+12 0.0 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-I+HO2 = C4H6+O2 6.000E+11 0.00 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-I+HO2 = C2H3+CH2CO+OH 6.60E+12 0.0 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-I+H2O2 = C4H6+HO2 1.21E+10 0.000 -596. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-I+O2 = CH2CO+CH2CHO 2.16E+10 0.00 2500. 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//LASKIN ET AL. IJCK 32 589-614 2000 -//C4H5-I+C4H4 = C6H5C2H3+H 5.000E+14 0.0 25000. - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-2 = C4H5-I 1.5E+67 -16.89 59100. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-2+H = C4H5-I+H 3.1E+26 -3.35 17423. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-2+HO2 = OH+C2H2+CH3CO 8.00E+11 0.0 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-2+O2 = CH3CO+CH2CO 2.16E+10 0.00 2500. 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//LASKIN ET AL. IJCK 32 589-614 2000 -//C4H5-2+C2H2 = C6H6+H 5.00E+14 0.00 25000.0//ESTIMATED -//C4H5-2+C2H4 = C5H6+CH3 5.00E+14 0.000 25000.0//ESTIMATED -//C4H5-2+C4H4 = C6H5C2H3+H 5.00E+14 0.0 25000. //ESTIMATED - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H612 = C4H5-I+H 4.20E+15 0.0 92600.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H612+H = C4H6+H 2.00E+13 0.0 4000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H612+H = C4H5-I+H2 1.70E+05 2.5 2490.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H612+H = C3H4-A+CH3 2.00E+13 0.0 2000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H612+H = C3H4-P+CH3 2.00E+13 0.0 2000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H612+CH3 = C4H5-I+CH4 7.00E+13 0.0 18500.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H612+O = CH2CO+C2H4 1.20E+08 1.65 327.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H612+O = C4H5-I+OH 1.80E+11 0.70 5880.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H612+OH = C4H5-I+H2O 3.10E+06 2.00 -298.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H612 = C4H6 3.00E+13 0.0 65000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6-2 = C4H6 3.00E+13 0.00 65000.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6-2 = C4H612 3.00E+13 0.00 67000.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6-2+H = C4H612+H 2.00E+13 0.0 4000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6-2+H = C4H5-2+H2 3.40E+05 2.5 2490.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6-2+H = CH3+C3H4-P 2.60E+5 2.500 1000.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6-2 = H+C4H5-2 5.00E+15 0.00 87300.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6-2+CH3 = C4H5-2+CH4 1.40E+14 0.0 18500.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C2H3CHOCH2 = C4H6O23 2.00E+14 0.0 50600.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6O23 = CH3CHCHCHO 1.95E+13 0.0 49400.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6O23 = C2H4+CH2CO 5.75E+15 0.0 69300.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6O23 = C2H2+C2H4O1-2 1.00E+16 0.0 75800.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6O25 = C4H4O+H2 5.30E+12 0.0 48500.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H4O = CO+C3H4-P 1.78E+15 0.0 77500.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H4O = C2H2+CH2CO 5.01E+14 0.0 77500.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCHO = C3H6+CO 3.90E+14 0.0 69000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCHO+H = CH2CHCHCHO+H2 1.70E+5 2.5 2490.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCHO+H = CH3CHCHCO+H2 1.00E+5 2.5 2490.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCHO+H = CH3+C2H3CHO 4.00E+21 -2.390 11180.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCHO+H = C3H6+HCO 4.00E+21 -2.390 11180.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCHO+CH3 = CH2CHCHCHO+CH4 2.10E+00 3.50 5675.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCHO+CH3 = CH3CHCHCO+CH4 1.10E+00 3.50 5675.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCHO+C2H3 = CH2CHCHCHO+C2H4 2.210E+00 3.50 4682.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCHO+C2H3 = CH3CHCHCO+C2H4 1.110E+00 3.50 4682.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCO = C3H5-S+CO 1.00E14 0.0 30000.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCO+H = CH3CHCHCHO 1.00E+14 0.0 00.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH2CHCHCHO = C3H5-A+CO 1.00E14 0.0 25000.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH2CHCHCHO+H = CH3CHCHCHO 1.00E+14 0.0 00.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C6H2+H = C6H3 1.10E+30 -4.92 10800.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C6H3+H = C4H2+C2H2 2.80E+23 -2.55 10780.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C6H3+H = L-C6H4 3.40E+43 -9.01 12120.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C6H3+H = C6H2+H2 3.00E+13 0.00 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C6H3+OH = C6H2+H2O 4.00E+12 0.00 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C6H3+O2 => CO+C3H2+HCCO 5.00E+11 0.00 0.0 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//LASKIN ET AL. IJCK 32 589-614 2000 -//L-C6H4+H = C6H5 1.70E+78 -19.72 31400. - -//LASKIN ET AL. IJCK 32 589-614 2000 -L-C6H4+H = C-C6H4+H 1.40E+54 -11.70 34500. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -L-C6H4+H = C6H3+H2 1.33E+06 2.53 9240.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -L-C6H4+OH = C6H3+H2O 3.10E+06 2.0 430.0 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//LASKIN ET AL. IJCK 32 589-614 2000 -//C-C6H4+H = C6H5 2.40E+60 -13.66 29500. - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H4+H = C4H5-N 1.30E+51 -11.92 16500. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H4+H = C4H5-I 4.90E+51 -11.92 17700. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H4+H = C4H3-N+H2 6.65E+05 2.53 12240.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H4+H = C4H3-I+H2 3.33E+05 2.53 9240.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H4+OH = C4H3-N+H2O 3.10E+07 2.0 3430.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H4+OH = C4H3-I+H2O 1.55E+07 2.0 430.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H4+O = C3H3+HCO 6.0E+08 1.45 -860.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H4+C2H = L-C6H4+H 1.20E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-N = C4H3-I 4.10E+43 -9.49 53000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-N+H = C4H3-I+H 2.50E+20 -1.67 10800.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-N+H = C2H2+H2CC 6.30E+25 -3.34 10014.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-N+H = C4H4 2.00E+47 -10.26 13070.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-N+H = C4H2+H2 3.00E+13 0.00 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-N+OH = C4H2+H2O 2.00E+12 0.00 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-N+C2H2 = L-C6H4+H 2.50E+14 -0.56 10600. 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//LASKIN ET AL. IJCK 32 589-614 2000 -//C4H3-N+C2H2 = C6H5 9.60E+70 -17.77 31300. - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-N+C2H2 = C-C6H4+H 6.90E+46 -10.01 30100. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-I+H = C2H2+H2CC 2.80E+23 -2.55 10780.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-I+H = C4H4 3.40E+43 -9.01 12120.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-I+H = C4H2+H2 6.00E+13 0.00 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-I+OH = C4H2+H2O 4.00E+12 0.00 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-I+O2 = HCCO+CH2CO 7.86E+16 -1.80 0.0 0.0 0.0 0.0 - -//ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230 (2005) -C4H3-I+CH2 = C3H4-A+C2H 2.0E+13 0.0 0.0 0.0 0.0 0.0 - -//ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230 (2005) -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//C4H3-I+CH3 = C5H6 1.0E+12 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H2+H = C4H3-N 1.10E+42 -8.72 15300.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H2+H = C4H3-I 1.10E+30 -4.92 10800.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H2+O = C3H2+CO 2.70E+13 0.0 1720.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H2+OH = H2C4O+H 6.60E+12 0.0 -410.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H2+C2H = C6H2+H 9.60E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H2+C2H = C6H3 4.50E+37 -7.68 7100.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -H2C4O+H = C2H2+HCCO 5.00E+13 0.0 3000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -H2C4O+OH = CH2CO+HCCO 1.00E+07 2.0 2000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -H2CC+H = C2H2+H 1.000E+14 0.00 0.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -H2CC+OH = CH2CO+H 2.000E+13 0.00 0.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -H2CC+O2 = HCO+HCO 1.000E+13 0.00 0.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -H2CC+C2H4 = C4H6 1.00E+12 0.0 0.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-2+OH = CH2O+C3H5-A+H2O 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-2+H = CH2O+C3H5-A+H2 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-2+O = CH2O+C3H5-A+OH 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-2+HO2 = CH2O+C3H5-A+H2O2 1.000E+13 0.00 1.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-2+CH3O2 = CH2O+C3H5-A+CH3O2H 1.000E+13 0.00 1.900E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-2+CH3 = CH2O+C3H5-A+CH4 2.000E+11 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-3+OH = CH2O+C3H5-A+H2O 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-3+H = CH2O+C3H5-A+H2 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-3+O = CH2O+C3H5-A+OH 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-3+HO2 = CH2O+C3H5-A+H2O2 1.000E+13 0.00 1.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-3+CH3O2 = CH2O+C3H5-A+CH3O2H 1.000E+13 0.00 1.900E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-3+CH3 = CH2O+C3H5-A+CH4 2.000E+11 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-4+OH = CH2O+C3H5-A+H2O 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-4+H = CH2O+C3H5-A+H2 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-4+O = CH2O+C3H5-A+OH 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-4+HO2 = CH2O+C3H5-A+H2O2 1.000E+13 0.00 1.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-4+CH3O2 = CH2O+C3H5-A+CH3O2H 1.000E+13 0.00 1.900E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-4+CH3 = CH2O+C3H5-A+CH4 2.000E+11 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O2-3+OH = CH2O+C3H5-A+H2O 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O2-3+H = CH2O+C3H5-A+H2 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O2-3+O = CH2O+C3H5-A+OH 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O2-3+HO2 = CH2O+C3H5-A+H2O2 1.000E+13 0.00 1.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O2-3+CH3O2 = CH2O+C3H5-A+CH3O2H 1.000E+13 0.00 1.900E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O2-3+CH3 = CH2O+C3H5-A+CH4 2.000E+11 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9+O2 = PC4H9O2 4.520E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9+O2 = SC4H9O2 7.540E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH2O+HO2 -SC4H9O2+CH2O = SC4H9O2H+HCO 5.600E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HALF OF CH2O+HO2 -SC4H9O2+CH3CHO = SC4H9O2H+CH3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+HO2 = SC4H9O2H+O2 1.750E+10 0.00 -3.275E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+PC4H9 = IC3H7O+PC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+SC4H9 = IC3H7O+SC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+PC4H9 = NC3H7O+PC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+SC4H9 = NC3H7O+SC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+SC4H9O2 = O2+SC4H9O+SC4H9O 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+NC3H7O2 = SC4H9O+NC3H7O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+IC3H7O2 = SC4H9O+IC3H7O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+C2H5O2 = SC4H9O+C2H5O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+CH3O2 = SC4H9O+CH3O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+CH3CO3 = SC4H9O+CH3CO2+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -PC4H9O2+HO2 = PC4H9O+OH+O2 1.400E-14 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -SC4H9O2+HO2 = SC4H9O+OH+O2 1.400E-14 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -H2+PC4H9O2 = H+PC4H9O2H 3.010E+13 0.00 2.603E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -H2+SC4H9O2 = H+SC4H9O2H 3.010E+13 0.00 2.603E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -C2H6+PC4H9O2 = C2H5+PC4H9O2H 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -C2H6+SC4H9O2 = C2H5+SC4H9O2H 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -PC4H9O2+C2H5CHO = PC4H9O2H+C2H5CO 2.000E+11 0.00 9.500E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -SC4H9O2+C2H5CHO = SC4H9O2H+C2H5CO 2.000E+11 0.00 9.500E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+CH3 = SC4H9O+CH3O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+C2H5 = SC4H9O+C2H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+IC3H7 = SC4H9O+IC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+NC3H7 = SC4H9O+NC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+PC4H9 = SC4H9O+PC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+SC4H9 = SC4H9O+SC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+C3H5-A = SC4H9O+C3H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH2O+HO2 -PC4H9O2+CH2O = PC4H9O2H+HCO 5.600E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HALF OF CH2O+HO2 -PC4H9O2+CH3CHO = PC4H9O2H+CH3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -// TSANG, JPC REF. DATA, 16:471 (1987) -PC4H9O2+HO2 = PC4H9O2H+O2 1.750E+10 0.00 -3.275E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -C3H6+PC4H9O2 = C3H5-A+PC4H9O2H 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -C3H6+SC4H9O2 = C3H5-A+SC4H9O2H 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H4+HO2 -C2H4+PC4H9O2 = C2H3+PC4H9O2H 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H4+HO2 -C2H4+SC4H9O2 = C2H3+SC4H9O2H 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH3OH+HO2 -CH3OH+PC4H9O2 = CH2OH+PC4H9O2H 6.300E+12 0.00 1.936E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH3OH+HO2 -CH3OH+SC4H9O2 = CH2OH+SC4H9O2H 6.300E+12 0.00 1.936E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HALF OF CH2O+HO2 -C2H3CHO+PC4H9O2 = C2H3CO+PC4H9O2H 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HALF OF CH2O+HO2 -C2H3CHO+SC4H9O2 = C2H3CO+SC4H9O2H 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH4+HO2 -CH4+PC4H9O2 = CH3+PC4H9O2H 1.120E+13 0.00 2.464E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH4+HO2 -CH4+SC4H9O2 = CH3+SC4H9O2H 1.120E+13 0.00 2.464E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H71-3+PC4H9O2 = C4H7O+PC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H71-3+SC4H9O2 = C4H7O+SC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO H2O2+CH3O2=HO2+CH3O2H -H2O2+PC4H9O2 = HO2+PC4H9O2H 2.400E+12 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO H2O2+CH3O2=HO2+CH3O2H -H2O2+SC4H9O2 = HO2+SC4H9O2H 2.400E+12 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+PC4H9O2 = O2+PC4H9O+PC4H9O 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+SC4H9O2 = PC4H9O+SC4H9O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+NC3H7O2 = PC4H9O+NC3H7O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+IC3H7O2 = PC4H9O+IC3H7O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+C2H5O2 = PC4H9O+C2H5O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+CH3O2 = PC4H9O+CH3O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+CH3CO3 = PC4H9O+CH3CO2+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+CH3 = PC4H9O+CH3O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+C2H5 = PC4H9O+C2H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+IC3H7 = PC4H9O+IC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+NC3H7 = PC4H9O+NC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+PC4H9 = PC4H9O+PC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+SC4H9 = PC4H9O+SC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+C3H5-A = PC4H9O+C3H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9+HO2 = PC4H9O+OH 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9+HO2 = SC4H9O+OH 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3O2+PC4H9 = CH3O+PC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3O2+SC4H9 = CH3O+SC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2H = PC4H9O+OH 1.500E+16 0.00 4.250E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2H = SC4H9O+OH 9.450E+15 0.00 4.160E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7+CH2O = PC4H9O 5.000E+10 0.00 3.457E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3+C2H5CHO = SC4H9O 5.000E+10 0.00 9.043E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5+CH3CHO = SC4H9O 3.330E+10 0.00 6.397E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2 = C4H8OOH1-2 2.000E+11 0.00 2.685E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2 = C4H8OOH1-3 2.500E+10 0.00 2.085E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2 = C4H8OOH1-4 4.688E+09 0.00 2.235E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2 = C4H8OOH2-1 3.000E+11 0.00 2.940E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2 = C4H8OOH2-3 2.000E+11 0.00 2.685E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2 = C4H8OOH2-4 3.750E+10 0.00 2.440E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2 = C4H8-1+HO2 5.044E+38 -8.11 4.049E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2 = C4H8-1+HO2 5.075E+42 -9.41 4.149E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2 = C4H8-2+HO2 5.044E+38 -8.11 4.049E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8-1+HO2 = C4H8OOH1-2 1.000E+11 0.00 1.100E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8-1+HO2 = C4H8OOH2-1 1.000E+11 0.00 1.175E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8-2+HO2 = C4H8OOH2-3 1.000E+11 0.00 1.175E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-2 = C4H8O1-2+OH 6.000E+11 0.00 2.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-3 = C4H8O1-3+OH 7.500E+10 0.00 1.525E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-4 = C4H8O1-4+OH 9.375E+09 0.00 6.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-1 = C4H8O1-2+OH 6.000E+11 0.00 2.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-3 = C4H8O2-3+OH 6.000E+11 0.00 2.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-4 = C4H8O1-3+OH 7.500E+10 0.00 1.525E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-1 = NC3H7CHO+OH 9.000E+14 0.00 1.500E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-2 = C2H5COCH3+OH 9.000E+14 0.00 1.500E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-3 = OH+CH2O+C3H6 6.635E+13 -0.16 2.990E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-4 = OH+CH3CHO+C2H4 1.945E+18 -1.63 2.679E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-2+O2 = C4H8OOH1-2O2 7.540E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-3+O2 = C4H8OOH1-3O2 7.540E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-4+O2 = C4H8OOH1-4O2 4.520E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-1+O2 = C4H8OOH2-1O2 4.520E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-3+O2 = C4H8OOH2-3O2 7.540E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-4+O2 = C4H8OOH2-4O2 4.520E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-2O2 = NC4KET12+OH 2.000E+11 0.00 2.640E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-3O2 = NC4KET13+OH 2.500E+10 0.00 2.140E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-4O2 = NC4KET14+OH 3.125E+09 0.00 1.935E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-1O2 = NC4KET21+OH 1.000E+11 0.00 2.385E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-3O2 = NC4KET23+OH 1.000E+11 0.00 2.385E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-4O2 = NC4KET24+OH 1.250E+10 0.00 1.785E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC4KET12 = C2H5CHO+HCO+OH 1.050E+16 0.00 4.160E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC4KET13 = CH3CHO+CH2CHO+OH 1.050E+16 0.00 4.160E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC4KET14 = CH2CH2CHO+CH2O+OH 1.500E+16 0.00 4.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC4KET21 = CH2O+C2H5CO+OH 1.500E+16 0.00 4.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC4KET23 = CH3CHO+CH3CO+OH 1.050E+16 0.00 4.160E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC4KET24 = CH2O+CH3COCH2+OH 1.500E+16 0.00 4.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+OH = CH2CH2COCH3+H2O 7.550E+09 0.97 1.586E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+OH = CH3CHCOCH3+H2O 8.450E+11 0.00 -2.280E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+OH = C2H5COCH2+H2O 5.100E+11 0.00 1.192E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+HO2 = CH2CH2COCH3+H2O2 2.380E+04 2.55 1.649E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+HO2 = CH3CHCOCH3+H2O2 2.000E+11 0.00 8.698E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+HO2 = C2H5COCH2+H2O2 2.380E+04 2.55 1.469E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+O = CH2CH2COCH3+OH 2.250E+13 0.00 7.700E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+O = CH3CHCOCH3+OH 3.070E+13 0.00 3.400E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+O = C2H5COCH2+OH 5.000E+12 0.00 5.962E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+H = CH2CH2COCH3+H2 9.160E+06 2.00 7.700E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+H = CH3CHCOCH3+H2 4.460E+06 2.00 3.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+H = C2H5COCH2+H2 9.300E+12 0.00 6.357E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+O2 = CH2CH2COCH3+HO2 2.050E+13 0.00 5.131E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+O2 = CH3CHCOCH3+HO2 1.550E+13 0.00 4.197E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+O2 = C2H5COCH2+HO2 2.050E+13 0.00 4.915E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+CH3 = CH2CH2COCH3+CH4 3.190E+01 3.17 7.172E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+CH3 = CH3CHCOCH3+CH4 1.740E+00 3.46 3.680E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+CH3 = C2H5COCH2+CH4 1.620E+11 0.00 9.630E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+CH3O = CH2CH2COCH3+CH3OH 2.170E+11 0.00 6.460E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+CH3O = CH3CHCOCH3+CH3OH 1.450E+11 0.00 2.771E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+CH3O = C2H5COCH2+CH3OH 2.170E+11 0.00 4.660E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+CH3O2 = CH2CH2COCH3+CH3O2H 3.010E+12 0.00 1.938E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+CH3O2 = CH3CHCOCH3+CH3O2H 2.000E+12 0.00 1.525E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+CH3O2 = C2H5COCH2+CH3O2H 3.010E+12 0.00 1.758E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+C2H3 = CH2CH2COCH3+C2H4 5.000E+11 0.00 1.040E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+C2H3 = CH3CHCOCH3+C2H4 3.000E+11 0.00 3.400E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+C2H3 = C2H5COCH2+C2H4 6.150E+10 0.00 4.278E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+C2H5 = CH2CH2COCH3+C2H6 5.000E+10 0.00 1.340E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+C2H5 = CH3CHCOCH3+C2H6 3.000E+10 0.00 8.600E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+C2H5 = C2H5COCH2+C2H6 5.000E+10 0.00 1.160E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3CHCOCH3+O2 = CH3CHOOCOCH3 1.000E+11 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3CHOOCOCH3 = CH2CHOOHCOCH3 8.900E+12 0.00 2.970E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H3COCH3+HO2 = CH2CHOOHCOCH3 7.000E+10 0.00 7.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2CH2CHO = C2H4+HCO 3.127E+13 -0.52 2.459E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2CH2COCH3 = C2H4+CH3CO 1.000E+14 0.00 1.800E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH2 = CH2CO+C2H5 1.000E+14 0.00 3.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH IC3H6CHO + X --> PRODUCTS -C2H3COCH3+H = CH3CHCOCH3 5.000E+12 0.00 1.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH IC3H6CHO + X --> PRODUCTS -CH3CHCO+CH3 = CH3CHCOCH3 1.230E+11 0.00 7.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -NC3H7CHO+O2 = NC3H7CO+HO2 1.200E+05 2.50 3.756E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -NC3H7CHO+OH = NC3H7CO+H2O 2.000E+06 1.80 -1.300E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -NC3H7CHO+H = NC3H7CO+H2 4.140E+09 1.12 2.320E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -NC3H7CHO+O = NC3H7CO+OH 5.940E+12 0.00 1.868E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HALF OF CH2O+HO2 -NC3H7CHO+HO2 = NC3H7CO+H2O2 4.090E+04 2.50 1.020E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -NC3H7CHO+CH3 = NC3H7CO+CH4 2.890E-03 4.62 3.210E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -NC3H7CHO+CH3O = NC3H7CO+CH3OH 1.000E+12 0.00 3.300E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -NC3H7CHO+CH3O2 = NC3H7CO+CH3O2H 4.090E+04 2.50 1.020E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -NC3H7CHO+OH = C3H6CHO-1+H2O 5.280E+09 0.97 1.586E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -NC3H7CHO+OH = C3H6CHO-2+H2O 4.680E+07 1.61 -3.500E+01 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -NC3H7CHO+OH = C3H6CHO-3+H2O 5.520E+02 3.12 -1.176E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -NC3H7CHO+HO2 = C3H6CHO-1+H2O2 2.379E+04 2.55 1.649E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -NC3H7CHO+HO2 = C3H6CHO-2+H2O2 9.640E+03 2.60 1.391E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -NC3H7CHO+HO2 = C3H6CHO-3+H2O2 3.440E+12 0.05 1.788E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -NC3H7CHO+CH3O2 = C3H6CHO-1+CH3O2H 2.379E+04 2.55 1.649E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -NC3H7CHO+CH3O2 = C3H6CHO-2+CH3O2H 9.640E+03 2.60 1.391E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -NC3H7CHO+CH3O2 = C3H6CHO-3+CH3O2H 3.440E+12 0.05 1.788E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7CO = NC3H7+CO 1.000E+11 0.00 9.600E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6CHO-1 = C2H4+CH2CHO 7.400E+11 0.00 2.197E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H5CHCO+H = C3H6CHO-3 5.000E+12 0.00 1.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H3CHO+CH3 = C3H6CHO-3 1.230E+11 0.00 7.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -SC3H5CHO+H = C3H6CHO-2 5.000E+12 0.00 2.900E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H6+HCO = C3H6CHO-2 1.000E+11 0.00 6.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H5CHCO+OH = NC3H7+CO2 3.730E+12 0.00 -1.010E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H5CHCO+H = NC3H7+CO 4.400E+12 0.00 1.459E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H5CHCO+O = C3H6+CO2 3.200E+12 0.00 -4.370E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -SC3H5CHO+OH = SC3H5CO+H2O 2.690E+10 0.76 -3.400E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -SC3H5CO = C3H5-S+CO 8.600E+15 0.00 2.300E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH IC3H5CHO + X --> IC3H5CO + HX -SC3H5CHO+HO2 = SC3H5CO+H2O2 1.000E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH IC3H5CHO + X --> IC3H5CO + HX -SC3H5CHO+CH3 = SC3H5CO+CH4 3.980E+12 0.00 8.700E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH IC3H5CHO + X --> IC3H5CO + HX -SC3H5CHO+O = SC3H5CO+OH 7.180E+12 0.00 1.389E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH IC3H5CHO + X --> IC3H5CO + HX -SC3H5CHO+O2 = SC3H5CO+HO2 4.000E+13 0.00 3.760E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH IC3H5CHO + X --> IC3H5CO + HX -SC3H5CHO+H = SC3H5CO+H2 2.600E+12 0.00 2.600E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H3COCH3+OH = CH3CHO+CH3CO 1.000E+11 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H3COCH3+OH = CH2CO+C2H3+H2O 5.100E+11 0.00 1.192E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H3COCH3+HO2 = CH2CHO+CH3CO+OH 6.030E+09 0.00 7.949E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H3COCH3+HO2 = CH2CO+C2H3+H2O2 8.500E+12 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H3COCH3+CH3O2 = CH2CHO+CH3CO+CH3O 3.970E+11 0.00 1.705E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H3COCH3+CH3O2 = CH2CO+C2H3+CH3O2H 3.010E+12 0.00 1.758E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//OEHLSCHLAEGER ET AL. -//J. PHYS. CHEM. A 2004, 108:4247-4253 -IC4H10 = TC4H9+H 2.510E+98 -23.81 1.453E+05 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//OEHLSCHLAEGER ET AL. -//J. PHYS. CHEM. A 2004, 108:4247-4253 -IC4H10 = IC4H9+H 9.850E+95 -23.11 1.476E+05 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG 90 -//CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 4. ISOBUTANE -//J. PHYS. CHEM. REF. DATA 19, 1-68 (1990) -IC4H10+H = TC4H9+H2 1.810E+06 2.54 6.756E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG 90 -//CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 4. ISOBUTANE -//J. PHYS. CHEM. REF. DATA 19, 1-68 (1990) -IC4H10+H = IC4H9+H2 6.020E+05 2.40 2.583E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG 90 -//CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 4. ISOBUTANE -//J. PHYS. CHEM. REF. DATA 19, 1-68 (1990) -IC4H10+CH3 = TC4H9+CH4 1.360E+00 3.65 7.154E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG 90 -//CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 4. ISOBUTANE -//J. PHYS. CHEM. REF. DATA 19, 1-68 (1990) -IC4H10+CH3 = IC4H9+CH4 9.040E-01 3.46 4.598E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TULLY, F.P., GOLDSMITH, J.E.M., AND DROEGE, A.T., -//J. PHYS. CHEM., 90, 5932 (1986) -IC4H10+OH = TC4H9+H2O 5.730E+10 0.51 6.300E+01 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TULLY, F.P., GOLDSMITH, J.E.M., AND DROEGE, A.T., -//J. PHYS. CHEM., 90, 5932 (1986) -IC4H10+OH = IC4H9+H2O 2.290E+08 1.53 7.760E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA AND SHAW ANALOG. -IC4H10+C2H5 = IC4H9+C2H6 1.510E+12 0.00 1.040E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM ISOBUTYL RATE -IC4H10+C2H5 = TC4H9+C2H6 1.000E+11 0.00 7.900E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.5) -IC4H10+HO2 = IC4H9+H2O2 1.215E+05 2.50 1.669E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.5) -IC4H10+HO2 = TC4H9+H2O2 1.500E+04 2.50 1.226E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FIT TO TSANG 90 AND COHEN DATA -//ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -IC4H10+O = TC4H9+OH 1.968E+05 2.40 1.150E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FIT TO TSANG 90 AND COHEN DATA -//ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -IC4H10+O = IC4H9+OH 4.046E+07 2.03 5.136E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H8+CH3O -IC4H10+CH3O = IC4H9+CH3OH 4.800E+11 0.00 7.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H10+CH3O = TC4H9+CH3OH 1.900E+10 0.00 2.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H10+O2 = IC4H9+HO2 1.800E+14 0.00 4.600E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H10+O2 = TC4H9+HO2 2.040E+13 0.00 4.135E+04 0.0 0.0 0.0 - -IC4H10+CH3O2 = IC4H9+CH3O2H 1.215E+05 2.50 1.669E+04 0.0 0.0 0.0 -//REV/ 1.248E+05 1.99 1.435E+03 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.5) -IC4H10+C2H5O2 = IC4H9+C2H5O2H 2.550E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -IC4H10+CH3CO3 = IC4H9+CH3CO3H 2.550E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -IC4H10+NC3H7O2 = IC4H9+NC3H7O2H 2.550E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -IC4H10+IC3H7O2 = IC4H9+IC3H7O2H 2.550E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -IC4H10+IC4H9O2 = IC4H9+IC4H9O2H 2.550E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -IC4H10+TC4H9O2 = IC4H9+TC4H9O2H 2.550E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H10+O2CHO = IC4H9+HO2CHO 2.520E+13 0.00 2.044E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H10+O2CHO = TC4H9+HO2CHO 2.800E+12 0.00 1.601E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H10+SC4H9O2 = IC4H9+SC4H9O2H 2.250E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -IC4H10+SC4H9O2 = TC4H9+SC4H9O2H 2.800E+12 0.00 1.600E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H10+PC4H9O2 = IC4H9+PC4H9O2H 2.250E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -IC4H10+PC4H9O2 = TC4H9+PC4H9O2H 2.800E+12 0.00 1.600E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 -IC4H10+CH3O2 = TC4H9+CH3O2H 1.500E+04 2.50 1.226E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -IC4H10+C2H5O2 = TC4H9+C2H5O2H 2.800E+12 0.00 1.600E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -IC4H10+CH3CO3 = TC4H9+CH3CO3H 2.800E+12 0.00 1.600E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -IC4H10+NC3H7O2 = TC4H9+NC3H7O2H 2.800E+12 0.00 1.600E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -IC4H10+IC3H7O2 = TC4H9+IC3H7O2H 2.800E+12 0.00 1.600E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -IC4H10+IC4H9O2 = TC4H9+IC4H9O2H 2.800E+12 0.00 1.600E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -IC4H10+TC4H9O2 = TC4H9+TC4H9O2H 2.800E+12 0.00 1.600E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK AND PITZ ESTIMATE (1983) -IC4H10+IC4H9 = TC4H9+IC4H10 2.500E+10 0.00 7.900E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9+HO2 = IC4H9O+OH 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9+HO2 = TC4H9O+OH 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3O2+IC4H9 = CH3O+IC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3O2+TC4H9 = CH3O+TC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9 = IC4H8+H 4.980E+32 -6.23 4.007E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9 = C3H6+CH3 1.640E+37 -7.40 3.867E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9 = H+IC4H8 4.650E+46 -9.83 5.508E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -TC4H9+O2 = IC4H8+HO2 2.000E-18 0.00 5.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -IC4H9+O2 = IC4H8+HO2 2.000E-18 0.00 5.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+IC4H9 = NC3H7O+IC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+TC4H9 = NC3H7O+TC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+IC4H7 = NC3H7O+IC4H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+IC4H9 = SC4H9O+IC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+TC4H9 = SC4H9O+TC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+IC4H9 = PC4H9O+IC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+TC4H9 = PC4H9O+TC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+IC4H7 = PC4H9O+IC4H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+IC4H7 = SC4H9O+IC4H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9+O2 = IC4H9O2 2.260E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9+O2 = TC4H9O2 1.410E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -IC4H9O2+C4H10 = IC4H9O2H+SC4H9 1.120E+13 0.00 1.770E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -TC4H9O2+C4H10 = TC4H9O2H+SC4H9 1.120E+13 0.00 1.770E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+C4H10 = IC4H9O2H+PC4H9 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+C4H10 = TC4H9O2H+PC4H9 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+IC4H9 = IC3H7O+IC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+TC4H9 = IC3H7O+TC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+IC4H7 = IC3H7O+IC4H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -IC4H9O2+C3H6 = IC4H9O2H+C3H5-A 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -TC4H9O2+C3H6 = TC4H9O2H+C3H5-A 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+IC4H8 = IC4H9O2H+IC4H7 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+IC4H8 = TC4H9O2H+IC4H7 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -PC4H9O2+IC4H8 = PC4H9O2H+IC4H7 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -SC4H9O2+IC4H8 = SC4H9O2H+IC4H7 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC3H7O2+IC4H8 = IC3H7O2H+IC4H7 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -NC3H7O2+IC4H8 = NC3H7O2H+IC4H7 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+C4H8-1 = IC4H9O2H+C4H71-3 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+C4H8-1 = TC4H9O2H+C4H71-3 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+C4H8-2 = IC4H9O2H+C4H71-3 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+C4H8-2 = TC4H9O2H+C4H71-3 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -CC4H8O+OH = CH2O+C3H5-A+H2O 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -CC4H8O+H = CH2O+C3H5-A+H2 3.510E+07 2.00 5.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -CC4H8O+O = CH2O+C3H5-A+OH 1.124E+14 0.00 5.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -CC4H8O+HO2 = CH2O+C3H5-A+H2O2 1.000E+13 0.00 1.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -CC4H8O+CH3O2 = CH2O+C3H5-A+CH3O2H 1.000E+13 0.00 1.900E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -CC4H8O+CH3 = CH2O+C3H5-A+CH4 2.000E+11 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H4+HO2=C2H4O+OH. -//25 PERCENT OF BALDWIN ET AL (1986) RATE -C2H4+TC4H9O2 = C2H3+TC4H9O2H 7.000E+11 0.00 1.711E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+CH4 = TC4H9O2H+CH3 1.130E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -H2+TC4H9O2 = H+TC4H9O2H 3.010E+13 0.00 2.603E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+C2H6 = TC4H9O2H+C2H5 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+C3H8 = TC4H9O2H+IC3H7 2.000E+12 0.00 1.700E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+C3H8 = TC4H9O2H+NC3H7 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+CH3OH = TC4H9O2H+CH2OH 6.300E+12 0.00 1.936E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+C2H5OH = TC4H9O2H+PC2H4OH 6.300E+12 0.00 1.936E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+C2H5OH = TC4H9O2H+SC2H4OH 4.200E+12 0.00 1.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 156: 451 461 (2008) -//HALF OF CH2O+HO2 -IC4H9O2+CH3CHO = IC4H9O2H+CH3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 156: 451 461 (2008) -//HALF OF CH2O+HO2 -TC4H9O2+CH3CHO = TC4H9O2H+CH3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 156: 451 461 (2008) -//HALF OF CH2O+HO2 -IC4H9O2+C2H3CHO = IC4H9O2H+C2H3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 156: 451 461 (2008) -//HALF OF CH2O+HO2 -TC4H9O2+C2H3CHO = TC4H9O2H+C2H3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 156: 451 461 (2008) -//HALF OF CH2O+HO2 -IC4H9O2+C2H5CHO = IC4H9O2H+C2H5CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 156: 451 461 (2008) -//HALF OF CH2O+HO2 -TC4H9O2+C2H5CHO = TC4H9O2H+C2H5CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 156: 451 461 (2008) -IC4H9O2+HO2 = IC4H9O2H+O2 1.750E+10 0.00 -3.275E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 156: 451 461 (2008) -TC4H9O2+HO2 = TC4H9O2H+O2 1.750E+10 0.00 -3.275E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 156: 451 461 (2008) -IC4H9O2+H2O2 = IC4H9O2H+HO2 2.400E+12 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 156: 451 461 (2008) -TC4H9O2+H2O2 = TC4H9O2H+HO2 2.400E+12 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+CH2O = IC4H9O2H+HCO 1.300E+11 0.00 9.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+CH2O = TC4H9O2H+HCO 1.300E+11 0.00 9.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+CH3O2 = IC4H9O+CH3O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+CH3O2 = TC4H9O+CH3O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+C2H5O2 = IC4H9O+C2H5O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+C2H5O2 = TC4H9O+C2H5O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+CH3CO3 = IC4H9O+CH3CO2+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+CH3CO3 = TC4H9O+CH3CO2+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+IC4H9O2 = O2+IC4H9O+IC4H9O 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+TC4H9O2 = IC4H9O+TC4H9O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+TC4H9O2 = O2+TC4H9O+TC4H9O 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+PC4H9O2 = IC4H9O+PC4H9O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+PC4H9O2 = TC4H9O+PC4H9O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+SC4H9O2 = IC4H9O+SC4H9O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+SC4H9O2 = TC4H9O+SC4H9O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+NC3H7O2 = IC4H9O+NC3H7O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+NC3H7O2 = TC4H9O+NC3H7O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+IC3H7O2 = IC4H9O+IC3H7O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+IC3H7O2 = TC4H9O+IC3H7O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+HO2 = IC4H9O+OH+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+HO2 = TC4H9O+OH+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+CH3 = IC4H9O+CH3O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+C2H5 = IC4H9O+C2H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+IC3H7 = IC4H9O+IC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+NC3H7 = IC4H9O+NC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+PC4H9 = IC4H9O+PC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+SC4H9 = IC4H9O+SC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+IC4H9 = IC4H9O+IC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+TC4H9 = IC4H9O+TC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+C3H5-A = IC4H9O+C3H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+C4H71-3 = IC4H9O+C4H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+IC4H7 = IC4H9O+IC4H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+CH3 = TC4H9O+CH3O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+C2H5 = TC4H9O+C2H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+IC3H7 = TC4H9O+IC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+NC3H7 = TC4H9O+NC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+PC4H9 = TC4H9O+PC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+SC4H9 = TC4H9O+SC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+IC4H9 = TC4H9O+IC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+TC4H9 = TC4H9O+TC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+C3H5-A = TC4H9O+C3H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+C4H71-3 = TC4H9O+C4H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+IC4H7 = TC4H9O+IC4H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+C2H4 = IC4H9O2H+C2H3 2.000E+11 0.00 6.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+CH4 = IC4H9O2H+CH3 1.130E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -H2+IC4H9O2 = H+IC4H9O2H 3.010E+13 0.00 2.603E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+C2H6 = IC4H9O2H+C2H5 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+C3H8 = IC4H9O2H+IC3H7 2.000E+12 0.00 1.700E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+C3H8 = IC4H9O2H+NC3H7 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+CH3OH = IC4H9O2H+CH2OH 6.300E+12 0.00 1.936E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+C2H5OH = IC4H9O2H+PC2H4OH 6.300E+12 0.00 1.936E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+C2H5OH = IC4H9O2H+SC2H4OH 4.200E+12 0.00 1.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2H = IC4H9O+OH 1.500E+16 0.00 4.250E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2H = TC4H9O+OH 5.950E+15 0.00 4.254E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY CH3O + X --> CH2O + HX TSANG/HAMPSON 86 -IC4H9O+HO2 = IC3H7CHO+H2O2 1.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY CH3O + X --> CH2O + HX TSANG/HAMPSON 86 -IC4H9O+OH = IC3H7CHO+H2O 1.810E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY CH3O + X --> CH2O + HX TSANG/HAMPSON 86 -IC4H9O+CH3 = IC3H7CHO+CH4 2.400E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY CH3O + X --> CH2O + HX TSANG/HAMPSON 86 -IC4H9O+O = IC3H7CHO+OH 6.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY CH3O + X --> CH2O + HX TSANG/HAMPSON 86 -IC4H9O+H = IC3H7CHO+H2 1.990E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O = IC3H7CHO+H 4.000E+14 0.00 2.150E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O = CH2O+IC3H7 2.000E+14 0.00 1.750E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH3+CH3 = TC4H9O 1.500E+11 0.00 1.190E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ZABARNICK, S. AND HEICKLEN, J., IJCK, 17, 503 (1985). -IC4H9O+O2 = IC3H7CHO+HO2 1.930E+11 0.00 1.660E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -TC4H9O+O2 = IC4H8O+HO2 8.100E+11 0.00 4.700E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O = IC3H7CHO 4.180E+13 0.00 5.272E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O+OH = IC3H6CHO+H2O 1.250E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O+H = IC3H6CHO+H2 1.250E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O+HO2 = IC3H6CHO+H2O2 2.500E+12 0.00 1.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O+CH3O2 = IC3H6CHO+CH3O2H 2.500E+12 0.00 1.900E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O+CH3 = IC3H6CHO+CH4 5.000E+10 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O+O = IC3H6CHO+OH 1.250E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC3H6CHO+H = IC3H7CHO 2.000E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -IC3H7+HCO = IC3H7CHO 1.810E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7CHO+HO2 = IC3H7CO+H2O2 3.000E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BALDWIN, R.R.; WALKER, R.W. -//SYMP. INTL. CPMB. PROC. 1979, 17, 525. -IC3H7CHO+HO2 = TC3H6CHO+H2O2 8.000E+10 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BIRRELL, R.N.; TROTMAN-DICKENSON, A.F. -//J. CHEM. SOC. 1960, 2059 -IC3H7CHO+CH3 = IC3H7CO+CH4 3.980E+12 0.00 8.700E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//SINGLETON, D.L. ET AL. CAN. J. CHEM. 1977, 55, 3321. -IC3H7CHO+O = IC3H7CO+OH 7.180E+12 0.00 1.389E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BALDWIN, R.R. ET AL. -//J. CHEM. SOC. FAR. TRANS. 1979, 75, 1433 -IC3H7CHO+O2 = IC3H7CO+HO2 4.000E+13 0.00 3.760E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//SEMMES ET AL. INTL. J. CHEM. KINET. 1985, 17, 303. -IC3H7CHO+OH = IC3H7CO+H2O 2.690E+10 0.76 -3.400E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//SEMMES ET AL. INTL. J. CHEM. KINET. 1985, 17, 303. -IC3H7CHO+OH = TC3H6CHO+H2O 1.684E+12 0.00 -7.810E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -IC3H7CHO+H = IC3H7CO+H2 2.600E+12 0.00 2.600E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -IC3H7CHO+OH = IC3H6CHO+H2O 3.120E+06 2.00 -2.980E+02 0.0 0.0 0.0 -//REV/ 6.388E+05 1.99 1.913E+04 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -IC3H7CHO+HO2 = IC3H6CHO+H2O2 2.740E+04 2.55 1.550E+04 0.0 0.0 0.0 -//REV/ 3.330E+04 2.21 3.468E+03 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -IC3H7CHO+CH3O2 = IC3H6CHO+CH3O2H 4.760E+04 2.55 1.649E+04 0.0 0.0 0.0 -//REV/ 2.377E+05 2.04 3.742E+03 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//NAROZNIK, M; NIEDZIELSKI, J. J. PHOTOCHEM. 1986, 32, 281 -IC3H7+CO = IC3H7CO 1.500E+11 0.00 4.810E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H6+HCO = IC3H6CHO 1.000E+11 0.00 7.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H3CHO+CH3 = IC3H6CHO 1.000E+11 0.00 7.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8+OH = IC4H8OH 9.930E+11 0.00 -9.600E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8OH+O2 = IO2C4H8OH 1.200E+11 0.00 -1.100E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IO2C4H8OH = CH3COCH3+CH2O+OH 1.250E+10 0.00 1.890E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2 = IC4H8O2H-I 7.500E+10 0.00 2.440E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2 = TC4H8O2H-I 9.000E+11 0.00 2.940E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2 = IC4H8O2H-T 1.000E+11 0.00 2.410E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2 = IC4H8+HO2 4.530E+35 -7.22 3.949E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2 = IC4H8+HO2 1.523E+43 -9.41 4.149E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O2H-I+O2 = IC4H8OOH-IO2 2.260E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H8O2H-I+O2 = TC4H8OOH-IO2 2.260E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O2H-T+O2 = IC4H8OOH-TO2 1.410E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8OOH-IO2 = IC4KETII+OH 2.500E+10 0.00 2.140E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8OOH-TO2 = IC4KETIT+OH 2.000E+11 0.00 2.640E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4KETII = CH2O+C2H5CO+OH 1.500E+16 0.00 4.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4KETIT = CH3COCH3+HCO+OH 9.500E+15 0.00 4.254E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8+HO2 = TC4H8O2H-I 3.970E+11 0.00 1.262E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8+HO2 = IC4H8O2H-T 3.970E+11 0.00 1.262E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O2H-I = CC4H8O+OH 7.500E+10 0.00 1.525E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O2H-T = IC4H8O+OH 6.000E+11 0.00 2.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H8O2H-I = IC4H8O+OH 6.000E+11 0.00 2.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O2H-I = OH+CH2O+C3H6 8.451E+15 -0.68 2.917E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8 = C3H5-T+CH3 1.920E+66 -14.22 1.281E+05 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8 = IC4H7+H 3.070E+55 -11.49 1.143E+05 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8+H = C3H6+CH3 5.680E+33 -5.72 2.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H8+R TSANG,W. -//CHEMICAL KINETIC DATA BASE FOR HYDROCARBON PYROLYSIS -//IND. ENG. CHEM. 31, 3-8 (1992) -IC4H8+H = IC4H7+H2 3.400E+05 2.50 2.492E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H8+R TSANG,W. -//CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART V. PROPENE -//J. PHYS. CHEM. REF. DATA 20, 221-273 (1991) -IC4H8+O = CH2CO+CH3+CH3 3.330E+07 1.76 7.600E+01 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H8+R TSANG,W. -//CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART V. PROPENE -//J. PHYS. CHEM. REF. DATA 20, 221-273 (1991) -IC4H8+O = IC3H6CO+H+H 1.660E+07 1.76 7.600E+01 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H8+R TSANG,W. -//CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART V. PROPENE -//J. PHYS. CHEM. REF. DATA 20, 221-273 (1991) -IC4H8+O = IC4H7+OH 1.206E+11 0.70 7.633E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8+CH3 = IC4H7+CH4 4.420E+00 3.50 5.675E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8+HO2 = IC4H7+H2O2 1.928E+04 2.60 1.391E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8+O2CHO = IC4H7+HO2CHO 1.928E+04 2.60 1.391E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8+O2 = IC4H7+HO2 6.000E+12 0.00 3.990E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK AND PITZ ESTIMATE (1983) -IC4H8+C3H5-A = IC4H7+C3H6 7.940E+11 0.00 2.050E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK AND PITZ ESTIMATE (1983) -IC4H8+C3H5-S = IC4H7+C3H6 7.940E+11 0.00 2.050E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK AND PITZ ESTIMATE (1983) -IC4H8+C3H5-T = IC4H7+C3H6 7.940E+11 0.00 2.050E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H8+R TSANG,W. (REDUCED BY 20%) -//CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART V. PROPENE -//J. PHYS. CHEM. REF. DATA 20, 221-273 (1991) -IC4H8+OH = IC4H7+H2O 5.200E+06 2.00 -2.980E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H8+R TSANG,W. -//CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART V. PROPENE -//J. PHYS. CHEM. REF. DATA 20, 221-273 (1991) -IC4H8+O = IC3H7+HCO 1.580E+07 1.76 -1.216E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8+CH3O2 = IC4H7+CH3O2H 1.928E+04 2.60 1.391E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BALDWIN, R. R., DEAN, C. E., AND WALKER, R. W., -//JCS FARADAY 2, 82, 1445 (1986) -IC4H8+HO2 = IC4H8O+OH 1.290E+12 0.00 1.334E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7+O2 = IC3H5CHO+OH 2.470E+13 -0.45 2.302E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7+O2 = CH3COCH2+CH2O 7.140E+15 -1.21 2.105E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7+O2 = C3H4-A+CH2O+OH 7.290E+29 -5.71 2.145E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7+O = IC3H5CHO+H 6.030E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7 = C3H4-A+CH3 1.230E+47 -9.74 7.426E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3O2+IC4H7 = CH3O+IC4H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7+HO2 = IC4H7O+OH 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H5-T+CH2O = IC4H7O 1.0E+11 0.0 12600.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7O = IC4H6OH 1.391E+11 0.00 1.560E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7O = IC3H5CHO+H 5.000E+13 0.00 2.910E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H6OH+H2 = IC4H7OH+H 2.160E+04 2.38 1.899E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7OH+O2 = IC4H6OH+HO2 6.000E+13 0.00 3.990E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H6OH+CH2O = IC4H7OH+HCO 6.300E+08 1.90 1.819E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H6OH+IC4H8 = IC4H7OH+IC4H7 4.700E+02 3.30 1.984E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H6OH+H = IC4H7OH 1.000E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H6OH+H2O2 = IC4H7OH+HO2 7.830E+05 2.05 1.358E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H4-A+CH2OH = IC4H6OH 1.0E+11 0.0 9200.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY C2H5O + O2 --> CH3CHO + HO2 -//FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992 -IC4H7O+O2 = IC3H5CHO+HO2 3.000E+10 0.00 1.649E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -//ANALOGY CH3O + X --> CH2O + HX -IC4H7O+HO2 = IC3H5CHO+H2O2 3.000E+11 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -//ANALOGY CH3O + X --> CH2O + HX -IC4H7O+CH3 = IC3H5CHO+CH4 2.400E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -//ANALOGY CH3O + X --> CH2O + HX -IC4H7O+O = IC3H5CHO+OH 6.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -//ANALOGY CH3O + X --> CH2O + HX -IC4H7O+OH = IC3H5CHO+H2O 1.810E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -//ANALOGY CH3O + X --> CH2O + HX -IC4H7O+H = IC3H5CHO+H2 1.990E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -IC3H5CHO+OH = IC3H5CO+H2O 2.690E+10 0.76 -3.400E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H5CHO+HO2 = IC3H5CO+H2O2 1.000E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H5CHO+CH3 = IC3H5CO+CH4 3.980E+12 0.00 8.700E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H5CHO+O = IC3H5CO+OH 7.180E+12 0.00 1.389E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H5CHO+O2 = IC3H5CO+HO2 2.000E+13 0.00 4.070E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H5CHO+H = IC3H5CO+H2 2.600E+12 0.00 2.600E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H5-T+CO = IC3H5CO 1.510E+11 0.00 4.809E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC3H6CHO+HO2 = TC3H6OCHO+OH 9.640E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN AND GAFFURI, 1995. -TC3H6OCHO = CH3COCH3+HCO 3.980E+13 0.00 9.700E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH C3H6 + H --> IC3H7 X 2. -//TSANG, W., IND. ENG. CHEM. 1992, 31, 3--8 -IC3H5CHO+H = TC3H6CHO 1.300E+13 0.00 1.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H6CO+H = TC3H6CHO 1.300E+13 0.00 4.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH C3H5-A + X --> PRODUCTS. LITERATURE VALUES -TC3H6CHO+H2 = IC3H7CHO+H 2.160E+05 2.38 1.899E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -IC4H7O+OH = IC4H7OOH 1.000E+11 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -IC4H7O+H = IC4H7OH 4.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7OH+H = IC4H8OH 1.000E+13 0.00 1.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH HCO + H2 --> CH2O + H -//(TSANG/HAMPSON 86) X 5 -IC4H7O+H2 = IC4H7OH+H 9.050E+06 2.00 1.783E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7+OH = IC4H7OH 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -IC4H7OH+HCO = IC4H7O+CH2O 3.020E+11 0.00 1.816E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH C3H5-A + X --> PRODUCTS. LITERATURE VALUES -TC3H6CHO+CH2O = IC3H7CHO+HCO 2.520E+08 1.90 1.819E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH C3H5-A + X --> PRODUCTS. LITERATURE VALUES -TC3H6CHO+IC4H8 = IC3H7CHO+IC4H7 4.700E+02 3.30 1.984E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO 1C4H8+OH -IC3H6CO+OH = IC3H7+CO2 1.730E+12 0.00 -1.010E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -TC3H6CHO+OH = TC3H6OHCHO 5.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -TC3H6OH+HCO = TC3H6OHCHO 1.810E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH CH3CHOH --> CH3CHO + H. -//NATARAJAN & BHASKARAN SYMP. INTL. SHOCK 13 -CH3COCH3+H = TC3H6OH 1.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH C3H6 + H --> IC3H7 X 2. -//TSANG, W., IND. ENG. CHEM. 1992, 31, 3--8 -IC3H5OH+H = TC3H6OH 1.300E+13 0.00 1.560E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H5-T+OH = IC3H5OH 5.0E+13 0.0 0.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC3H6CHO+O2 = TC3H6O2CHO 1.990E+17 -2.10 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC3H6O2CHO = IC3H5O2HCHO 6.000E+11 0.00 2.988E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC3H6O2CHO = TC3H6O2HCO 1.000E+11 0.00 2.575E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//REVERSE ANALOGY IC4H8 + CH3 --> NEOC5H11. -//SLAGLE ET AL. J. PHYS. CHEM. 1991, 95 -IC3H5CHO+HO2 = IC3H5O2HCHO 2.230E+11 0.00 1.060E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC3H6O2HCO = CH3COCH3+CO+OH 4.244E+18 -1.43 4.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//MIYOSHI, A; MATSUI, H; WASHIDA, N.; -//J. PHYS. CHEM. 1990, 94, 3016 -TC3H6OH+O2 = CH3COCH3+HO2 2.230E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -IC3H6CO+OH = TC3H6OH+CO 2.000E+12 0.00 -1.010E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -TC3H6CHO+O2 = IC3H5CHO+HO2 2.725E-19 0.00 7.240E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -TC3H6CHO+O2 = CH3COCH3+CO+OH 3.620E-20 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//LOHDI, Z.H.; WALKER, R.W.; -//J. CHEM. SOC. FARAD. 1991 87, 2361 (C3H5-A + HO2) (X 0.5) -TC3H6CHO+HO2 = IC3H7CHO+O2 3.675E+12 0.00 1.310E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -TC3H6CHO+CH3 = IC3H5CHO+CH4 3.010E+12 -0.32 -1.310E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H8CHO = IC3H5CHO+CH3 1.000E+13 0.00 2.629E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H8CHO = IC4H8+HCO 8.520E+12 0.00 2.009E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -TC4H8CHO+O2 = O2C4H8CHO 2.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -O2C4H8CHO = O2HC4H8CO 2.160E+11 0.00 1.536E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O2H-T+CO = O2HC4H8CO 1.500E+11 0.00 4.809E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -IC4H7O+IC4H8 = IC4H7OH+IC4H7 2.700E+11 0.00 4.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H6OH+HO2 = CH2CCH2OH+CH2O+OH 1.446E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -IC4H8+CH2CCH2OH = IC4H7+C3H5OH 7.940E+11 0.00 2.050E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH2CCH2OH+H2O2 = C3H5OH+HO2 3.010E+09 0.00 2.583E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H5OH+OH = CH2CCH2OH+H2O 5.060E+12 0.00 5.960E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H5OH+H = CH2CCH2OH+H2 3.900E+05 2.50 5.821E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H5OH+O2 = CH2CCH2OH+HO2 4.000E+13 0.00 6.069E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H5OH+CH3 = CH2CCH2OH+CH4 2.400E+11 0.00 8.030E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH2CCH2OH+CH3 = IC4H7OH 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH2CCH2OH+H = C3H5OH 1.000E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH2CCH2OH+O2 = CH2OH+CO+CH2O 4.335E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH2CCH2OH = C2H2+CH2OH 2.163E+40 -8.31 4.511E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H4-A+OH = CH2CCH2OH 8.5E+12 0.0 2000.0 0.0 0.0 0.0 -//////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////// -//METHYL FORMATE SUBMECHANISM, DOOLEY ET AL. IJCK 2009 -//////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////// -H+CH2OCHO = CH3OCHO 1.0E+14 0.0 0.0E+00 0.0 0.0 0.0 -H+CH3OCO = CH3OCHO 1.0E+14 0.0 0.0E+00 0.0 0.0 0.0 -CH3OCHO + H = CH2OCHO + H2 665417.0 2.537 6494.2 0.0 0.0 0.0 -CH3OCHO + OH = CH2OCHO + H2O 8.858E+12 0.054 3340.5 0.0 0.0 0.0 -CH3OCHO + CH3 = CH2OCHO + CH4 2.910E-01 3.700 6823.8 0.0 0.0 0.0 -CH3OCHO + HO2 = CH2OCHO + H2O2 56594.9 2.440 16594.3 0.0 0.0 0.0 -CH3OCHO + CH3O2 = CH2OCHO + CH3O2H 56594.9 2.440 16594.3 0.0 0.0 0.0 -CH3OCHO + CH3O = CH2OCHO + CH3OH 4.59E+09 0.450 4823.6 0.0 0.0 0.0 -CH3OCHO + O = CH2OCHO + OH 884346.9 2.440 4593.2 0.0 0.0 0.0 -CH3OCHO + O2 = CH2OCHO + HO2 1.533E+13 0.0796 51749.8 0.0 0.0 0.0 -CH3OCHO + HCO = CH2OCHO + CH2O 1.025E+05 2.50 1.843E+04 0.0 0.0 0.0 -CH3OCHO + C2H5 = CH2OCHO + C2H6 1.0E+11 0.0 1.040E+04 0.0 0.0 0.0 -CH3OCHO + C2H3 = CH2OCHO + C2H4 1.0E+11 0.0 1.040E+04 0.0 0.0 0.0 -CH3OCHO + OCHO = CH2OCHO + HCOOH 56594.9 2.440 16594.3 0.0 0.0 0.0 -CH3OCHO + H = CH3OCO + H2 257664.5 2.52E+00 5736.8 0.0 0.0 0.0 -CH3OCHO + OH = CH3OCO + H2O 1.22E+16 -9.81E-01 4946.1 0.0 0.0 0.0 -CH3OCHO + CH3 = CH3OCO + CH4 0.09212 3.69E+00 6052.6 0.0 0.0 0.0 -CH3OCHO + CH3O2 = CH3OCO + CH3O2H 156602 2.18E+00 16544.4 0.0 0.0 0.0 -CH3OCHO + HO2 = CH3OCO + H2O2 156602 2.18E+00 16544.4 0.0 0.0 0.0 -CH3OCHO + CH3O = CH3OCO + CH3OH 5.27E+09 8.30E-01 2912.4 0.0 0.0 0.0 -CH3OCHO + O = CH3OCO + OH 245142.0 2.47E+00 4047.8 0.0 0.0 0.0 -CH3OCHO + O2 = CH3OCO + HO2 3.847E+12 1.13E-01 50759.6 0.0 0.0 0.0 -CH3OCHO + HCO = CH3OCO + CH2O 5.400E+06 1.90 1.701E+04 0.0 0.0 0.0 -CH3OCHO + C2H5 = CH3OCO + C2H6 1.0E+11 0.0 1.040E+04 0.0 0.0 0.0 -CH3OCHO + C2H3 = CH3OCO + C2H4 1.0E+11 0.0 1.040E+04 0.0 0.0 0.0 -CH3OCHO + OCHO = CH3OCO + HCOOH 156602 2.180 16544.4 0.0 0.0 0.0 -CH3OCO + CH3OCHO = CH3OCHO + CH2OCHO 1.000E+11 0.00 1.040E+04 0.0 0.0 0.0 -CH3 + CO2 = CH3OCO 4.76E+07 1.54 3.47E+04 0.0 0.0 0.0 -CH3O + CO = CH3OCO 1.55E+06 2.02 5.73E+03 0.0 0.0 0.0 -CH2OCHO = CH3OCO 2.62E11 -0.03 38178 0.0 0.0 0.0 -CH2O + HCO = CH2OCHO 3.89E11 0.0 22000 0.0 0.0 0.0 -OCH2OCHO = HOCH2OCO 1.000E+11 0.00 1.400E+04 0.0 0.0 0.0 -HOCH2OCO = HOCH2O + CO 2.238E+19 -2.02 1.969E+04 0.0 0.0 0.0 -HOCH2OCO = CH2OH + CO2 2.413E+17 -1.57 2.212E+04 0.0 0.0 0.0 -CH2O + OCHO = OCH2OCHO 3.89E11 0.0 2500 0.0 0.0 0.0 -//CH2O+VINYL RAUK ET AL. IMPORTANT: DO NOT DISCARD IN SUBMECHANISM, THIS REACTION IS ALSO DESCRIBED IN DME OXIDATION. -CH3OCO + HCO = CH3OCHO + CO 1E14 0.0 0.0 0.0 0.0 0.0 -CH2OCHO + HCO = CH3OCHO + CO 1E14 0.0 0.0 0.0 0.0 0.0 -CH3OCO + HO2 = CH3OC*OOOH 7E12 0 -1000 0.0 0.0 0.0 -CH2OCHO + HO2 = HO2CH2OCHO 7E12 0 -1000 0.0 0.0 0.0 -CH3OC*OO + OH = CH3OC*OOOH 1.550E+06 2.41 -4.132E+03 0.0 0.0 0.0 -//Reverse of NC3H7O2H = NC3H7O + OH computed from forward expressions of Healy et al, -OCH2OCHO + OH = HO2CH2OCHO 1.550E+06 2.41 -4.132E+03 0.0 0.0 0.0 -//Reverse of NC3H7O2H = NC3H7O + OH computed from forward expressions of Healy et al, -CH2OCHO + CH3O = CH3OC*OO + CH3 7E12 0.0 -1000 0.0 0.0 0.0 -CH3OCO + CH3O = OCH2OCHO + CH3 7E12 0.0 -1000 0.0 0.0 0.0 -CO2 + CH3O = CH3OC*OO 1.00E+11 0.0 9200.0 0.0 0.0 0.0 -CH3OCO + O2 = CH3OC*OOO 4.50E+12 0.0 0.0 0.0 0.0 0.0 -CH2OCHO + O2 = OOCH2OCHO 4.50E+12 0.0 0.0 0.0 0.0 0.0 -OOCH2OCHO = HOOCH2OC*O 2.47E11 0.0 28900 0.0 0.0 0.0 -CH3OC*OOO = CH2OC*OOOH 7.41E11 0.0 28900 0.0 0.0 0.0 -CH2O2H+CO2 = HOOCH2OC*O 2.92E6 1.65 36591 0.0 0.0 0.0 -OCH2O2H+CO = HOOCH2OC*O 1.08E7 1.633 5588 0.0 0.0 0.0 -OH+CH2O = CH2O2H 2.30E+10 0.0 12900 0.0 0.0 0.0 -CH2OC*OOOH => CH2O + CO2 + OH 3.801E+18 -1.47 3.736E+04 0.0 0.0 0.0 -CH2OC*OOOH => CH2O + CO + HO2 3.801E+18 -1.47 3.736E+04 0.0 0.0 0.0 -CH2OC*OOOH => CYOCH2OC*O + OH 7.50E+10 0.0 15250.0 0.0 0.0 0.0 -HOOCH2OC*O => CYOCH2OC*O + OH 7.50E+10 0.0 15250.0 0.0 0.0 0.0 -CH2OC*OOOH + O2 = OOCH2OC*OOOH 4.52E+12 0.0 0.0 0.0 0.0 0.0 -HOOCH2OC*O + O2 = HOOCH2OC*OOO 7.54E+12 0.0 0.0 0.0 0.0 0.0 -HOOCH2OC*OOO = O*CHOC*OOOH + OH 2.89E+10 0.0 21863 0.0 0.0 0.0 -O*CHOC*OOOH => CO2 + OCHO + OH 1.050E+16 0.0 41600.0 0.0 0.0 0.0 -CYOCH2OC*O + H = CHOOCO + H2 4.800E+08 1.5 2005.0 0.0 0.0 0.0 -CYOCH2OC*O + OH = CHOOCO + H2O 2.400E+06 2.0 -1192.2 0.0 0.0 0.0 -CYOCH2OC*O + HO2 = CHOOCO + H2O2 4.000E+12 0.0 12976.7 0.0 0.0 0.0 -OCHO + CO = CHOOCO 1.500E+11 0.0 3000.0 0.0 0.0 0.0 -HCO + CO2 = CHOOCO 1.500E+11 0.0 36730.0 0.0 0.0 0.0 -//CONSIDER ETHYL FORMATE FORAMATION AND CONSUMPTION FROM WESTBROOK -CH3 + CH2OCHO = EF 3.0E13 0.0 0.0 0.0 0.0 0.0 -EF + H = EFP + H2 1.88E+05 2.8 6280.0 0.0 0.0 0.0 -EF + O2 = EFP + HO2 2.00E+13 0.0 47500.0 0.0 0.0 0.0 -EF + O = EFP + OH 1.03E+14 0.0 7850.0 0.0 0.0 0.0 -EF + OH = EFP + H2O 1.05E+10 1.0 1586.0 0.0 0.0 0.0 -EF + HO2 = EFP + H2O2 1.68E+13 0.0 20430.0 0.0 0.0 0.0 -EF + CH3 = EFP + CH4 1.29E+12 0.0 11600.0 0.0 0.0 0.0 -EF + C2H3 = EFP + C2H4 1.00E+11 0.0 10400.0 0.0 0.0 0.0 -EF + C2H5 = EFP + C2H6 1.00E+11 0.0 10400.0 0.0 0.0 0.0 -EF + CH3O = EFP + CH3OH 3.00E+11 0.0 7000.0 0.0 0.0 0.0 -EF + CH3O2 = EFP + CH3O2H 1.70E+13 0.0 20460.0 0.0 0.0 0.0 -EFP = C2H4 + OCHO 1.34E+13 -0.4 24610.0 0.0 0.0 0.0 -EF + O2 = EFS + HO2 4.00E+13 0.0 47500.0 0.0 0.0 0.0 -EF + H = EFS + H2 3.25E+05 2.4 4471.0 0.0 0.0 0.0 -EF + O = EFS + OH 2.81E+13 0.0 5200.0 0.0 0.0 0.0 -EF + OH = EFS + H2O 1.16E+07 1.6 -35.0 0.0 0.0 0.0 -EF + HO2 = EFS + H2O2 5.60E+12 0.0 17700.0 0.0 0.0 0.0 -EF + CH3 = EFS + CH4 3.98E+11 0.0 9500.0 0.0 0.0 0.0 -EF + C2H3 = EFS + C2H4 1.00E+11 0.0 10400.0 0.0 0.0 0.0 -EF + C2H5 = EFS + C2H6 1.00E+11 0.0 10400.0 0.0 0.0 0.0 -EF + CH3O = EFS + CH3OH 3.00E+11 0.0 7000.0 0.0 0.0 0.0 -EF + CH3O2 = EFS + CH3O2H 2.00E+12 0.0 17000.0 0.0 0.0 0.0 -EFS = CH3CHO + HCO 4.17E+15 -0.9 14040.0 0.0 0.0 0.0 -EF + H = EFF + H2 6.50E+05 2.4 4471.0 0.0 0.0 0.0 -EF + O = EFF + OH 5.51E+05 2.5 2830.0 0.0 0.0 0.0 -EF + OH = EFF + H2O 2.33E+07 1.6 -35.0 0.0 0.0 0.0 -EF + CH3 = EFF + CH4 1.51E+00 3.5 5481.0 0.0 0.0 0.0 -EF + HO2 = EFF + H2O2 9.64E+03 2.6 13910.0 0.0 0.0 0.0 -EF + O2 = EFF + HO2 2.00E+13 0.0 49700.0 0.0 0.0 0.0 -EF + CH3O = EFF + CH3OH 5.48E+11 0.0 5000.0 0.0 0.0 0.0 -EF + CH3O2 = EFF + CH3O2H 4.82E+03 2.6 13910.0 0.0 0.0 0.0 -C2H5 + CO2 = EFF 4.76E+07 1.5 37410.0 0.0 0.0 0.0 -C2H5O + CO = EFF 1.55E+06 2.0 5734.0 0.0 0.0 0.0 -EFP + H = EF 1.00E+14 0.0 0.0 0.0 0.0 0.0 -EFS + H = EF 1.00E+14 0.0 0.0 0.0 0.0 0.0 -EFF + H = EF 1.00E+14 0.0 0.0 0.0 0.0 0.0 -OCHO + C2H5 = EF 1.00E+12 0.0 0.0 0.0 0.0 0.0 -HCO + C2H5O = EF 1.00E+12 0.0 0.0 0.0 0.0 0.0 -EF = HCOOH + C2H4 1.60E+13 0.0 50000.0 0.0 0.0 0.0 -//ETHYL PROPANOATE -//CONSIDER METHYL ACETATE FORMATION AND CONSUMPTION FROM WESTBROOK. -ME + H = ME2J + H2 1.50E+05 2.4 2583.0 0.0 0.0 0.0 -ME + O = ME2J + OH 9.50E+04 2.4 1140.0 0.0 0.0 0.0 -ME + OH = ME2J + H2O 1.40E+10 0.5 63.0 0.0 0.0 0.0 -ME + CH3 = ME2J + CH4 1.50E-10 6.4 893.0 0.0 0.0 0.0 -ME + HO2 = ME2J + H2O2 9.00E+02 2.5 10532.0 0.0 0.0 0.0 -ME + O2 = ME2J + HO2 2.50E+12 0.0 48200.0 0.0 0.0 0.0 -ME + CH3O = ME2J + CH3OH 2.30E+10 0.0 2873.0 0.0 0.0 0.0 -ME + CH3O2 = ME2J + CH3O2H 3.61E+03 2.5 10532.0 0.0 0.0 0.0 -CH2CO + CH3O = ME2J 5.00E+11 0.0 -1000.0 0.0 0.0 0.0 -ME + H = MEMJ + H2 9.40E+04 2.8 6280.0 0.0 0.0 0.0 -ME + O = MEMJ + OH 9.80E+05 2.4 4750.0 0.0 0.0 0.0 -ME + OH = MEMJ + H2O 5.25E+09 1.0 1590.0 0.0 0.0 0.0 -ME + CH3 = MEMJ + CH4 4.52E-01 3.6 7154.0 0.0 0.0 0.0 -ME + HO2 = MEMJ + H2O2 4.04E+04 2.5 16690.0 0.0 0.0 0.0 -ME + O2 = MEMJ + HO2 3.00E+13 0.0 52000.0 0.0 0.0 0.0 -ME + CH3O = MEMJ + CH3OH 1.58E+11 0.0 7000.0 0.0 0.0 0.0 -ME + CH3O2 = MEMJ + CH3O2H 2.38E+04 2.5 16490.0 0.0 0.0 0.0 -ME + C2H3 = ME2J + C2H4 1.00E+11 0.0 10400.0 0.0 0.0 0.0 -ME + C2H5 = MEMJ + C2H6 1.00E+11 0.0 10400.0 0.0 0.0 0.0 -ME + C2H3 = MEMJ + C2H4 1.00E+11 0.0 10400.0 0.0 0.0 0.0 -ME + C2H5 = ME2J + C2H6 1.00E+11 0.0 10400.0 0.0 0.0 0.0 -CH2O + CH3CO = MEMJ 5.00E+11 0.0 -1000.0 0.0 0.0 0.0 -CH3 + CH3OCO = ME 1.81E+13 0.0 0.0 0.0 0.0 0.0 -CH3CO + CH3O = ME 3.00E+13 0.0 0.0 0.0 0.0 0.0 -CH3CO2 + CH3 = ME 3.00E+13 0.0 0.0 0.0 0.0 0.0 -ME2J + H = ME 1.00E+14 0.0 0.0 0.0 0.0 0.0 -MEMJ + H = ME 1.00E+14 0.0 0.0 0.0 0.0 0.0 -CH2 + CH2OCHO = EFP 3.00E+13 0.0 0.0 0.0 0.0 0.0 -CH2 + CH3OCO = ME2J 3.00E+13 0.0 0.0 0.0 0.0 0.0 \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_ARHEbathgas/species.txt b/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_ARHEbathgas/species.txt deleted file mode 100644 index 47a43c0ec2..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_ARHEbathgas/species.txt +++ /dev/null @@ -1,1932 +0,0 @@ -// Species for Dryer / Curran Mechanism -// Edited by CFG - -H -1 H 1 - - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -C -1 C 4 - - -CH -1 C 3 - - -CH2(S) -1 C 2S - - -CH2 -1 C 2T - - -CH3 -1 C 1 - - -CH4 -1 C 0 - - -O -1 O 2T - - -OH -1 O 1 - - -H2O -1 O 0 - - -CO -1 C 2T {2,D} -2 O 0 {1,D} - - -HCO -1 C 1 {2,D} -2 O 0 {1,D} - - -CH2O -1 C 0 {2,D} -2 O 0 {1,D} - - - -CH3O -1 C 0 {2,S} -2 O 1 {1,S} - - -CH2OH -1 C 1 {2,S} -2 O 0 {1,S} - - -CH3OH -1 C 0 {2,S} -2 O 0 {1,S} - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - - -HO2 -1 O 1 {2,S} -2 O 0 {1,S} - - -H2O2 -1 O 0 {2,S} -2 O 0 {1,S} - - -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -O2CHO -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 O 1 {3,S} - -HO2CHO -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 O 0 {3,S} - -OCHO -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 1 {1,S} - -OCH2O2H -1 O 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - -HOCH2O2 -1 C 0 {2,S} {3,S} -2 O 0 {1,S} -3 O 0 {1,S} {4,S} -4 O 1 {3,S} - -HOCH2O2H -1 C 0 {2,S} {3,S} -2 O 0 {1,S} -3 O 0 {1,S} {4,S} -4 O 0 {3,S} - -HOCH2O -1 C 0 {2,S} {3,S} -2 O 0 {1,S} -3 O 1 {1,S} - -C2H6 -1 C 0 {2,S} -2 C 0 {1,S} - -CH3O2 -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 1 {2,S} - -CH3O2H -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} - -C2H5 -1 C 1 {2,S} -2 C 0 {1,S} - -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - -HCOOH -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} - -CH2CO -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -C2H2 -1 C 0 {2,T} -2 C 0 {1,T} - -C2H3 -1 C 1 {2,D} -2 C 0 {1,D} - -C2H5O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 1 {2,S} - -C2H5O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 1 {3,S} - -C2H5O2H -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - -CH3CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - - -C2H4O1-2 -1 C 0 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 O 0 {1,S} {2,S} - - -//CH2CHOH -//1 C 0 {2,D} -//2 C 0 {1,D} {3,S} -//3 O 0 {2,S} - - -C2H4O2H -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - -C2H3O1-2 -1 C 1 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 O 0 {1,S} {2,S} - - -CH3CO -1 C 1 {2,D} {3,S} -2 O 0 {1,D} -3 C 0 {1,S} - -CH2CHO -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -CH3CO3 -1 C 0 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 O 0 {2,S} {5,S} -5 O 1 {4,S} - -CH3CO3H -1 C 0 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 O 0 {2,S} {5,S} -5 O 0 {4,S} - -CH3CO2 -1 C 0 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 O 1 {2,S} - -HCCO -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -HCCOH -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 O 0 {2,S} - -C2H -1 C 1 {2,T} -2 C 0 {1,T} - -PC2H4OH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} - - -SC2H4OH -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 O 0 {2,S} - -C2H5OH -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} - -O2C2H4OH -1 O 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} - -CH3COCH3 -1 O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} - -CH3COCH2 -1 O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 1 {2,S} - -CH3COCH2O2 -1 O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 1 {5,S} - - -CH3COCH2O2H -1 O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - -CH3COCH2O -1 O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 1 {4,S} - -C2H3CHO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -C2H3CO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} - -C2H5CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -C2H5CO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} - -CH3OCH3 -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} - -CH3OCH2 -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 1 {2,S} - -CH3OCH2O2 -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} - - -CH3OCH2O2H -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -CH3OCH2O -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 1 {3,S} - -CH3OCHO -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -CH2OCH2O2H -1 C 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -O2CH2OCH2O2H -1 C 0 {2,S} {6,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} -6 O 0 {1,S} {7,S} -7 O 1 {6,S} - -HO2CH2OCHO -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 C 0 {4,S} {6,D} -6 O 0 {5,D} - -OCH2OCHO -1 O 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -HOCH2OCO -1 O 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 1 {3,S} {5,D} -5 O 0 {4,D} - -C3H5-A -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 1 {2,S} - -C3H6 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} - -NC3H7 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} - -IC3H7 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} - -C3H8 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} - -NC3H7O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 1 {3,S} - -IC3H7O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 1 {2,S} - -NC3H7O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} - -IC3H7O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} {5,S} -5 O 1 {4,S} - -NC3H7O2H -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -IC3H7O2H -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} {5,S} -5 O 0 {4,S} - -C3H5-T -1 C 0 {2,S} -2 C 1 {1,S} {3,D} -3 C 0 {2,D} - -C3H5-S -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 1 {2,D} - -C3H6OH -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} - -HOC3H6O2 -1 O 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {5,S} -4 C 0 {3,S} -5 O 0 {3,S} {6,S} -6 O 1 {5,S} - -C3H4-A -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} - -CH3CHCO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,D} -4 O 0 {3,D} - - -C4H8-1 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -C3H4-P -1 C 0 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} - -C3H5O -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 O 1 {3,S} - -C3H3 -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 1 {2,D} - -CC3H4 -1 C 0 {2,S} {3,S} -2 C 0 {1,S} {3,D} -3 C 0 {1,S} {2,D} - -// mechanism is not clear about C3H2 -- CFG -// Mike suggests *CH=C=CH* -C3H2 -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 C 1 {2,D} - -C4H2 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -C4H3-I -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 1 {2,S} {4,D} -4 C 0 {3,D} - -C4H3-N -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,D} -4 C 1 {3,D} - -C4H4 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -C3H6OOH1-3 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -C3H6OOH1-2 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -C3H6OOH2-1 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} {5,S} -5 O 0 {4,S} - -// CFG thinks they mean propene-oxide -C3H6O1-2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} {4,S} -4 O 0 {2,S} {3,S} - - -//CFG thinks they mean oxetane -C3H6O1-3 -1 O 0 {2,S} {3,S} -2 C 0 {1,S} {4,S} -3 C 0 {1,S} {4,S} -4 C 0 {2,S} {3,S} - - -C2H3OOH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - -C3H6OOH1-3O2 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 O 0 {5,S} {7,S} -7 O 1 {6,S} - - -C3H6OOH1-2O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} -6 O 0 {2,S} {7,S} -7 O 1 {6,S} - - -C3H6OOH2-1O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} -6 O 0 {2,S} {7,S} -7 O 0 {6,S} - - -C3KET13 -1 O 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - -C3KET12 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} {6,D} -4 O 0 {2,S} {5,S} -5 O 0 {4,S} -6 O 0 {3,D} - -// MRH believes this species to be the same as "CH3COCH2O2H" -//C3KET21 -//1 C 0 {2,S} -//2 C 0 {1,S} {3,S} {4,D} -//3 C 0 {2,S} {5,S} -//4 O 0 {2,D} -//5 O 0 {3,S} {6,S} -//6 O 0 {5,S} - -C3H51-2,3OOH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} -6 O 0 {2,S} {7,S} -7 O 0 {6,S} - -AC3H5OOH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -C3H52-1,3OOH -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 O 0 {5,S} {7,S} -7 O 0 {6,S} - - - -// CFG thinks they mean allyl-alcohol -C3H5OH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} - -CH2CCH2OH -1 C 0 {2,D} -2 C 1 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} - -CH2OCHO -1 C 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -CH3OCO -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} - -// RMG does not like this: "forbidden by CO3." so removing for now -- RHW -// CH3OC*OO -// 1 C 0 {2,S} -// 2 O 0 {1,S} {3,S} -// 3 C 0 {2,S} {4,D} {5,S} -// 4 O 0 {3,D} -// 5 O 1 {3,S} - -// RMG does not like this: "forbidden by CO3" so removing for now -- RHW -//CH3OC*OOO -//1 C 0 {2,S} -//2 O 0 {1,S} {3,S} -//3 C 0 {2,S} {4,D} {5,S} -//4 O 0 {3,D} -//5 O 0 {3,S} {6,S} -//6 O 1 {5,S} - -// RMG does not like this: "forbidden by CO3" so removing for now -- RHW -//CH3OC*OOOH -//1 C 0 {2,S} -//2 O 0 {1,S} {3,S} -//3 C 0 {2,S} {4,D} {5,S} -//4 O 0 {3,D} -//5 O 0 {3,S} {6,S} -//6 O 0 {5,S} - -// MRH believes this species to be the same as "HO2CH2OCHO" -//HOOCH2OCHO -//1 O 0 {2,D} -//2 C 0 {1,D} {3,S} -//3 O 0 {2,S} {4,S} -//4 C 0 {3,S} {5,S} -//5 O 0 {4,S} {6,S} -//6 O 0 {5,S} - -OOCH2OCHO -1 O 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 1 {5,S} - -HOOCH2OC*O -1 O 0 {2,D} -2 C 1 {1,D} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - -// RMG does not like this: "forbidden by CO3" so removing for now -- RHW -//CH2OC*OOOH -//1 C 1 {2,S} -//2 O 0 {1,S} {3,S} -//3 C 0 {2,S} {4,D} {5,S} -//4 O 0 {3,D} -//5 O 0 {3,S} {6,S} -//6 O 0 {5,S} -// -//CYOCH2OC*O -//1 C 0 {2,S} {4,S} -//2 O 0 {1,S} {3,S} -//3 C 0 {2,S} {4,S} {5,D} -//4 O 0 {1,S} {3,S} -//5 O 0 {3,D} -// -//OOCH2OC*OOOH -//1 O 1 {2,S} -//2 O 0 {1,S} {3,S} -//3 C 0 {2,S} {4,S} -//4 O 0 {3,S} {5,S} -//5 C 0 {4,S} {6,D} {7,S} -//6 O 0 {5,D} -//7 O 0 {5,S} {8,S} -//8 O 0 {7,S} -// -//HOOCH2OC*OOO -//1 O 0 {2,D} -//2 C 0 {1,D} {3,S} {7,S} -//3 O 0 {2,S} {4,S} -//4 C 0 {3,S} {5,S} -//5 O 0 {4,S} {6,S} -//6 O 0 {5,S} -//7 O 0 {2,S} {8,S} -//8 O 1 {7,S} -// -//O*CHOC*OOOH -//1 O 0 {2,D} -//2 C 0 {1,D} {3,S} {6,S} -//3 O 0 {2,S} {4,S} -//4 C 0 {3,S} {5,D} -//5 O 0 {4,D} -//6 O 0 {2,S} {7,S} -//7 O 0 {6,S} - - -CHOOCO -1 O 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} {4,S} -4 C 1 {3,S} {5,D} -5 O 0 {4,D} - -EF -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -EFF -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 1 {3,S} {5,D} -5 O 0 {4,D} - -EFP -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -EFS -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -ME -1 C 0 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 O 0 {2,S} {5,S} -5 C 0 {4,S} - -ME2J -1 C 1 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 O 0 {2,S} {5,S} -5 C 0 {4,S} - -MEMJ -1 C 0 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 O 0 {2,S} {5,S} -5 C 1 {4,S} - -C2H3CHOCH2 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} {5,S} -4 O 0 {3,S} {5,S} -5 C 0 {4,S} {3,S} - -C2H3COCH3 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 C 0 {3,S} - -C2H5CHCO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} {5,D} -5 O 0 {4,D} - -C2H5COCH2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 C 1 {3,S} - -C2H5COCH3 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 C 0 {3,S} - -C3H6CHO-1 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -C3H6CHO-2 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -C3H6CHO-3 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 1 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -C3H6OOH2-2 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} {5,S} -5 O 0 {4,S} - -C4H10 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -C4H4O -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -C4H5-2 -1 C 1 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} {4,S} -4 C 0 {3,S} - -C4H5-I -1 C 0 {2,D} -2 C 1 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - -C4H5-N -1 C 1 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - -C4H6 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - -C4H612 -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} - -C4H6-2 -1 C 0 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} {4,S} -4 C 0 {3,S} - -C4H6O23 -1 O 0 {2,S} {5,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {1,S} - -C4H6O25 -1 O 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} {5,S} -5 C 0 {4,S} {1,S} - -C4H71-1 -1 C 1 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -C4H71-2 -1 C 0 {2,D} -2 C 1 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -C4H71-3 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 1 {2,S} {4,S} -4 C 0 {3,S} - -C4H71-4 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} - -C4H72-2 -1 C 0 {2,S} -2 C 1 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} - -C4H7O -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} {5,S} -4 C 0 {3,S} -5 O 1 {3,S} - -C4H8-2 -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} - -C4H8O1-2 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {1,S} {2,S} - -C4H8O1-3 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {5,S} -4 C 0 {3,S} -5 O 0 {1,S} {3,S} - -C4H8O1-4 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {1,S} {4,S} - -C4H8O2-3 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} {5,S} -4 C 0 {3,S} -5 O 0 {2,S} {3,S} - -C4H8OH-1 -1 C 0 {2,S} {5,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {1,S} - -// C4H8OH-1 could also be -//1 C 1 {2,S} -//2 C 0 {1,S} {3,S} {5,S} -//3 C 0 {2,S} {4,S} -//4 C 0 {3,S} -//5 O 0 {2,S} - -C4H8OH-1O2 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {1,S} -6 O 0 {2,S} {7,S} -7 O 1 {6,S} - -// C4H8OH-1O2 could also be -//1 C 0 {2,S} {6,S} -//2 C 0 {1,S} {3,S} {5,S} -//3 C 0 {2,S} {4,S} -//4 C 0 {3,S} -//5 O 0 {2,S} -//6 O 0 {1,S} {7,S} -//7 O 1 {6,S} - -C4H8OH-2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 1 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {2,S} - -C4H8OH-2O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} {6,S} -4 C 0 {3,S} -5 O 0 {2,S} -6 O 0 {3,S} {7,S} -7 O 1 {6,S} - -C4H8OOH1-1 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 1 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 C 0 {5,S} - -C4H8OOH1-2 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 C 0 {5,S} - -C4H8OOH1-2O2 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} {7,S} -5 C 0 {4,S} {6,S} -6 C 0 {5,S} -7 O 0 {4,S} {8,S} -8 O 1 {7,S} - -C4H8OOH1-3 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 1 {4,S} {6,S} -6 C 0 {5,S} - -C4H8OOH1-3O2 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {6,S} {7,S} -6 C 0 {5,S} -7 O 0 {5,S} {8,S} -8 O 1 {7,S} - -C4H8OOH1-4 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 C 1 {5,S} - -C4H8OOH1-4O2 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 C 0 {5,S} {7,S} -7 O 0 {6,S} {8,S} -8 O 1 {7,S} - -C4H8OOH2-1 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} - -C4H8OOH2-1O2 -1 C 0 {2,S} {7,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} -7 O 0 {1,S} {8,S} -8 O 1 {7,S} - -C4H8OOH2-2 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} - -C4H8OOH2-3 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 1 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} - -C4H8OOH2-3O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} {7,S} -4 C 0 {3,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} -7 O 0 {3,S} {8,S} -8 O 1 {7,S} - -C4H8OOH2-4 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} - -C4H8OOH2-4O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {7,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} -7 O 0 {4,S} {8,S} -8 O 1 {7,S} - -C6H2 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} {5,S} -5 C 0 {4,S} {6,T} -6 C 0 {5,T} - -C6H3 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 1 {2,S} {4,D} -4 C 0 {3,D} {5,S} -5 C 0 {4,S} {6,T} -6 C 0 {5,T} - -CC4H8O -1 O 0 {4,S} {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {5,S} -4 C 0 {3,S} {1,S} -5 C 0 {3,S} - -C-C6H4 -1 C 0 {6,T} {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} {5,D} -5 C 0 {4,D} {6,S} -6 C 0 {5,S} {1,T} - -CH2CH2CHO -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -CH2CH2COCH3 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {5,D} -4 C 0 {3,S} -5 O 0 {3,D} - -CH2CHCHCHO -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -CH2CHOOHCOCH3 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} {5,D} -4 C 0 {3,S} -5 O 0 {3,D} -6 O 0 {2,S} {7,S} -7 O 0 {6,S} - -CH2O2H -1 C 1 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} - -CH2OC*OOOH -1 C 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 O 0 {3,S} {6,S} -6 O 0 {5,S} - -CH3CHCHCHO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -CH3CHCHCO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 1 {3,S} {5,D} -5 O 0 {4,D} - -CH3CHCOCH3 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} {5,D} -4 C 0 {3,S} -5 O 0 {3,D} - -CH3CHOOCOCH3 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} {5,D} -4 C 0 {3,S} -5 O 0 {3,D} -6 O 0 {2,S} {7,S} -7 O 1 {6,S} - -CH3OC*OO -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 O 1 {3,S} - -CH3OC*OOO -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 O 0 {3,S} {6,S} -6 O 1 {5,S} - -CH3OC*OOOH -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 O 0 {3,S} {6,S} -6 O 0 {5,S} - -CYOCH2OC*O -1 O 0 {4,S} {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} {1,S} {5,D} -5 O 0 {4,D} - -// MRH is not 100% certain about the identity of this species -H2C4O -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} {4,D} -4 C 0 {3,D} {5,D} -5 O 0 {4,D} - -H2CC -1 C 0 {2,D} -2 C 2 {1,D} - -HOOCH2OC*OOO -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 C 0 {4,S} {6,D} {7,S} -6 O 0 {5,D} -7 O 0 {5,S} {8,S} -8 O 1 {7,S} - -IC3H5CHO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,D} -5 O 0 {4,D} - -IC3H5CO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 1 {2,S} {5,D} -5 O 0 {4,D} - -IC3H5O2HCHO -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {4,S} {6,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,D} -5 O 0 {4,D} -6 O 0 {2,S} {7,S} -7 O 0 {6,S} - -IC3H5OH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} - -IC3H6CHO -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,D} -5 O 0 {4,D} - -IC3H6CO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,D} -3 C 0 {2,S} -4 C 0 {2,D} {5,D} -5 O 0 {4,D} - -IC3H7CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,D} -5 O 0 {4,D} - -IC3H7CO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 C 1 {2,S} {5,D} -5 O 0 {4,D} - -IC4H10 -1 C 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} - -IC4H6OH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 1 {2,S} -4 C 0 {2,S} {5,S} -5 O 0 {4,S} - -IC4H7 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 1 {2,S} -4 C 0 {2,S} - -IC4H7O -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 1 {4,S} - -IC4H7OH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 0 {4,S} - -IC4H7OOH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - -IC4H8 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} - -// MRH is not 100% certain of this species -IC4H8O -1 O 0 {3,S} {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {1,S} {4,S} {5,S} -4 C 0 {3,S} -5 C 0 {3,S} - -IC4H8O2H-I -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 1 {2,S} -4 C 0 {2,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - -IC4H8O2H-T -1 C 0 {2,S} -2 C 1 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - -IC4H8OH -1 C 0 {2,S} {5,S} -2 C 1 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} -5 O 0 {1,S} - -//IC4H8OH could also be -//1 C 1 {2,S} -//2 C 0 {1,S} {3,S} {4,S} {5,S} -//3 C 0 {2,S} -//4 C 0 {2,S} -//5 O 0 {2,S} - -IC4H8OOH-IO2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} {7,S} -4 C 0 {2,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} -7 O 0 {3,S} {8,S} -8 O 1 {7,S} - -IC4H8OOH-TO2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {7,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} -7 O 0 {2,S} {8,S} -8 O 1 {7,S} - -IC4H9 -1 C 0 {2,S} {3,S} {4,S} -2 C 1 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} - -IC4H9O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 1 {4,S} - -IC4H9O2 -1 C 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 O 0 {2,S} {6,S} -6 O 1 {5,S} - -IC4H9O2H -1 C 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} - -// MRH is not 100% certain of this -// Perhaps the reaction IC4KETII = CH2O+C2H5CO+OH should be ... -// IC4KETII = CH2O+CH3CHCHO+OH (mechanism does not have CH3CHCHO) -// Based on nomenclature of IC4KETIT, MRH is confident -// this species definition is correct, and reaction in mechanism is incorrect. -IC4KETII -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} {5,S} -4 C 0 {2,S} {7,D} -5 O 0 {3,S} {6,S} -6 O 0 {5,S} -7 O 0 {4,D} - -IC4KETIT -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 C 0 {2,S} -4 C 0 {2,S} {7,D} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} -7 O 0 {4,D} - -IO2C4H8OH -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} {4,S} {6,S} -3 C 0 {2,S} -4 C 0 {2,S} -5 O 0 {1,S} -6 O 0 {2,S} {7,S} -7 O 1 {6,S} - -//IO2C4H8OH could also be -//1 C 0 {2,S} {6,S} -//2 C 0 {1,S} {3,S} {4,S} {5,S} -//3 C 0 {2,S} -//4 C 0 {2,S} -//5 O 0 {2,S} -//6 O 0 {1,S} {7,S} -//7 O 1 {6,S} - -L-C6H4 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} {5,S} -5 C 0 {4,S} {6,T} -6 C 0 {5,T} - -NC3H7CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -NC3H7CO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} {5,D} -5 O 0 {4,D} - -NC4KET12 -1 C 0 {2,S} {5,D} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {1,D} -6 O 0 {2,S} {7,S} -7 O 0 {6,S} - -NC4KET13 -1 C 0 {2,S} {5,D} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {6,S} -4 C 0 {3,S} -5 O 0 {1,D} -6 O 0 {3,S} {7,S} -7 O 0 {6,S} - -NC4KET14 -1 C 0 {2,S} {5,D} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {6,S} -5 O 0 {1,D} -6 O 0 {4,S} {7,S} -7 O 0 {6,S} - -NC4KET21 -1 C 0 {2,S} {6,S} -2 C 0 {1,S} {3,S} {5,D} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {2,D} -6 O 0 {1,S} {7,S} -7 O 0 {6,S} - -NC4KET23 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,D} -3 C 0 {2,S} {4,S} {6,S} -4 C 0 {3,S} -5 O 0 {2,D} -6 O 0 {3,S} {7,S} -7 O 0 {6,S} - -NC4KET24 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,D} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {6,S} -5 O 0 {2,D} -6 O 0 {4,S} {7,S} -7 O 0 {6,S} - -O*CHOC*OOOH -1 C 0 {2,S} {3,D} -2 O 0 {1,S} {4,S} -3 O 0 {1,D} -4 C 0 {2,S} {5,D} {6,S} -5 O 0 {4,D} -6 O 0 {4,S} {7,S} -7 O 0 {6,S} - -O2C4H8CHO -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {7,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {1,S} {6,D} -6 O 0 {5,D} -7 O 0 {2,S} {8,S} -8 O 1 {7,S} - -O2HC4H8CO -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {7,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 1 {1,S} {6,D} -6 O 0 {5,D} -7 O 0 {2,S} {8,S} -8 O 0 {7,S} - -OOCH2OC*OOOH -1 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 C 0 {4,S} {6,D} {7,S} -6 O 0 {5,D} -7 O 0 {5,S} {8,S} -8 O 0 {7,S} - -PC4H9 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} - -PC4H9O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 1 {4,S} - -PC4H9O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 1 {5,S} - -PC4H9O2H -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - -SC3H5CHO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -SC3H5CO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} {5,D} -5 O 0 {4,D} - -SC4H9 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -SC4H9O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 1 {2,S} - -SC4H9O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {2,S} {6,S} -6 O 1 {5,S} - -SC4H9O2H -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} - -TC3H6CHO -1 C 0 {2,S} -2 C 1 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,D} -5 O 0 {4,D} - -TC3H6O2CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {6,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,D} -5 O 0 {4,D} -6 O 0 {2,S} {7,S} -7 O 1 {6,S} - -TC3H6O2HCO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {6,S} -3 C 0 {2,S} -4 C 1 {2,S} {5,D} -5 O 0 {4,D} -6 O 0 {2,S} {7,S} -7 O 0 {6,S} - -TC3H6OCHO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {6,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,D} -5 O 0 {4,D} -6 O 1 {2,S} - -TC3H6OH -1 C 0 {2,S} -2 C 1 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} - -TC3H6OHCHO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 C 0 {2,S} -4 O 0 {2,S} -5 C 0 {2,S} {6,D} -6 O 0 {5,D} - -TC4H8CHO -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 1 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {1,S} {6,D} -6 O 0 {5,D} - -TC4H8O2H-I -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 C 0 {2,S} -4 C 1 {2,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} - -TC4H8OOH-IO2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 C 0 {2,S} -4 C 0 {2,S} {7,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} -7 O 0 {4,S} {8,S} -8 O 1 {7,S} - -TC4H9 -1 C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} - -TC4H9O -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 O 1 {1,S} - -TC4H9O2 -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 O 0 {1,S} {6,S} -6 O 1 {5,S} - -TC4H9O2H -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 O 0 {1,S} {6,S} -6 O 0 {5,S} \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_N2bathgas/README.txt b/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_N2bathgas/README.txt deleted file mode 100644 index d66bb1012f..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_N2bathgas/README.txt +++ /dev/null @@ -1,15 +0,0 @@ -// MRH 15-APR-2011 - -1) Copy and pasted entire Dooley et al. mechanism to reactions.txt file -2) By hand, moved pressure-dependent reactions to pdepreactions.txt file -3) Replace "!" with "//" -4) Add " 0.0 0.0 0.0" to end of each high-p limit kinetics -5) Place comments from end of high-p kinetics line to next line -6) Replace "<=>" with " <=> " -7) pdepreactions.txt: - : Change "PRESSURE DEPENDANCE" to PLOG format - : Comment reactions that have "+AR" and "+HE" -8) reactions.txt: Replace "2CH2OH" with "CH2OH+CH2OH" - : Replace "2CH3O" with "CH3O+CH3O" - : Replace "C3KET21" with "CH3COCH2O2H" - : Replace "HOOCH2OCHO" with "HO2CH2OCHO" \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_N2bathgas/pdepreactions.txt b/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_N2bathgas/pdepreactions.txt deleted file mode 100644 index 5724224136..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_N2bathgas/pdepreactions.txt +++ /dev/null @@ -1,637 +0,0 @@ -// MRH - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - -// TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) -H2+M = H+H+M 4.577E+19 -1.40 1.0438E+05 0.0 0.0 0.0 - H2/2.5/ H2O/12/ - CO/1.9/ CO2/3.8/ - AR/0.0/ HE/0.0/ - -// TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) -//H2+AR = H+H+AR 5.840E+18 -1.10 1.0438E+05 0.0 0.0 0.0 -//H2+HE = H+H+HE 5.840E+18 -1.10 1.0438E+05 0.0 0.0 0.0 - -// TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) -O+O+M = O2+M 6.165E+15 -0.50 0.000E+00 0.0 0.0 0.0 - H2/2.5/ H2O/12/ - AR/0.0/ HE/0.0/ - CO/1.9/ CO2/3.8/ - -// TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) -//O+O+AR = O2+AR 1.886E+13 0.00 -1.788E+03 0.0 0.0 0.0 -//O+O+HE = O2+HE 1.886E+13 0.00 -1.788E+03 0.0 0.0 0.0 - -// TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) -O+H+M = OH+M 4.714E+18 -1.00 0.000E+00 0.0 0.0 0.0 - H2/2.5/ H2O/12/ - AR/0.75/ HE/0.75/ - CO/1.9/ CO2/3.8/ - -// TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) -// H+OH+M = H2O+M 2.212E+22 -2.00 0.000E+00 -H+OH+M = H2O+M 3.800E+22 -2.00 0.000E+00 0.0 0.0 0.0 - H2/2.5/ H2O/12/ - AR/0.38/ HE/0.38/ - CO/1.9/ CO2/3.8/ - -//FORMATION AND CONSUMPTION OF HO2 - -// COBOS ET AL., J. PHYS. CHEM. 89:342 (1985) FOR KINF -// MICHAEL, ET AL., J. PHYS. CHEM. A, 106:5297 (2002) FOR K0 - -//================================================================================= -// MAIN BATH GAS IS N2 (COMMENT THIS REACTION OTHERWISE) -// -H+O2(+M) = HO2(+M) 1.475E+12 0.60 0.000E+00 0.0 0.0 0.0 - LOW/6.366E+20 -1.72 5.248E+02/ - TROE/0.8 1E-30 1E+30/ - H2/2.0/ H2O/11./ O2/0.78/ CO/1.9/ CO2/3.8/ - - -//================================================================================= -// MAIN BATH GAS IS AR OR HE (COMMENT THIS REACTION OTHERWISE) -// -//H+O2(+M) = HO2(+M) 1.475E+12 0.60 0.000E+00 -// LOW/9.042E+19 -1.50 4.922E+02/ -// TROE/0.5 1E-30 1E+30/ -// H2/3.0/ H2O/16/ O2/1.1/ CO/2.7/ CO2/5.4/ HE/1.2/ - -// BROUWER ET AL., J. CHEM. PHYS. 86:6171 (1987) FOR KINF -// WARNATZ, J. IN COMBUSTION CHEMISTRY (1984) FOR K0 -H2O2(+M) = OH+OH(+M) 2.951E+14 0.00 4.843E+04 0.0 0.0 0.0 - LOW/1.202E+17 0.00 4.550E+04/ - TROE/0.5 1E-30 1E+30/ - H2/2.5/ H2O/12/ - CO/1.9/ CO2/3.8/ - AR/0.64/ HE/0.64/ - -//WKM CONSTRUCTED BY MCHAOS -// TROE, 15TH SYMPOSIUM -CO+O(+M) = CO2(+M) 1.800E+10 0.00 2.384E+03 0.0 0.0 0.0 -// FIT OF WESTMORELAND, AICHE J., 1986, REL. TO N2 - TIM ADJUSTED FROM MTA'S -// RATE CONSTANT, WHICH WAS REL TO AR. - LOW/1.550E+24 -2.79 4.191E+03/ - H2/2.5/ H2O/12/ AR/0.87/ CO/1.9/ CO2/3.8/ - -// LEAST SQUARES FIT TO AVAILABLE EXPERIMENTAL RESULTS -HCO+M = H+CO+M 4.7485E+11 0.659 1.4874E+04 0.0 0.0 0.0 - H2/2.5/ H2O/6/ CO/1.9/ CO2/3.8/ - -//DIRECTION CHANGE -//OCHO+M = H+CO2+M 5.315E+14 -0.35 1.758E+04 -//REV/ 7.500E+13 0.00 2.900E+04 / -H+CO2+M = OCHO+M 7.500E+13 0.00 2.900E+04 0.0 0.0 0.0 - -// FRIEDRICHS ET AL., IJCK 2004, 36, 157 -CH2O + M = HCO + H + M 3.300E+39 -6.30 9.990E+04 0.0 0.0 0.0 - H2/2.5/ H2O/12.0/ CO/1.9/ CO2/3.8/ AR/0.7/ - -CH2O + M = CO + H2 + M 3.100E+45 -8.00 9.751E+04 0.0 0.0 0.0 - H2/2.5/ H2O/12.0/ CO/1.9/ CO2/3.8/ AR/0.7/ - -// --- USED IN LI ET AL. (IJCK, SUBMITTED) --- -// WALTER ET AL. 23RD SYMP. (INT.) COMBUST. P107 (1990) -// CH3+CH3(+M) = C2H6(+M) 9.214E+16 -1.17 6.358E+02 -// LOW/1.135E+36 -5.246 1.705E+03/ -// TROE/0.405 1120. 69.6 1.E+15/ -// H2/2/ H2O/5/ CO/2/ CO2/3/ - -// WANG ET AL., JPC A 107:11414 (2003) -CH3+CH3(+M) = C2H6(+M) 2.277E+15 -0.69 1.7486E+02 0.0 0.0 0.0 - LOW/8.054E+31 -3.75 9.816E+02/ - TROE/0.0 570.0 0.0 1.E+30/ - H2O/5/ CO/2/ CO2/3/ - -// GRI 1.2 -CH3+H(+M) = CH4(+M) 1.270E+16 -0.630 3.830E+02 0.0 0.0 0.0 - LOW / 2.477E+33 -4.760 2440.00/ - TROE/ 0.7830 74.00 2941.00 6964.00 / - H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN AND PITZ RATE EXPRESSIONS FOR CH3O2 SYSTEM. -CH3+O2(+M) = CH3O2(+M) 1.006E+08 1.63 0.000E+00 0.0 0.0 0.0 -////REV/ 7.282E+13 0.42 3.333E+04 / -LOW / 3.8160E+31 -4.8900E+00 3.4320E+03 / -TROE / 4.5000E-02 8.8010E+02 2.5000E+09 1.7860E+09 / //TROE FALL-OFF REACTION - -// CRIBB ET AL. COMBUST FLAME, 88:186 (1992) -CH2OH+M = CH2O+H+M 1.000E+14 0.00 2.510E+04 0.0 0.0 0.0 - -// PAGE ET AL., JPC, 93:4404 (1989) -CH3O+M = CH2O+H+M 8.300E+17 -1.20 1.550E+04 0.0 0.0 0.0 -//MC LIN - -// GRI-3.0 -OH+CH3(+M) = CH3OH(+M) 2.790E+18 -1.43 1.330E+03 0.0 0.0 0.0 - LOW / 4.000E+36 -5.920 3140.00/ - TROE/ .4120 195.0 5900.00 6394.00/ - H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - -H+CH2OH(+M) = CH3OH(+M) 1.055E+12 0.50 8.600E+01 0.0 0.0 0.0 - LOW / 4.360E+31 -4.650 5080.00/ - TROE/ .600 100.00 90000.0 10000.0 / - H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - -H+CH3O(+M) = CH3OH(+M) 2.430E+12 0.515 5.000E+01 0.0 0.0 0.0 - LOW / 4.660E+41 -7.440 14080.0/ - TROE/ .700 100.00 90000.0 10000.00 / - H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - -// GRI-3.0 -CH2(S)+H2O(+M) = CH3OH(+M) 4.820E+17 -1.16 1.145E+03 0.0 0.0 0.0 - LOW / 1.880E+38 -6.360 5040.00/ - TROE/ .6027 208.00 3922.00 10180.0 / - H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - -// GRI-1.2 -CH2+H(+M) = CH3(+M) 2.500E+16 -0.80 0.000E+00 0.0 0.0 0.0 - LOW / 3.200E+27 -3.140 1230.00/ - TROE/ 0.6800 78.00 1995.00 5590.00 / - H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ - -CH2+CO(+M) = CH2CO(+M) 8.100E+11 0.50 4.510E+03 0.0 0.0 0.0 - LOW / 2.690E+33 -5.110 7095.00/ - TROE/ 0.5907 275.00 1226.00 5185.00 / - H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ - - // N2 ASSUMED = AR -CH2(S)+M = CH2+M 9.000E+12 0.00 6.000E+02 0.0 0.0 0.0 - H2O/0.0/ CO/0.0/ CO2/0.0/ AR/0.0/ - -//CH2(S)+AR = CH2+AR 9.000E+12 0.00 6.000E+02 0.0 0.0 0.0 - -// USED ORIGINALLY IN JUAN LI'S PHD THESIS, UPDATED ABOVE IN THE CH3OH SECTION -// GRI-3.0 -// CH2(S)+H2O(+M) = CH3OH(+M) 2.000E+13 0.00 0.000E+00 -// LOW / 2.700E+38 -6.300 3100.00/ -// TROE/ 0.1507 134.00 2383.00 7265.00 / -// H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ -// - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H5+H(+M) = C2H6(+M) 5.210E+17 -0.99 1.580E+03 0.0 0.0 0.0 -LOW / 1.9900E+41 -7.0800E+00 6.6850E+03 / -TROE / 8.4200E-01 1.2500E+02 2.2190E+03 6.8820E+03 / //TROE FALL-OFF REACTION -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 (X 1.5 (WKM)) -H+C2H4(+M) = C2H5(+M) 8.100E+11 0.454 1820.00 0.0 0.0 0.0 - LOW / 9.000E+41 -7.620 6970.00/ - TROE/ .9753 210.00 984.00 4374.00 / -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -CH3CO(+M) = CH3+CO(+M) 3.000E+12 0.00 1.672E+04 0.0 0.0 0.0 -LOW / 1.2000E+15 0.0000E+00 1.2518E+04 / //LINDEMANN FALL-OFF REACTION - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN -//ANALOGY TO CH3CO=CH3+CO -CH3CO2+M = CH3+CO2+M 4.400E+15 0.00 1.050E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FRANK, P.; BHASKARAN, K.A.; JUST, TH. -//ACETYLENE OXIDATION: THE REACTION C2H2 + O AT HIGH TEMPERATURES -//SYMP. INT. COMBUST. PROC. 21, 885 (1988) -HCCO+M = CH+CO+M 6.500E+15 0.00 5.882E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN LITERATURE SEARCH -C2H3+H(+M) = C2H4(+M) 1.360E+14 0.17 6.600E+02 0.0 0.0 0.0 -LOW / 1.4000E+30 -3.8600E+00 3.3200E+03 / -TROE / 7.8200E-01 2.0750E+02 2.6630E+03 6.0950E+03 / //TROE FALL-OFF REACTION -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H4(+M) = C2H2+H2(+M) 8.000E+12 0.44 8.877E+04 0.0 0.0 0.0 -LOW / 1.5800E+51 -9.3000E+00 9.7800E+04 / -TROE / 7.3500E-01 1.8000E+02 1.0350E+03 5.4170E+03 / //TROE FALL-OFF REACTION -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H2+H(+M) = C2H3(+M) 5.600E+12 0.00 2.400E+03 0.0 0.0 0.0 -LOW / 3.8000E+40 -7.2700E+00 7.2200E+03 / -TROE / 7.5100E-01 9.8500E+01 1.3020E+03 4.1670E+03 / //TROE FALL-OFF REACTION -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H+H(+M) = C2H2(+M) 1.000E+17 0.00 0.000E+00 0.0 0.0 0.0 -LOW / 3.7500E+33 -4.8000E+00 1.9000E+03 / -TROE / 6.4600E-01 1.3200E+02 1.3150E+03 5.5660E+03 / //TROE FALL-OFF REACTION -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH(+M) = CH2OH+CH3(+M) 5.710E+23 -1.68 9.440E+04 0.0 0.0 0.0 -LOW / 3.1100E+85 -1.8840E+01 1.1310E+05 / -TROE / 5.0000E-01 5.5000E+02 8.2500E+02 6.1000E+03 / //TROE FALL-OFF REACTION -H2/2/ H2O/5/ CO/2/ CO2/3/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH(+M) = C2H5+OH(+M) 2.400E+23 -1.62 9.954E+04 0.0 0.0 0.0 -LOW / 5.1100E+85 -1.8800E+01 1.1877E+05 / -TROE / 5.0000E-01 6.5000E+02 8.0000E+02 1.0000E+15 / //TROE FALL-OFF REACTION -H2/2/ H2O/5/ CO/2/ CO2/3/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH(+M) = C2H4+H2O(+M) 2.790E+13 0.09 6.614E+04 0.0 0.0 0.0 -LOW / 2.5700E+83 -1.8850E+01 8.6453E+04 / -TROE / 7.0000E-01 3.5000E+02 8.0000E+02 3.8000E+03 / //TROE FALL-OFF REACTION -H2O/5/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH(+M) = CH3CHO+H2(+M) 7.240E+11 0.10 9.101E+04 0.0 0.0 0.0 -LOW / 4.4600E+87 -1.9420E+01 1.1558E+05 / -TROE / 9.0000E-01 9.0000E+02 1.1000E+03 3.5000E+03 / //TROE FALL-OFF REACTION -H2O/5/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH3(+M) = CH3CO+CH3(+M) 7.108E+21 -1.57 8.468E+04 0.0 0.0 0.0 -LOW / 7.0130E+89 -2.0380E+01 1.0715E+05 / -TROE / 8.6300E-01 1.0000E+10 4.1640E+02 3.2900E+09 / //TROE FALL-OFF REACTION - -//WKM -//NEW DME RATE CONSTANTS FROM CURRAN. -//PRIVATE COMMUNICATION -//UNIMOLECULAR DECOMPOSITION OF DME (BATH GAS: N2) -CH3OCH3(+M) <=> CH3+CH3O(+M) 4.848E+21 -1.560 8.313E+04 0.0 0.0 0.0 -LOW / 1.118E+71 -1.4530E+01 1.0043E+05 / -TROE / 8.4300E-01 9.4900E+09 5.5636E+02 6.7100E+09 / //TROE FALL-OFF REACTION - -//HEALY ET AL C&F, 155: 451 461 (2008) -//OEHSCHLAEGER ET AL. -//PROC COMB INST 30 (2005) 1119-1127 -C3H8(+M) = CH3+C2H5(+M) 1.290E+37 -5.84 9.738E+04 0.0 0.0 0.0 -LOW / 5.6400E+74 -1.5740E+01 9.8714E+04 / -TROE / 3.1000E-01 5.0000E+01 3.0000E+03 9.0000E+03 / //TROE FALL-OFF REACTION -H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-A+H(+M) = C3H6(+M) 2.00E+14 0.0 0.0 0.0 0.0 0.0 -LOW / 1.33E+60 -12.00 5967.8 / -TROE / 0.020 1096.6 1096.6 6859.5 / -H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/ - -//LASKIN ET AL. IJCK 32 589-614 2000 -C2H3+CH3(+M) = C3H6(+M) 2.500E+13 0.0 0.0 0.0 0.0 0.0 -LOW / 4.270E+58 -11.940 9769.80/ -TROE / 0.175 1340.6 60000.0 10139.8 / -H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/C2H2/3.00/ C2H4/3.00/ - -//LASKIN ET AL IJCK 32 589-614 2000 -////////////////////////////PRESSURE DEPENDANT//////////////////////////////////////////////////////////////////// -//C3H6+H = C2H4+CH3 8.80E+16 -1.05 6461.0 //91TSA RRKM 0.1 ATM -//C3H6+H = C2H4+CH3 8.00E+21 -2.39 11180.0 //91TSA RRKM 1 ATM -//C3H6+H = C2H4+CH3 3.30E+24 -3.04 15610.0 //91TSA RRKM 10 ATM -// High-P limit is the reported 10atm rate. -C3H6+H = C2H4+CH3 3.30E+24 -3.04 15610.0 0.0 0.0 0.0 -PLOG / 0.1 8.80E+16 -1.05 6461.0 / -PLOG / 1 8.00E+21 -2.39 11180.0 / -PLOG / 10 3.30E+24 -3.04 15610.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////////////PRESSURE DEPENDANCE//////////////////////////////////////////////////// -//C3H5-A+OH = C2H3CHO+H+H 5.30E+37 -6.71 29306.0 //91TSA RRKM 0.1 ATM -//C3H5-A+OH = C2H3CHO+H+H 4.20E+32 -5.16 30126.0 //91TSA RRKM 1 ATM -//C3H5-A+OH = C2H3CHO+H+H 1.60E+20 -1.56 26330.0 //91TSA RRKM 10 ATM -// High-P limit is the reported 10atm rate. -C3H5-A+OH = C2H3CHO+H+H 1.60E+20 -1.56 26330.0 0.0 0.0 0.0 -PLOG / 0.1 5.30E+37 -6.71 29306.0 / -PLOG / 1 4.20E+32 -5.16 30126.0 / -PLOG / 10 1.60E+20 -1.56 26330.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////////////PRESSURE DEPENDANCE//////////////////////////////////////////////////// -//C3H5-A+O2 = C3H4-A+HO2 4.99E+15 -1.40 22428.0 //93BOZ/DEA RRKM 1 ATM -//C3H5-A+O2 = C3H4-A+HO2 2.18E+21 -2.85 30755.0 //93BOZ/DEA RRKM 10 ATM -// High-P limit is the reported 10atm rate. -C3H5-A+O2 = C3H4-A+HO2 2.18E+21 -2.85 30755.0 0.0 0.0 0.0 -PLOG / 1 4.99E+15 -1.40 22428.0 / -PLOG / 10 2.18E+21 -2.85 30755.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////////////PRESSURE DEPENDANCE//////////////////////////////////////////////////// -//C3H5-A+O2 = CH3CO+CH2O 1.19E+15 -1.01 20128.0 //93BOZ/DEA RRKM 1 ATM -//C3H5-A+O2 = CH3CO+CH2O 7.14E+15 -1.21 21046.0 //93BOZ/DEA RRKM 10 ATM -// High-P limit is the reported 10atm rate. -C3H5-A+O2 = CH3CO+CH2O 7.14E+15 -1.21 21046.0 0.0 0.0 0.0 -PLOG / 1 1.19E+15 -1.01 20128.0 / -PLOG / 10 7.14E+15 -1.21 21046.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////////////PRESSURE DEPENDANCE//////////////////////////////////////////////////// -//C3H5-A+O2 = C2H3CHO+OH 1.82E+13 -0.41 22859.0 //93BOZ/DEA RRKM 1 ATM -//C3H5-A+O2 = C2H3CHO+OH 2.47E+13 -0.45 23017.0 //93BOZ/DEA RRKM 10 ATM -// High-P limit is the reported 10atm rate. -C3H5-A+O2 = C2H3CHO+OH 2.47E+13 -0.45 23017.0 0.0 0.0 0.0 -PLOG / 1 1.82E+13 -0.41 22859.0 / -PLOG / 10 2.47E+13 -0.45 23017.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////////////PRESSURE DEPENDANCE//////////////////////////////////////////////////// -//C3H5-A = C3H5-T 7.06E+56 -14.08 75868.0 //99DAV/LAW RRKM 1 ATM -//C3H5-A = C3H5-T 4.80E+55 -13.59 75949.0 //99DAV/LAW RRKM 2 ATM -//C3H5-A = C3H5-T 4.86E+53 -12.81 75883.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C3H5-A = C3H5-T 4.86E+53 -12.81 75883.0 0.0 0.0 0.0 -PLOG / 1 7.06E+56 -14.08 75868.0 / -PLOG / 2 4.80E+55 -13.59 75949.0 / -PLOG / 5 4.86E+53 -12.81 75883.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////////////PRESSURE DEPENDANCE//////////////////////////////////////////////////// -//C3H5-A = C3H5-S 5.00E+51 -13.02 73300.0 //99DAV/LAW RRKM 1 ATM -//C3H5-A = C3H5-S 9.70E+48 -11.73 73700.0 //99DAV/LAW RRKM 10 ATM -//C3H5-A = C3H5-S 4.86E+44 -9.84 73400.0 //99DAV/LAW RRKM 100 ATM -// High-P limit is the reported 100 atm rate. -C3H5-A = C3H5-S 4.86E+44 -9.84 73400.0 0.0 0.0 0.0 -PLOG / 1 5.00E+51 -13.02 73300.0 / -PLOG / 10 9.70E+48 -11.73 73700.0 / -PLOG / 100 4.86E+44 -9.84 73400.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////////////////////////////////////////// -//C2H2+CH3 = C3H5-A 2.68E+53 -12.82 35730.0 //99DAV/LAW RRKM 1 ATM -//C2H2+CH3 = C3H5-A 3.64E+52 -12.46 36127.0 //99DAV/LAW RRKM 2 ATM -//C2H2+CH3 = C3H5-A 1.04E+51 -11.89 36476.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C2H2+CH3 = C3H5-A 1.04E+51 -11.89 36476.0 0.0 0.0 0.0 -PLOG / 1 2.68E+53 -12.82 35730.0 / -PLOG / 2 3.64E+52 -12.46 36127.0 / -PLOG / 5 1.04E+51 -11.89 36476.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C2H2+CH3 = C3H5-S 3.20E+35 -7.76 13300.0 //99DAV/LAW RRKM 1 ATM -//C2H2+CH3 = C3H5-S 2.40E+38 -8.21 17100.0 //99DAV/LAW RRKM 10 ATM -//C2H2+CH3 = C3H5-S 1.40E+39 -8.06 20200.0 //99DAV/LAW RRKM 100 ATM -// High-P limit is the reported 100 atm rate. -C2H2+CH3 = C3H5-S 1.40E+39 -8.06 20200.0 0.0 0.0 0.0 -PLOG / 1 3.20E+35 -7.76 13300.0 / -PLOG / 10 2.40E+38 -8.21 17100.0 / -PLOG / 100 1.40E+39 -8.06 20200.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////// -//C2H2+CH3 = C3H5-T 4.99E+22 -4.39 18850.0 //99DAV/LAW RRKM 1 ATM -//C2H2+CH3 = C3H5-T 6.00E+23 -4.60 19571.0 //99DAV/LAW RRKM 2 ATM -//C2H2+CH3 = C3H5-T 7.31E+25 -5.06 21150.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C2H2+CH3 = C3H5-T 7.31E+25 -5.06 21150.0 0.0 0.0 0.0 -PLOG / 1 4.99E+22 -4.39 18850.0 / -PLOG / 2 6.00E+23 -4.60 19571.0 / -PLOG / 5 7.31E+25 -5.06 21150.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////////// PRESSURE DEPENDANCE //////////////////////////////////////////// -//C3H5-T = C3H5-S 1.50E+48 -12.71 53900.0 //99DAV/LAW RRKM 1 ATM -//C3H5-T = C3H5-S 5.10E+52 -13.37 57200.0 //99DAV/LAW RRKM 10 ATM -//C3H5-T = C3H5-S 5.80E+51 -12.43 59200.0 //99DAV/LAW RRKM 100 ATM -// High-P limit is the reported 100 atm rate. -C3H5-T = C3H5-S 5.80E+51 -12.43 59200.0 0.0 0.0 0.0 -PLOG / 1 1.50E+48 -12.71 53900.0 / -PLOG / 10 5.10E+52 -13.37 57200.0 / -PLOG / 100 5.80E+51 -12.43 59200.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C2H2+CH3 = C3H4-A+H 5.14E+09 0.86 22153.0 //99DAV/LAW RRKM 1 ATM -//C2H2+CH3 = C3H4-A+H 1.33E+10 0.75 22811.0 //99DAV/LAW RRKM 2 ATM -//C2H2+CH3 = C3H4-A+H 9.20E+10 0.54 23950.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C2H2+CH3 = C3H4-A+H 9.20E+10 0.54 23950.0 0.0 0.0 0.0 -PLOG / 1 5.14E+09 0.86 22153.0 / -PLOG / 2 1.33E+10 0.75 22811.0 / -PLOG / 5 9.20E+10 0.54 23950.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////////// PRESSURE DEPENDANCE //////////////////////////////////// -//C3H4-A+H = C3H5-S 5.40E+29 -6.09 16300.0 //99DAV/LAW RRKM 1 ATM -//C3H4-A+H = C3H5-S 2.60E+31 -6.23 18700.0 //99DAV/LAW RRKM 10 ATM -//C3H4-A+H = C3H5-S 3.20E+31 -5.88 21500.0 //99DAV/LAW RRKM 100 ATM -// High-P limit is the reported 100 atm rate. -C3H4-A+H = C3H5-S 3.20E+31 -5.88 21500.0 0.0 0.0 0.0 -PLOG / 1 5.40E+29 -6.09 16300.0 / -PLOG / 10 2.60E+31 -6.23 18700.0 / -PLOG / 100 3.20E+31 -5.88 21500.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////////// PRESSURE DEPENDANCE //////////////////////////////////// -//C3H4-A+H = C3H5-T 9.46E+42 -9.43 11190.0 //99DAV/LAW RRKM 1 ATM -//C3H4-A+H = C3H5-T 8.47E+43 -9.59 12462.0 //99DAV/LAW RRKM 2 ATM -//C3H4-A+H = C3H5-T 6.98E+44 -9.70 14032.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C3H4-A+H = C3H5-T 6.98E+44 -9.70 14032.0 0.0 0.0 0.0 -PLOG / 1 9.46E+42 -9.43 11190.0 / -PLOG / 2 8.47E+43 -9.59 12462.0 / -PLOG / 5 6.98E+44 -9.70 14032.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -//////////////////////////// PRESSURE DEPENDANCE //////////////////////////////////// -//C3H4-A+H = C3H5-A 1.52E+59 -13.54 26949.0 //99DAV/LAW RRKM 1 ATM -//C3H4-A+H = C3H5-A 3.78E+57 -12.98 26785.0 //99DAV/LAW RRKM 2 ATM -//C3H4-A+H = C3H5-A 7.34E+54 -12.09 26187.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C3H4-A+H = C3H5-A 7.34E+54 -12.09 26187.0 0.0 0.0 0.0 -PLOG / 1 1.52E+59 -13.54 26949.0 / -PLOG / 2 3.78E+57 -12.98 26785.0 / -PLOG / 5 7.34E+54 -12.09 26187.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C3H4-P = CC3H4 1.73E+12 0.31 60015.0 //99DAV/LAW RRKM KINF -//C3H4-P = CC3H4 2.84E+45 -10.45 69284.0 //99DAV/LAW RRKM 0.4 ATM -//C3H4-P = CC3H4 1.20E+44 -9.92 69250.0 //99DAV/LAW RRKM 1 ATM -//C3H4-P = CC3H4 5.47E+42 -9.43 69089.0 //99DAV/LAW RRKM 2 ATM -//C3H4-P = CC3H4 3.92E+40 -8.69 68706.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported KINF rate. -// 1000 ATM rate is also the reported KINF rate. -C3H4-P = CC3H4 1.73E+12 0.31 60015.0 0.0 0.0 0.0 -PLOG / 0.4 2.84E+45 -10.45 69284.0 / -PLOG / 1 1.20E+44 -9.92 69250.0 / -PLOG / 2 5.47E+42 -9.43 69089.0 / -PLOG / 5 3.92E+40 -8.69 68706.0 / -PLOG / 1000 1.73E+12 0.31 60015.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C3H4-P = C3H4-A 5.81E+62 -14.63 91211.0 //99DAV/LAW RRKM 0.4 ATM -//C3H4-P = C3H4-A 5.15E+60 -13.93 91117.0 //99DAV/LAW RRKM 1 ATM -//C3H4-P = C3H4-A 7.64E+59 -13.59 91817.0 //99DAV/LAW RRKM 2 ATM -//C3H4-P = C3H4-A 3.12E+58 -13.07 92680.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C3H4-P = C3H4-A 3.12E+58 -13.07 92680.0 0.0 0.0 0.0 -PLOG / 0.4 5.81E+62 -14.63 91211.0 / -PLOG / 1 5.15E+60 -13.93 91117.0 / -PLOG / 2 7.64E+59 -13.59 91817.0 / -PLOG / 5 3.12E+58 -13.07 92680.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C3H4-P+H = C3H4-A+H 6.27E+17 -0.91 10079.0 //99DAV/LAW RRKM 1 ATM -//C3H4-P+H = C3H4-A+H 1.50E+18 -1.00 10756.0 //99DAV/LAW RRKM 2 ATM -//C3H4-P+H = C3H4-A+H 1.93E+18 -1.01 11523.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C3H4-P+H = C3H4-A+H 1.93E+18 -1.01 11523.0 0.0 0.0 0.0 -PLOG / 1 6.27E+17 -0.91 10079.0 / -PLOG / 2 1.50E+18 -1.00 10756.0 / -PLOG / 5 1.93E+18 -1.01 11523.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C3H4-P+H = C3H5-T 1.66E+47 -10.58 13690.0 //99DAV/LAW RRKM 1 ATM -//C3H4-P+H = C3H5-T 5.04E+47 -10.61 14707.0 //99DAV/LAW RRKM 2 ATM -//C3H4-P+H = C3H5-T 9.62E+47 -10.55 15910.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C3H4-P+H = C3H5-T 9.62E+47 -10.55 15910.0 0.0 0.0 0.0 -PLOG / 1 1.66E+47 -10.58 13690.0 / -PLOG / 2 5.04E+47 -10.61 14707.0 / -PLOG / 5 9.62E+47 -10.55 15910.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C3H4-P+H = C3H5-S 5.50E+28 -5.74 4300.0 //99DAV/LAW RRKM 1 ATM -//C3H4-P+H = C3H5-S 1.00E+34 -6.88 8900.0 //99DAV/LAW RRKM 10 ATM -//C3H4-P+H = C3H5-S 9.70E+37 -7.63 13800.0 //99DAV/LAW RRKM 100 ATM -// High-P limit is the reported 100 atm rate. -C3H4-P+H = C3H5-S 9.70E+37 -7.63 13800.0 0.0 0.0 0.0 -PLOG / 1 5.50E+28 -5.74 4300.0 / -PLOG / 10 1.00E+34 -6.88 8900.0 / -PLOG / 100 9.70E+37 -7.63 13800.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C3H4-P+H = C3H5-A 4.91E+60 -14.37 31644.0 //99DAV/LAW RRKM 1 ATM -//C3H4-P+H = C3H5-A 3.04E+60 -14.19 32642.0 //99DAV/LAW RRKM 2 ATM -//C3H4-P+H = C3H5-A 9.02E+59 -13.89 33953.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C3H4-P+H = C3H5-A 9.02E+59 -13.89 33953.0 0.0 0.0 0.0 -PLOG / 1 4.91E+60 -14.37 31644.0 / -PLOG / 2 3.04E+60 -14.19 32642.0 / -PLOG / 5 9.02E+59 -13.89 33953.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C2H2+CH3 = C3H4-P+H 2.56E+09 1.10 13644.0 //99DAV/LAW RRKM 1 ATM -//C2H2+CH3 = C3H4-P+H 2.07E+10 0.85 14415.0 //99DAV/LAW RRKM 2 ATM -//C2H2+CH3 = C3H4-P+H 2.51E+11 0.56 15453.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported 5 atm rate. -C2H2+CH3 = C3H4-P+H 2.51E+11 0.56 15453.0 0.0 0.0 0.0 -PLOG / 1 2.56E+09 1.10 13644.0 / -PLOG / 2 2.07E+10 0.85 14415.0 / -PLOG / 5 2.51E+11 0.56 15453.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//CC3H4 = C3H4-A 1.98E+12 0.56 42240.0 //99DAV/LAW RRKM KINF -//CC3H4 = C3H4-A 7.59E+40 -9.07 48831.0 //99DAV/LAW RRKM 0.4 ATM -//CC3H4 = C3H4-A 4.89E+41 -9.17 49594.0 //99DAV/LAW RRKM 1 ATM -//CC3H4 = C3H4-A 8.81E+41 -9.15 50073.0 //99DAV/LAW RRKM 2 ATM -//CC3H4 = C3H4-A 4.33E+41 -8.93 50475.0 //99DAV/LAW RRKM 5 ATM -// High-P limit is the reported KINF rate. -// 1000 ATM rate is also the reported KINF rate. -CC3H4 = C3H4-A 1.98E+12 0.56 42240.0 0.0 0.0 0.0 -PLOG / 0.4 7.59E+40 -9.07 48831.0 / -PLOG / 1 4.89E+41 -9.17 49594.0 / -PLOG / 2 8.81E+41 -9.15 50073.0 / -PLOG / 5 4.33E+41 -8.93 50475.0 / -PLOG / 1000 1.98E+12 0.56 42240.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+CH3(+M) = C4H612(+M) 1.50E+12 0.0 0.0 0.0 0.0 0.0 -LOW /2.60E+57 -11.94 9770.0/ -TROE /0.175 1340.6 60000.0 9769.8/ -H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//OEHLSCHLAEGER ET AL. -//J. PHYS. CHEM. A 2004, 108:4247-4253 -C4H10(+M) = C2H5+C2H5(+M) 2.720E+15 0.00 7.561E+04 0.0 0.0 0.0 -LOW / 4.7200E+18 0.0000E+00 4.9576E+04 / -TROE / 7.2000E-01 1.5000E+03 1.0000E-10 1.0000E+10 / //TROE FALL-OFF REACTION - -//HEALY ET AL C&F, 155: 451 461 (2008) -//OEHLSCHLAEGER ET AL. -//J. PHYS. CHEM. A 2004, 108:4247-4253 -C4H10(+M) = NC3H7+CH3(+M) 4.280E+14 0.00 6.990E+04 0.0 0.0 0.0 -LOW / 5.3400E+17 0.0000E+00 4.2959E+04 / -TROE / 7.2000E-01 1.5000E+03 1.0000E-10 1.0000E+10 / //TROE FALL-OFF REACTION - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C4H6+H = C2H4+C2H3 1.46E+30 -4.34 21647.0 //97WAN/FRE 1 ATM -//C4H6+H = C2H4+C2H3 5.45E+30 -4.51 21877.0 //97WAN/FRE 10 ATM -// High-P limit is the reported 10 atm rate. -C4H6+H = C2H4+C2H3 5.45E+30 -4.51 21877.0 0.0 0.0 0.0 -PLOG / 1 1.46E+30 -4.34 21647.0 / -PLOG / 10 5.45E+30 -4.51 21877.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -////////////////////////// PRESSURE DEPENDANCE ////////////////////////////////////////// -//C4H71-4 = C4H6+H 2.48E+53 -12.30 52000.0 // 1ATM -//C4H71-4 = C4H6+H 1.85E+48 -10.50 51770.0 //97WAN/FRE 10 ATM -// High-P limit is the reported 10 atm rate. -C4H71-4 = C4H6+H 1.85E+48 -10.50 51770.0 0.0 0.0 0.0 -PLOG / 1 2.48E+53 -12.30 52000.0 / -PLOG / 10 1.85E+48 -10.50 51770.0 / - -//LASKIN ET AL. IJCK 32 589-614 2000 -H2CC+C2H2(+M) = C4H4(+M) 3.500E+05 2.055 -2400.00 0.0 0.0 0.0 -LOW /1.400E+60 -12.599 7417.00 / -TROE /0.980 56.0 580.0 4164.0 / -H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ -C2H2/3.00/ C2H4/3.00/ - -//HEALY ET AL C&F, 155: 451 461 (2008) -//OEHLSCHLAEGER ET AL. -//J. PHYS. CHEM. A 2004, 108:4247-4253 -IC4H10(+M) = CH3+IC3H7(+M) 4.830E+16 0.00 7.990E+04 0.0 0.0 0.0 -LOW / 2.4100E+19 0.0000E+00 5.2576E+04 / -TROE / 2.5000E-01 7.5000E+02 1.0000E-10 1.0000E+10 / //TROE FALL-OFF REACTION - -CH3OCHO(+M) = CH3OH+CO(+M) 2.0E+13 0.0 6.0E+04 0.0 0.0 0.0 -LOW/2.4E+59 -1.18E+01 7.14E+04/ -TROE/2.3991E-01 5.551095E+02 8.336781E+09 8.213938E+09/ -H2/3.0/ H2O/6/ O2/1.1/ CO/2.7/ CO2/5.4/ HE/1.2/ -CH3OCHO(+M) = CH4+CO2(+M) 1.5E+12 0.0 5.97E+04 0.0 0.0 0.0 -LOW/5.63E+61 -1.279E+01 7.11E+04/ -TROE/1.794047E-01 3.575408E+02 9.918709E+09 3.289899E+09/ -H2/3.0/ H2O/6/ O2/1.1/ CO/2.7/ CO2/5.4/ HE/1.2/ -CH3OCHO(+M) = CH2O+CH2O(+M) 1.0E+12 0.0 6.05E+04 0.0 0.0 0.0 -LOW/1.55000E+57 -1.15700E+01 7.17000E+04/ -TROE/ 7.807451E-01 6.490132E+09 6.187990E+02 6.710101E+09/ -H2/3.0/ H2O/6/ O2/1.1/ CO/2.7/ CO2/5.4/ HE/1.2/ -CH3OCHO(+M) = CH3 + OCHO(+M) 2.170E+24 -2.401 9.26E+04 0.0 0.0 0.0 -LOW / 5.7100E+47 -8.4300E+00 9.8490E+04 / -TROE / 6.8932E-15 4.7341E+03 9.3302E+09 1.7860E+09 / //TROE FALL-OFF REACTION -H2/3.0/ H2O/6/ O2/1.1/ CO/2.7/ CO2/5.4/ HE/1.2/ -CH3OCHO(+M) = CH3O + HCO(+M) 4.180E+16 0.0 9.70E+04 0.0 0.0 0.0 -//REV 3E13 0.0 0.0 -LOW / 5.2700E+63 -1.2320E+01 1.0918E+05 / -TROE / 8.9375E-01 7.4991E+09 6.4704E+02 6.6980E+08 / //TROE FALL-OFF REACTION -H2/3.0/ H2O/6/ O2/1.1/ CO/2.7/ CO2/5.4/ HE/1.2/ - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-A+CH3(+M) = C4H8-1(+M) 1.00E+14 -0.32 -262.3 0.0 0.0 0.0 -LOW / 3.91E+60 -12.81 6250.0 / -TROE / 0.104 1606.0 60000.0 6118.4 / -H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/ \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_N2bathgas/reactions.txt b/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_N2bathgas/reactions.txt deleted file mode 100644 index f11aa15544..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_N2bathgas/reactions.txt +++ /dev/null @@ -1,5334 +0,0 @@ -// Complete Dooley et al. mechanism for methylformate chemistry -// MRH - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: -// H2/O2 MECHANISM OF LI ET AL. IJCK 36:565 (2004) -// -//********************************************************************************* - -//H2-O2 CHAIN REACTIONS - -// HESSLER, J. PHYS. CHEM. A, 102:4517 (1998) -H+O2 = O+OH 3.547E+15 -0.406 1.6599E+04 0.0 0.0 0.0 - -// SUTHERLAND ET AL., 21ST SYMPOSIUM, P. 929 (1986) -O+H2 = H+OH 0.508E+05 2.67 0.629E+04 0.0 0.0 0.0 - -// MICHAEL AND SUTHERLAND, J. PHYS. CHEM. 92:3853 (1988) -H2+OH = H2O+H 0.216E+09 1.51 0.343E+04 0.0 0.0 0.0 - -// SUTHERLAND ET AL., 23RD SYMPOSIUM, P. 51 (1990) -O+H2O = OH+OH 2.970E+06 2.02 1.340E+04 0.0 0.0 0.0 - - -//H2-O2 DISSOCIATION REACTIONS - -// TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) [MODIFIED] -HO2+H = H2+O2 1.66E+13 0.00 0.823E+03 0.0 0.0 0.0 - -// TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) [MODIFIED] -HO2+H = OH+OH 7.079E+13 0.00 2.950E+02 0.0 0.0 0.0 - -// BAULCH ET AL., J. PHYS. CHEM. REF DATA, 21:411 (1992) -HO2+O = O2+OH 3.250E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// KEYSER, J. PHYS. CHEM. 92:1193 (1988) -HO2+OH = H2O+O2 2.890E+13 0.00 -4.970E+02 0.0 0.0 0.0 - - -//FORMATION AND CONSUMPTION OF H2O2 - -// HIPPLER ET AL., J. CHEM. PHYS. 93:1755 (1990) -HO2+HO2 = H2O2+O2 4.200E+14 0.00 1.1982E+04 0.0 0.0 0.0 - DUPLICATE -HO2+HO2 = H2O2+O2 1.300E+11 0.00 -1.6293E+03 0.0 0.0 0.0 - DUPLICATE - -// TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) -H2O2+H = H2O+OH 2.410E+13 0.00 3.970E+03 0.0 0.0 0.0 -H2O2+H = HO2+H2 4.820E+13 0.00 7.950E+03 0.0 0.0 0.0 -H2O2+O = OH+HO2 9.550E+06 2.00 3.970E+03 0.0 0.0 0.0 - -// HIPPLER AND TROE, J. CHEM. PHYS. LETT. 192:333 (1992) -H2O2+OH = HO2+H2O 1.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - DUPLICATE -H2O2+OH = HO2+H2O 5.800E+14 0.00 9.557E+03 0.0 0.0 0.0 - DUPLICATE - - -//**************************** CO/HCO REACTIONS ********************************* -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CO+O2 = CO2+O 2.530E+12 0.00 4.770E+04 0.0 0.0 0.0 - -// THIS RATE CONSTANT IS MODIFIED PER AN UPDATED VALUE FOR HO2+HO2=H2O2+OH -CO+HO2 = CO2+OH 3.010E+13 0.00 2.300E+04 0.0 0.0 0.0 - -// LEAST SQUARES FIT TO AVAILABLE EXPERIMENTAL RESULTS -CO+OH = CO2+H 2.229E+05 1.89 -1.1587E+03 0.0 0.0 0.0 - -// TIMONEN ET AL., JPC, 92:651 (1988) -HCO+O2 = CO+HO2 7.580E+12 0.00 4.100E+02 0.0 0.0 0.0 - -// TIMONEN ET AL., JPC, 91:692 (1987) -HCO+H = CO+H2 7.230E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -HCO+O = CO+OH 3.020E+13 0.00 0.000E+00 0.0 0.0 0.0 -HCO+OH = CO+H2O 3.020E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// ALL REACTIONS FROM TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -HCO+O = CO2+H 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -HCO+HO2 = CO2+OH+H 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -//HCO+CH3 = CO+CH4 1.200E+14 0.00 0.000E+00 -// ^^ APPROACHES COLLISION LIMIT CHANGED TO THE VALUE OF S.A. MULENKO, //REV ROUM PHYS 1987 -HCO+CH3 = CO+CH4 2.650E+13 0.00 0.000E+00 0.0 0.0 0.0 -HCO+HCO = H2+CO+CO 3.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -// GLARBORG ET AL'S PAPER (C&F, 132:629, 2003) -HCO+HCO = CH2O+CO 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451-461 (2008) - -//DIRECTION CHANGE -//O2CHO = HCO+O2 1.396E+29 -4.55 4.630E+04 -//REV/ 1.200E+11 0.00 -1.100E+03 / -HCO+O2 = O2CHO 1.2E+11 0.0 -1100.0 0.0 0.0 0.0 - -CH2O+O2CHO = HCO+HO2CHO 1.990E+12 0.00 1.166E+04 0.0 0.0 0.0 -//REV/ 3.744E+03 1.95 7.145E+03 / -HO2CHO = OCHO+OH 5.010E+14 0.00 4.015E+04 0.0 0.0 0.0 -//REV/ 2.871E+06 2.09 -7.012E+03 / - - -//***************************** CH2O REACTIONS ********************************** - -// IRDAM ET AL., IJCK 1993, 25, 285 -CH2O + H = HCO + H2 5.740E+07 1.90 2.7486E+03 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH2O + O = HCO + OH 1.810E+13 0.00 3.080E+03 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH2O + OH = HCO + H2O 3.430E+09 1.18 -4.470E+02 0.0 0.0 0.0 - -// HIDAKA ET AL. COMBUST FLAME 92:365 (1993) -CH2O + O2 = HCO + HO2 1.230E+06 3.00 5.200E+04 0.0 0.0 0.0 - -// EITENEER ET AL, JPC A.,1998, 102, 5196 -CH2O + HO2 = HCO + H2O2 4.110E+04 2.50 1.021E+04 0.0 0.0 0.0 - -//FISCHER ET AL. IJCK, 32:713 (2000) -CH2O+CH3 = HCO+CH4 3.636E-06 5.42 9.980E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451-461 (2008) - -//DIRECTION CHANGE -//OCH2O2H = CH2O+HO2 1.278E+18 -1.80 1.046E+04 -//REV/ 1.500E+11 0.00 1.190E+04 / -CH2O+HO2 = OCH2O2H 1.500E+11 0.00 1.190E+04 0.0 0.0 0.0 - -OCH2O2H = HOCH2O2 3.000E+11 0.00 8.600E+03 0.0 0.0 0.0 -//REV/ 4.241E+08 0.95 2.620E+04 / -HOCH2O2+HO2 = HOCH2O2H+O2 3.500E+10 0.00 -3.275E+03 0.0 0.0 0.0 -//REV/ 1.046E+14 -0.84 3.487E+04 / - -//DIRECTION CHANGE -//HOCH2O2H = HOCH2O+OH 1.023E+21 -1.92 4.249E+04 -//REV/ 1.000E+13 0.00 0.000E+00 / -HOCH2O+OH = HOCH2O2H 1.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//****************************** CH4 REACTIONS ********************************** - -// SLAGLE ET AL., JPC, 91:4375 (1987) -CH3+O = CH2O+H 8.430E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH3+O2 = CH3O+O 1.990E+18 -1.57 2.923E+04 0.0 0.0 0.0 - -//WKM NOT SURE WHAT NUMBER I WILL USE YET -// SCIRE ET AL. IJCK, 33:75 (2001) -//CH3+O2 = CH2O+OH 3.740E+11 0.00 1.4640E+04 -//CH3+O2 = CH2O+OH 4.110E+11 0.00 1.384E+04 // HENRY -//WKM -//FROM KLIPPENSTEIN. MAY NOT BE THE FINAL NUMBER BUT SHOULD BE PRETTY CLOSE -CH3+O2 = CH2O+OH 3.510E-01 3.524 7.380E+03 0.0 0.0 0.0 - -// JIM SCIRE (PH.D. THESIS, 2002) ONLY FOR 1000 K -// CH3+HO2 = CH3O+OH 1.480E+13 0.00 0.000E+00 - -//ZHU AND LIN (2001, J.PHYS.CHEM. A 105) -// CH3+HO2 = CH3O+OH 6.14244E+10 0.76 -2.325E+03 //1000-3000K -// CH3+HO2 = CH3O+OH 1.78853E+14 -0.24 -3.6167E+02 //300-1000K - -// LI ET AL. (IJCK, SUBMITTED) BY MODIFING ZHU & LIN'S TO MATCH JIM'S VALUE AT 1000K -CH3+HO2 = CH3O+OH 2.410E+10 0.76 -2.325E+03 0.0 0.0 0.0 - -// SCHATZ ET AL., JPC, 88:221 (1984) -CH4+H = CH3+H2 5.470E+07 1.97 1.121E+04 0.0 0.0 0.0 - -// KLEMM ET AL. 18TH SYMP. (INT) COMBUST. P785 (1981) -CH4+O = CH3+OH 3.150E+12 0.50 1.029E+04 0.0 0.0 0.0 - -// FELDER AND MADRONICH, CST, 50:135 (1986) -CH4+OH = CH3+H2O 5.720E+06 1.96 2.639E+03 0.0 0.0 0.0 - -// SCIRE ET AL. IJCK, 33:75 (2001) -CH3+HO2 = CH4+O2 3.160E+12 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH4+HO2 = CH3+H2O2 1.810E+11 0.00 1.858E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG -CH3+CH3OH = CH4+CH3O 1.440E+01 3.10 6.935E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -//DIVIDED BY 2 -CH3O+CH3 = CH2O+CH4 1.200E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM HOYERMANN ET AL, 18TH SYMPOSIUM -CH3O+H = CH2O+H2 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG, W., HAMPSON, R.F., J. PHYS. CHEM. REF. DATA, 15, 1087 (1986). -CH3O2+CH2O = CH3O2H+HCO 1.990E+12 0.00 1.166E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG, W., HAMPSON, R.F., J. PHYS. CHEM. REF. DATA, 15, 1087 (1986). -CH4+CH3O2 = CH3+CH3O2H 1.810E+11 0.00 1.848E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY, PART 2, -// METHANOL, J. PHYS. CHEM. REF. DATA, VOL. 16 -CH3OH+CH3O2 = CH2OH+CH3O2H 1.810E+12 0.00 1.371E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM KEIFFER, M.; MISCAMPBELL, A.J.; PILLING, M.J. -//J. CHEM. SOC. FARADAY TRANS. 2: 84, 505 (1988) -CH3O2+CH3 = CH3O+CH3O 5.080E+12 0.00 -1.411E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM LIGHTFOOT,P.D.; COX,R.A.; CROWLEY,J.N.; DESTRIAU,M.; -//HAYMAN,G.D.; JENKIN,M.E.; MOORTGAT,G.K.; ZABEL,F. -//ORGANIC PEROXY RADICALS: KINETICS, SPECTROSCOPY AND TROPOSPHERIC CHEMISTRY -//ATMOS. ENVIRON. PART A: 26, 1805-1961 (1992) -CH3O2+HO2 = CH3O2H+O2 2.470E+11 0.00 -1.570E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM LIGHTFOOT ET AL. J. CHEM. SOC. FARA TRANS. 1991, 87(19), 3213--3220. -CH3O2+CH3O2 = CH2O+CH3OH+O2 3.110E+14 -1.61 -1.051E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM LIGHTFOOT ET AL. J. CHEM. SOC. FARA TRANS. 1991, 87(19), 3213--3220. -CH3O2+CH3O2 = O2+CH3O+CH3O 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM ANALOGY TO HCO+C2H3 -//(TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986) -CH3O2+H = CH3O+OH 9.600E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM ANALOGY TO HCO+C2H3 -//(TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986) -CH3O2+O = CH3O+O2 3.600E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM ANALOGY TO HCO+C2H3 -//(TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986) -CH3O2+OH = CH3OH+O2 6.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3O2H = CH3O+OH 6.310E+14 0.00 4.230E+04 0.0 0.0 0.0 - -//******************************* CH2OH REACTIONS ******************************* - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH2OH+H = CH2O+H2 6.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH2OH+H = CH3+OH 9.635E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH2OH+O = CH2O+OH 4.200E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH2OH+OH = CH2O+H2O 2.400E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// GROTHEER ET AL., JPC, 92:4028 (1988) -// USED IN NORTON AND DRYER, IJCK, 22:219 (1990) -// HOWEVER, THEY ONLY USED THE HIGH TEMPERATURE PORTION OF THE FIT. THE HIGH -// TEMPERATURE PORTION ALONE IS 75% OF THE TOTAL AT 700K, 92.8% AT 1000 K -CH2OH+O2 = CH2O+HO2 2.410E+14 0.00 5.017E+03 0.0 0.0 0.0 - DUPLICATE -CH2OH+O2 = CH2O+HO2 1.510E+15 -1.00 0.000E+00 0.0 0.0 0.0 - DUPLICATE - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH2OH+HO2 = CH2O+H2O2 1.200E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// LI ET AL. (IJCK,SUBMITTED) STUDY BY KEEPING THE BRANCHING RATIO IF USING FRIEDRICHS ET AL. (2004) BELOW -CH2OH+HCO = CH3OH+CO 1.000E+13 0.00 0.000E+0 0.0 0.0 0.0 - -// FRIEDRICHS ET AL. (IJCK, 2004, 36, 157) -CH2OH+HCO = CH2O+CH2O 1.500E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//*** ETHYLENE GLYCOL FORMATION - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH2OH+CH2OH = CH3OH+CH2O 3.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH2OH+CH3O = CH3OH+CH2O 2.400E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN ESTIMATE -CH2OH+HO2 = HOCH2O+OH 1.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//****************************** CH3O REACTIONS ********************************* - -// WANTUCK ET AL., JPC, 91:4653 (1987) -CH3O+H = CH3+OH 3.200E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH3O+O = CH2O+OH 6.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH3O+OH = CH2O+H2O 1.800E+13 0.00 0.000E+00 0.0 0.0 0.0 - - -// WANTUCK ET AL., JPC, 91:4653 (1987) -CH3O+O2 = CH2O+HO2 9.033E+13 0.00 1.198E+04 0.0 0.0 0.0 - DUPLICATE -CH3O+O2 = CH2O+HO2 2.200E+10 0.00 1.748E+03 0.0 0.0 0.0 - DUPLICATE - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH3O+HO2 = CH2O+H2O2 3.000E+11 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH3O+CO = CH3+CO2 1.600E+13 0.00 1.180E+04 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH3O+HCO = CH3OH+CO 9.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -CH3O+CH3O = CH3OH+CH2O 6.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - - -//****************************** CH3OH REACTIONS ******************************** - -// WARNATZ, IN GARDINER, JR. COMBUSTION CHEMISTRY (1984) -CH3OH+H = CH2OH+H2 3.200E+13 0.00 6.095E+03 0.0 0.0 0.0 -CH3OH+H = CH3O+H2 8.000E+12 0.00 6.095E+03 0.0 0.0 0.0 - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH3OH+O = CH2OH+OH 3.880E+05 2.50 3.080E+03 0.0 0.0 0.0 - -// BOTT AND COHEN, IJCK, 23:1075 (1991) {356} -CH3OH+OH = CH3O+H2O 1.000E+06 2.10 4.967E+02 0.0 0.0 0.0 -CH3OH+OH = CH2OH+H2O 7.100E+06 1.80 -5.960E+02 0.0 0.0 0.0 - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH3OH+O2 = CH2OH+HO2 2.050E+13 0.00 4.490E+04 0.0 0.0 0.0 - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH3OH+HCO = CH2OH+CH2O 9.635E+03 2.90 1.311E+04 0.0 0.0 0.0 - -// CATHONNET ET AL., J. CHIM. PHYS., 79:475 (1982) -CH3OH+HO2 = CH2OH+H2O2 3.980E+13 0.00 1.940E+04 0.0 0.0 0.0 -// -//CH3OH+HO2 = CH2OH+H2O2 7.000E+13 0.00 1.940E+04 // 10 ATM -// -//CH3OH+HO2 = CH2OH+H2O2 5.500E+08 0.00 0.000E+00 // 5 ATM -// FIG 4.2 (949K) -//CH3OH+HO2 = CH2OH+H2O2 3.000E+09 0.00 0.000E+00 -// FIG 4.1 (1043K) -//CH3OH+HO2 = CH2OH+H2O2 5.500E+08 0.00 0.000E+00 -// FIG 4.3 (907K) -//CH3OH+HO2 = CH2OH+H2O2 9.000E+08 0.00 0.000E+00 -// FIG 4.4 (911K) -//CH3OH+HO2 = CH2OH+H2O2 1.000E+09 0.00 0.000E+00 -// FIG 4.5 (860K) & FIG 4.6 (858K) & FIG 4.7(857K) -//CH3OH+HO2 = CH2OH+H2O2 5.500E+08 0.00 0.000E+00 -// FIG 4.8 (809K) & FIG4.9 (810K) -//CH3OH+HO2 = CH2OH+H2O2 4.500E+08 0.00 0.000E+00 -// FIG 4.10 (811K) -//CH3OH+HO2 = CH2OH+H2O2 3.500E+08 0.00 0.000E+00 -// FIG 4.11 (783K) & FIG 4.12 -//CH3OH+HO2 = CH2OH+H2O2 2.500E+08 0.00 0.000E+00 -// FIG 4.13 -//CH3OH+HO2 = CH2OH+H2O2 3.000E+08 0.00 0.000E+00 -// %COMBINED (PRESENT FIT) -//CH3OH+HO2 = CH2OH+H2O2 1.550E+13 0.00 1.695E+04 -// PW -//CH3OH+HO2 = CH2OH+H2O2 7.760E+12 0.00 1.582E+04 - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH3OH+CH3 = CH2OH+CH4 3.190E+01 3.17 7.172E+03 0.0 0.0 0.0 - -// TSANG, JPC REF. DATA, 16:471 (1987) -CH3O+CH3OH = CH3OH+CH2OH 3.000E+11 0.00 4.060E+03 0.0 0.0 0.0 - -// GRI-1.2 -CH3+CH3 = H+C2H5 4.990E+12 0.10 1.060E+04 0.0 0.0 0.0 -CH4+CH2 = CH3+CH3 2.460E+06 2.00 8.270E+03 0.0 0.0 0.0 -CH4+CH2(S) = CH3+CH3 1.600E+13 0.00 -5.700E+02 0.0 0.0 0.0 -CH3+OH = CH2+H2O 5.600E+07 1.60 5.420E+03 0.0 0.0 0.0 -CH3+OH = CH2(S)+H2O 2.501E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3+CH2 = C2H4+H 4.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH3+CH2(S) = C2H4+H 1.200E+13 0.00 -5.700E+02 0.0 0.0 0.0 -CH3O+H = CH2(S)+H2O 1.600E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//*************************** CH/CH2/CH2(S) REACTIONS ******************************* - -CH2+O = HCO+H 8.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2+OH = CH2O+H 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2+H2 = H+CH3 5.000E+05 2.00 7.230E+03 0.0 0.0 0.0 -CH2+O2 = HCO+OH 1.320E+13 0.00 1.500E+03 0.0 0.0 0.0 -CH2+HO2 = CH2O+OH 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2+CH2 = C2H2+H2 3.200E+13 0.00 0.000E+00 0.0 0.0 0.0 -// -// REACTIONS OF CH2(S) -// -CH2(S)+H2O = CH2+H2O 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+CO = CH2+CO 9.000E+12 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+CO2 = CH2+CO2 7.000E+12 0.00 0.000E+00 0.0 0.0 0.0 -//CH2(S)+H = CH+H2 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+O = CO+H2 1.500E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+O = HCO+H 1.500E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+OH = CH2O+H 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+H2 = CH3+H 7.000E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+O2 = H+OH+CO 2.800E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+O2 = CO+H2O 1.200E+13 0.00 0.000E+00 0.0 0.0 0.0 -CH2(S)+CO2 = CH2O+CO 1.400E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//WKM -//HEALY ET AL C&F, 155: 451 461 (2008) -//////////////////////////////////// CH REACTIONS////////////////////////////////////////////////////////// - - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -CH2(S)+H <=> CH+H2 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -CH2+H <=> CH+H2 1.000E+18 -1.56 0.000E+00 0.0 0.0 0.0 -DUP - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -CH2+OH <=> CH+H2O 1.130E+07 2.00 3.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -CH+O2 <=> HCO+O 3.300E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -CH+H <=> C+H2 5.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -CH+O <=> CO+H 5.700E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -CH+OH <=> HCO+H 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -CH2+H <=> CH+H2 2.700E+11 0.67 2.570E+04 0.0 0.0 0.0 -DUP - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -CH+H2O <=> H+CH2O 1.713E+13 0.00 -7.550E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -CH+CO2 <=> HCO+CO 1.700E+12 0.00 6.850E+02 0.0 0.0 0.0 - -////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////// -//WKM - -//////////////////////////////// HCOOH REACTIONS //////////////////////////////////////////////////////// - -//FORMIC ACID REACTIONS, FROM LI DME - -HOCH2O = HCOOH+H 1.000E+14 0.00 1.490E+04 0.0 0.0 0.0 -CH2O+OH = HOCH2O 4.500E+15 -1.11 0.000E+00 0.0 0.0 0.0 -HCOOH+M = CO+H2O+M 2.300E+13 0.00 5.000E+04 0.0 0.0 0.0 -HCOOH+M = CO2+H2+M 1.500E+16 0.00 5.700E+04 0.0 0.0 0.0 -HCOOH = HCO+OH 4.593E+18 -0.46 1.083E+05 0.0 0.0 0.0 -HCOOH+OH = H2O+CO2+H 2.620E+06 2.06 9.160E+02 0.0 0.0 0.0 -HCOOH+OH = H2O+CO+OH 1.850E+07 1.51 -9.620E+02 0.0 0.0 0.0 -HCOOH+H = H2+CO2+H 4.240E+06 2.10 4.868E+03 0.0 0.0 0.0 -HCOOH+H = H2+CO+OH 6.030E+13 -0.35 2.988E+03 0.0 0.0 0.0 -HCOOH+CH3 = CH4+CO+OH 3.900E-07 5.80 2.200E+03 0.0 0.0 0.0 -HCOOH+HO2 = H2O2+CO+OH 1.000E+12 0.00 1.192E+04 0.0 0.0 0.0 -HCOOH+O = CO+OH+OH 1.770E+18 -1.90 2.975E+03 0.0 0.0 0.0 -//////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////// - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H6+H = C2H5+H2 1.150E+08 1.90 7.530E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM "REACTION RATES OF ATOMIC OXYGEN WITH STRAIGHT CHAIN ALKANES -//AND FLUOROMETHANES AT HIGH TEMPERAURES" -//CHEM. PHYS. LETT. 204, 241-247 (1993) -C2H6+O = C2H5+OH 3.550E+06 2.40 5.830E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -C2H6+OH = C2H5+H2O 1.480E+07 1.90 9.500E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH,D.L.; COBOS,C.J.; COX,R.A.; ESSER,C.; FRANK,P.; JUST,TH.; KERR,J.A. -//PILLING,M.J.; TROE,J.; WALKER,R.W.; WARNATZ,J. -//EVALUATED KINETIC DATA FOR COMBUSTION MODELLING -//J. PHYS. CHEM. REF. DATA 21, 411-429 (1992) -C2H6+O2 = C2H5+HO2 6.030E+13 0.00 5.187E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992. -C2H6+CH3 = C2H5+CH4 1.510E-07 6.00 6.047E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM J. AGUILERA-IPARRAGUIRRE, H.J. CURRAN, W. KLOPPER, J.M. SIMMIE -//JOURNAL OF PHYSICAL CHEMISTRY A 2008, VOL 112(30) 7047 7054. -C2H6+HO2 = C2H5+H2O2 3.460E+01 3.61 1.692E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CARSTENSEN AND DEAN 30TH SYMPOSIUM -C2H6+CH3O2 = C2H5+CH3O2H 1.940E+01 3.64 1.710E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -C2H6+CH3O = C2H5+CH3OH 2.410E+11 0.00 7.090E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -C2H6+CH = C2H5+CH2 1.100E+14 0.00 -2.600E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM MILLER, J.A. AND BOWMAN, C.T., MECHANISM AND MODELING -//OF NITROGEN CHEMISTRY IN COMBUSTION, WSS/CI, FALL 1988. -CH2(S)+C2H6 = CH3+C2H5 1.200E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -H2+CH3O2 = H+CH3O2H 1.500E+14 0.00 2.603E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -H2+C2H5O2 = H+C2H5O2H 1.500E+14 0.00 2.603E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG, W.; HAMPSON, R.F. -//CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. -//PART I. METHANE AND RELATED COMPOUNDS -//J. PHYS. CHEM. REF. DATA 15, 1087 (1986) -C2H4+C2H4 = C2H5+C2H3 4.820E+14 0.00 7.153E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM ZHU, R.S.; XU, Z.F.; LIN, M.C -//J. CHEM. PHYS. 120:6566:6573 (2004) -CH3+C2H5 = CH4+C2H4 1.180E+04 2.45 -2.921E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H5+H = C2H4+H2 2.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H5+O = CH3CHO+H 1.100E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BASED ON CH3+HO2 PRODUCTS -C2H5+HO2 = C2H5O+OH 1.100E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BASED ON CH3+HO2 PRODUCTS -CH3O2+C2H5 = CH3O+C2H5O 8.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM HARTMANN ET AL. 1990 -C2H5O+O2 = CH3CHO+HO2 4.280E+10 0.00 1.097E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN ESTIMATE -CH3+CH2O = C2H5O 3.000E+11 0.00 6.336E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN ESTIMATE -CH3CHO+H = C2H5O 8.000E+12 0.00 6.400E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H5+O2 = C2H5O2 2.876E+56 -13.82 1.462E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -C2H5O2+CH2O = C2H5O2H+HCO 1.990E+12 0.00 1.166E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BASED ON CH4+CH3O2 -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -CH4+C2H5O2 = CH3+C2H5O2H 1.810E+11 0.00 1.848E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -// TSANG, JPC REF. DATA, 16:471 (1987) -CH3OH+C2H5O2 = CH2OH+C2H5O2H 1.810E+12 0.00 1.371E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -// TSANG, JPC REF. DATA, 16:471 (1987) -C2H5O2+HO2 = C2H5O2H+O2 1.750E+10 0.00 -3.275E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CARSTENSEN AND DEAN 30TH SYMPOSIUM -C2H6+C2H5O2 = C2H5+C2H5O2H 8.600E+00 3.76 1.720E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CARSTENSEN AND DEAN 30TH SYMPOSIUM -C2H5O2H = C2H5O+OH 6.310E+14 0.00 4.230E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H5+O2 = C2H4O2H 1.814E+45 -11.50 1.460E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H5+O2 = C2H4+HO2 7.561E+14 -1.01 4.749E+03 0.0 0.0 0.0 -DUP - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H5+O2 = C2H4+HO2 4.000E-01 3.88 1.362E+04 0.0 0.0 0.0 -DUP - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H5+O2 = C2H4O1-2+OH 1.626E+11 -0.31 6.150E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H5+O2 = CH3CHO+OH 8.265E+02 2.41 5.285E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H4O2H = C2H5O2 1.203E+36 -8.13 2.702E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H5O2 = CH3CHO+OH 2.520E+41 -10.20 4.371E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H5O2 = C2H4+HO2 1.815E+38 -8.45 3.789E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H5O2 = C2H4O1-2+OH 4.000E+43 -10.46 4.558E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H4O2H = C2H4O1-2+OH 8.848E+30 -6.08 2.066E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H4O2H = C2H4+HO2 3.980E+34 -7.25 2.325E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM C2H5 CHEMISTRY FROM DE SAIN ET AL. -//J. PHYS. CHEM. A. 2003 107:4415-4427. -//AT 10 ATM -C2H4O2H = CH3CHO+OH 1.188E+34 -9.02 2.921E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM LIFSHITZ ET AL. 1983 -C2H4O1-2 = CH3+HCO 3.630E+13 0.00 5.720E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -C2H4O1-2 = CH3CHO 7.407E+12 0.00 5.380E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BALDWIN ET AL. 1984. -C2H4O1-2+OH = C2H3O1-2+H2O 1.780E+13 0.00 3.610E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BALDWIN ET AL. 1984. -C2H4O1-2+H = C2H3O1-2+H2 8.000E+13 0.00 9.680E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN, ANALOGY TO ETHENE -C2H4O1-2+HO2 = C2H3O1-2+H2O2 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN, ANALOGY TO ETHENE -C2H4O1-2+CH3O2 = C2H3O1-2+CH3O2H 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN, ANALOGY TO ETHENE -C2H4O1-2+C2H5O2 = C2H3O1-2+C2H5O2H 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BALDWIN, KEEN AND WALKER, -//J. CHEM. SOC. FARADAY TRANS. 1, 80, 435 (1984). -C2H4O1-2+CH3 = C2H3O1-2+CH4 1.070E+12 0.00 1.183E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H4O1-2+CH3O = C2H3O1-2+CH3OH 1.200E+11 0.00 6.750E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BALDWIN, KEEN AND WALKER, -//J. CHEM. SOC. FARADAY TRANS. 1, 80, 435 (1984). -C2H3O1-2 = CH3CO 8.500E+14 0.00 1.400E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BALDWIN, KEEN AND WALKER, -//J. CHEM. SOC. FARADAY TRANS. 1, 80, 435 (1984). -C2H3O1-2 = CH2CHO 1.000E+14 0.00 1.400E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN ESTIMATE -CH3+HCO = CH3CHO 1.750E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM WHYSTOCK ET AL. 1976. -CH3CHO+H = CH3CO+H2 1.110E+13 0.00 3.110E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -CH3CHO+O = CH3CO+OH 5.940E+12 0.00 1.868E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TAYLOR ET AL. 1996. -CH3CHO+OH = CH3CO+H2O 2.000E+06 1.80 1.300E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992. -CH3CHO+O2 = CH3CO+HO2 3.010E+13 0.00 3.915E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -CH3CHO+CH3 = CH3CO+CH4 1.760E+03 2.79 4.950E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992. -CH3CHO+HO2 = CH3CO+H2O2 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992. -CH3O2+CH3CHO = CH3O2H+CH3CO 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992. -//ANALOGY TO CH3CHO+CH3O2 -CH3CHO+CH3CO3 = CH3CO+CH3CO3H 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//WKM -//REACTION AND RATE TAKEN FROM NUIG BUT NAMING SCHEME CHANGED -//HOCHO CHANGED TO HCOOH - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TAYLOR ET AL. 1996. -CH3CHO+OH = CH3+HCOOH 3.000E+15 -1.08 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TAYLOR ET AL. 1996. -CH3CHO+OH = CH2CHO+H2O 1.720E+05 2.40 8.150E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -CH3CO+H = CH2CO+H2 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -CH3CO+O = CH2CO+OH 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -CH3CO+CH3 = CH2CO+CH4 5.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3CO+O2 = CH3CO3 1.200E+11 0.00 -1.100E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3CO3+HO2 = CH3CO3H+O2 1.750E+10 0.00 -3.275E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -H2O2+CH3CO3 = HO2+CH3CO3H 2.410E+12 0.00 9.936E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH4+CH3CO3 = CH3+CH3CO3H 1.810E+11 0.00 1.848E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -//ANALOGY WITH CH3O2 + CH2O -CH2O+CH3CO3 = HCO+CH3CO3H 1.990E+12 0.00 1.166E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN -//ANALOGY TO C2H6+HO2 -C2H6+CH3CO3 = C2H5+CH3CO3H 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 -//REV/ 1.450E+12 0.04 9.460E+03 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SAHETCHIAN ET AL. 1992 -CH3CO3H = CH3CO2+OH 5.010E+14 0.00 4.015E+04 0.0 0.0 0.0 -//REV/ 3.618E+07 1.76 1.338E+03 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2CO + H = CH2CHO 5.000E+13 0.00 1.230E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992 -CH2CHO+O2 = CH2O+CO+OH 2.000E+13 0.00 4.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM WARNATZ, J., UNPUBLISHED -CH2CO+H = CH3+CO 1.100E+13 0.00 3.400E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2CO+H = HCCO+H2 2.000E+14 0.00 8.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2CO+O = CH2+CO2 1.750E+12 0.00 1.350E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2CO+O = HCCO+OH 1.000E+13 0.00 8.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2CO+OH = HCCO+H2O 1.000E+13 0.00 2.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2CO+OH = CH2OH+CO 2.000E+12 0.00 -1.010E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2(S)+CH2CO = C2H4+CO 1.600E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -HCCO+OH = H2+CO+CO 1.000E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -H+HCCO = CH2(S)+CO 1.100E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -HCCO+O = H+CO+CO 8.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM HIDAKA ?? -HCCO+O2 = OH+CO+CO 4.200E+10 0.00 8.500E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SMITH ET AL., GRI MECH 2.11 -CH+CH2O = H+CH2CO 9.460E+13 0.00 -5.150E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SMITH ET AL., GRI MECH 2.11 -CH+HCCO = CO+C2H2 5.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM KNYAZEV,V.D.; BENCSURA,A.; STOLIAROV,S.I.; SLAGLE,I.R. -//J. PHYS. CHEM. 100, 11346-1135 (1996) -C2H4+H = C2H3+H2 5.070E+07 1.93 1.295E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH ET AL. 2005 -C2H4+O = CH3+HCO 8.564E+06 1.88 1.830E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH ET AL. 2005 -C2H4+O = CH2CHO+H 4.986E+06 1.88 1.830E+02 0.0 0.0 0.0 - -//FROM LI DME PAPER -C2H4+OH = C2H3+H2O 1.800E+06 2.00 2.500E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG -C2H4+CH3 = C2H3+CH4 6.620E+00 3.70 9.500E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H4+O2 = C2H3+HO2 4.000E+13 0.00 5.820E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -C2H4+CH3O = C2H3+CH3OH 1.200E+11 0.00 6.750E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992 -//ANALOGY TO C2H4+HO2 -C2H4+CH3O2 = C2H3+CH3O2H 2.230E+12 0.00 1.719E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992 -//ANALOGY TO C2H4+HO2 -C2H4+C2H5O2 = C2H3+C2H5O2H 2.230E+12 0.00 1.719E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H4+CH3CO3 = C2H3+CH3CO3H 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H4+CH3O2 = C2H4O1-2+CH3O 2.820E+12 0.00 1.711E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H4+C2H5O2 = C2H4O1-2+C2H5O 2.820E+12 0.00 1.711E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H4+HO2 = C2H4O1-2+OH 2.230E+12 0.00 1.719E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM BUTLER, FLEMING, GOSS, LIN, ACS SYMP. SER. 134 (1980) -CH+CH4 = C2H4+H 6.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//WKM -//FROM GRI MECH 3.0 -C2H3+O2 = HCO+CH2O 4.580E+16 -1.39 1.015E+03 0.0 0.0 0.0 - -//WKM -//FROM GRI MECH 3.0 -C2H3+O2 = HO2+C2H2 1.337E+06 1.61 -3.840E+02 0.0 0.0 0.0 - -//WKM -// WANG ET AL. EASTERN ESTATES MEETING COMBUSTION INSTITUTE, PAPER 129 (1999) -C2H3+O2 = O+CH2CHO 1.000E+11 0.29 1.100E+01 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3+C2H3 = CH4+C2H2 3.920E+11 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H3+H = C2H2+H2 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H3+OH = C2H2+H2O 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H2+O2 = HCCO+OH 2.000E+08 1.50 3.010E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -O+C2H2 = C2H+OH 4.600E+19 -1.40 2.895E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H2+O = CH2+CO 6.940E+06 2.00 1.900E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H2+O = HCCO+H 1.350E+07 2.00 1.900E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H2+OH = C2H+H2O 3.370E+07 2.00 1.400E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H2+OH = CH2CO+H 3.236E+13 0.00 1.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -C2H2+OH = CH3+CO 4.830E-04 4.00 -2.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GRI MECH 3.0 -OH+C2H2 = H+HCCOH 5.040E+05 2.30 1.350E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SMITH ET AL., GRI MECH 2.11 -H+HCCOH = H+CH2CO 1.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+O2 = PC2H4OH+HO2 2.000E+13 0.00 5.280E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+O2 = SC2H4OH+HO2 1.500E+13 0.00 5.015E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH+OH = PC2H4OH+H2O 1.740E+11 0.27 6.000E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH+OH = SC2H4OH+H2O 4.640E+11 0.15 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH+OH = C2H5O+H2O 7.460E+11 0.30 1.634E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH+H = PC2H4OH+H2 1.230E+07 1.80 5.098E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH+H = SC2H4OH+H2 2.580E+07 1.65 2.827E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH+H = C2H5O+H2 1.500E+07 1.60 3.038E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH+HO2 = PC2H4OH+H2O2 1.230E+04 2.55 1.575E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH+HO2 = SC2H4OH+H2O2 8.200E+03 2.55 1.075E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -C2H5OH+HO2 = C2H5O+H2O2 2.500E+12 0.00 2.400E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -//ANOLOGY TO C2H5OH+HO2 -C2H5OH+CH3O2 = PC2H4OH+CH3O2H 1.230E+04 2.55 1.575E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -//ANOLOGY TO C2H5OH+HO2 -C2H5OH+CH3O2 = SC2H4OH+CH3O2H 8.200E+03 2.55 1.075E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -//ANOLOGY TO C2H5OH+HO2 -C2H5OH+CH3O2 = C2H5O+CH3O2H 2.500E+12 0.00 2.400E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+O = PC2H4OH+OH 9.410E+07 1.70 5.459E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+O = SC2H4OH+OH 1.880E+07 1.85 1.824E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+O = C2H5O+OH 1.580E+07 2.00 4.448E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+CH3 = PC2H4OH+CH4 1.330E+02 3.18 9.362E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+CH3 = SC2H4OH+CH4 4.440E+02 2.90 7.690E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5OH+CH3 = C2H5O+CH4 1.340E+02 2.92 7.452E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN ESTIMATE -//1/2 OF C4H10+C2H5 -C2H5OH+C2H5 = PC2H4OH+C2H6 5.000E+10 0.00 1.340E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM CURRAN ESTIMATE -C2H5OH+C2H5 = SC2H4OH+C2H6 5.000E+10 0.00 1.040E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -C2H4+OH = PC2H4OH 4.170E+20 -2.84 1.240E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM NICK MARINOV -//IJCK 31: 183 220, 1999 -SC2H4OH+M = CH3CHO+H+M 1.000E+14 0.00 2.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -//BASED ON C3H6OH+O2 REACTION -O2C2H4OH = PC2H4OH+O2 3.900E+16 -1.00 3.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -O2C2H4OH = OH+CH2O+CH2O 3.125E+09 0.00 1.890E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -//ANALOGY TO CH2OH+O2 -SC2H4OH+O2 = CH3CHO+HO2 3.810E+06 2.00 1.641E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH3+OH = CH3COCH2+H2O 1.250E+05 2.48 4.450E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH3COCH3+H = CH3COCH2+H2 9.800E+05 2.43 5.160E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -CH3COCH3+O = CH3COCH2+OH 5.130E+11 0.21 4.890E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH3+CH3 = CH3COCH2+CH4 3.960E+11 0.00 9.784E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH3COCH3+CH3O = CH3COCH2+CH3OH 4.340E+11 0.00 6.460E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH3+O2 = CH3COCH2+HO2 6.030E+13 0.00 4.850E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO ETHANE -CH3COCH3+HO2 = CH3COCH2+H2O2 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 -//REV/ 6.397E+14 -0.75 1.383E+04 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO ETHANE -CH3COCH3+CH3O2 = CH3COCH2+CH3O2H 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO PROPANE -CH3COCH2 = CH2CO+CH3 1.000E+14 0.00 3.100E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH2+O2 = CH3COCH2O2 1.200E+11 0.00 -1.100E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -CH3COCH3+CH3COCH2O2 = CH3COCH2+CH3COCH2O2H 1.000E+11 0.00 5.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -CH2O+CH3COCH2O2 = HCO+CH3COCH2O2H 1.288E+11 0.00 9.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -HO2+CH3COCH2O2 = CH3COCH2O2H+O2 1.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH2O2H = CH3COCH2O+OH 1.000E+16 0.00 4.300E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3CO+CH2O = CH3COCH2O 1.000E+11 0.00 1.190E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H3+HCO = C2H3CHO 1.810E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H3CHO+H = C2H3CO+H2 1.340E+13 0.00 3.300E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H3CHO+O = C2H3CO+OH 5.940E+12 0.00 1.868E+03 0.0 0.0 0.0 - -//MARINOV ET AL. COMBUST SCI TECH 116:211 1996 -C2H3CHO+H = C2H4+HCO 2.0E+13 0.0 3500.0 0.0 0.0 0.0 - -//MARINOV ET AL. COMBUST SCI TECH 116:211 1996 -C2H3CHO+O = CH2CO+HCO+H 5.0E+7 1.76 76.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TAYLOR ET AL. 1996. -//ANALOGY WITH CH3CHO+OH -C2H3CHO+OH = C2H3CO+H2O 9.240E+06 1.50 -9.620E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H3CHO+O2 = C2H3CO+HO2 1.005E+13 0.00 4.070E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BASED ON CH3CHO+HO2 -C2H3CHO+HO2 = C2H3CO+H2O2 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BASED ON CH3CHO+CH3 -C2H3CHO+CH3 = C2H3CO+CH4 2.608E+06 1.78 5.911E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE. -C2H3CHO+C2H3 = C2H3CO+C2H4 1.740E+12 0.00 8.440E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH CH3CHO + CH3O -C2H3CHO+CH3O = C2H3CO+CH3OH 1.000E+12 0.00 3.300E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BASED ON CH3CHO + HO2 -C2H3CHO+CH3O2 = C2H3CO+CH3O2H 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -C2H3+CO = C2H3CO 1.510E+11 0.00 4.810E+03 0.0 0.0 0.0 - -//ALZUETA & GLARBORG IJCK 32: 498-522, 2000. -//PRIVATE COMMUNICATION WITH BOZZELLI (ZHONG'S THESIS) -C2H3CO+O2 = CH2CHO+CO2 5.4E20 -2.72 7000.0 0.0 0.0 0.0 - -//MARINOV ET AL. COMBUST SCI TECH 116:211 1996 -C2H3CO+O = C2H3+CO2 1.0E14 0.0 0.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5+HCO = C2H5CHO 1.810E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH CH3CHO + H -C2H5CHO+H = C2H5CO+H2 4.000E+13 0.00 4.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH CH3CHO + O -C2H5CHO+O = C2H5CO+OH 5.000E+12 0.00 1.790E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H5CHO+OH = C2H5CO+H2O 2.690E+10 0.76 -3.400E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -C2H5CHO+CH3 = C2H5CO+CH4 2.608E+06 1.78 5.911E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH CH3CHO + HO2 -C2H5CHO+HO2 = C2H5CO+H2O2 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH CH3CHO + CH3O -C2H5CHO+CH3O = C2H5CO+CH3OH 1.000E+12 0.00 3.300E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH CH3CHO + HO2 -C2H5CHO+CH3O2 = C2H5CO+CH3O2H 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ACETALDEHYDE ANALOG -C2H5CHO+C2H5 = C2H5CO+C2H6 1.000E+12 0.00 8.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ACETALDEHYDE ANALOG -C2H5CHO+C2H5O = C2H5CO+C2H5OH 6.026E+11 0.00 3.300E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BASED ON CH3CHO + HO2 -C2H5CHO+C2H5O2 = C2H5CO+C2H5O2H 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H5CHO+O2 = C2H5CO+HO2 1.005E+13 0.00 4.070E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BASED ON CH3CHO + HO2 -C2H5CHO+CH3CO3 = C2H5CO+CH3CO3H 3.010E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -C2H5CHO+C2H3 = C2H5CO+C2H4 1.700E+12 0.00 8.440E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5+CO = C2H5CO 1.510E+11 0.00 4.810E+03 0.0 0.0 0.0 - -//NEW DME RATE CONSTANTS FROM CURRAN. -//PRIVATE COMMUNICATION -CH3OCH3+OH <=> CH3OCH2+H2O 9.350E+05 2.290 -7.810E+02 0.0 0.0 0.0 - -//NEW DME RATE CONSTANTS FROM CURRAN. -//PRIVATE COMMUNICATION -CH3OCH3+H <=> CH3OCH2+H2 3.612E+04 2.880 2.996E+03 0.0 0.0 0.0 - -//NEW DME RATE CONSTANTS FROM CURRAN. -//PRIVATE COMMUNICATION -CH3OCH3+O <=> CH3OCH2+OH 7.750E+08 1.360 2.250E+03 0.0 0.0 0.0 - -//NEW DME RATE CONSTANTS FROM CURRAN. -//PRIVATE COMMUNICATION -CH3OCH3+HO2 <=> CH3OCH2+H2O2 1.344E+13 0.000 1.769E+04 0.0 0.0 0.0 - -//NEW DME RATE CONSTANTS FROM CURRAN. -//PRIVATE COMMUNICATION -CH3OCH3+CH3O2 <=> CH3OCH2+CH3O2H 1.344E+13 0.000 1.769E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH3+CH3 = CH3OCH2+CH4 1.445E-06 5.73 5.699E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH3+O2 = CH3OCH2+HO2 4.100E+13 0.00 4.491E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH3OCH3+CH3O = CH3OCH2+CH3OH 6.020E+11 0.00 4.074E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH3+CH3OCH2O2 = CH3OCH2+CH3OCH2O2H 5.000E+12 0.00 1.769E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH3+O2CHO = CH3OCH2+HO2CHO 4.425E+04 2.60 1.391E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH3+OCHO = CH3OCH2+HCOOH 1.000E+13 0.00 1.769E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH2 = CH2O+CH3 1.600E+13 0.00 2.550E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH3OCH2+CH3O = CH3OCH3+CH2O 2.410E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH2+CH2O = CH3OCH3+HCO 5.490E+03 2.80 5.862E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH3OCH2+CH3CHO = CH3OCH3+CH3CO 1.260E+12 0.00 8.499E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH2+O2 = CH3OCH2O2 2.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//1/2 TSANG/HAMPSON CH3O2 + CH2O = CH3O2H + HCO -CH3OCH2O2+CH2O = CH3OCH2O2H+HCO 1.000E+12 0.00 1.166E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH3OCH2O2+CH3CHO = CH3OCH2O2H+CH3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH2O2+CH3OCH2O2 = O2+CH3OCH2O+CH3OCH2O 2.210E+23 -4.50 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH2O+OH = CH3OCH2O2H 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3O+CH2O = CH3OCH2O 1.000E+11 0.00 1.190E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -//CH3OCH2O+O2 = CH3OCHO+HO2 5.000E+10 0.00 5.000E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CH3OCHO+H = CH3OCH2O 1.000E+13 0.00 7.838E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3OCH2O2 = CH2OCH2O2H 6.000E+10 0.00 2.158E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2OCH2O2H = OH+CH2O+CH2O 1.500E+13 0.00 2.076E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2OCH2O2H+O2 = O2CH2OCH2O2H 7.000E+11 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -O2CH2OCH2O2H = HO2CH2OCHO+OH 4.000E+10 0.00 1.858E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HO2CH2OCHO = OCH2OCHO+OH 2.000E+16 0.00 4.050E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CH2O+OCHO = OCH2OCHO 1.250E+11 0.00 1.190E+04 - -//OCH2OCHO = HOCH2OCO 1.000E+11 0.00 1.400E+04 -//REV/ 1.568E+09 0.49 2.067E+04 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HOCH2O+CO = HOCH2OCO 1.500E+11 0.00 4.800E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CH2OH+CO2 = HOCH2OCO 1.500E+11 0.00 3.572E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FISHER, E.M., PITZ, W.J., CURRAN, H.J., -//WESTBROOK, C.K., PROC. COMB. INST., VOL. 28, 2000. -//CH2OCHO+H = CH3OCHO 1.000E+14 0.00 0.000E+00 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FISHER, E.M., PITZ, W.J., CURRAN, H.J., -//WESTBROOK, C.K., PROC. COMB. INST., VOL. 28, 2000. -//CH3OCO+H = CH3OCHO 1.000E+14 0.00 0.000E+00 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -//CH3OCHO(+M) = CH3OH+CO(+M) 1.000E+14 0.00 6.250E+04 -//LOW / 6.1430E+60 -1.2070E+01 7.5400E+04 / -//TROE / 7.8000E-01 8.2800E+09 4.3890E+02 6.7000E+08 / //TROE FALL-OFF REACTION - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FISHER, E.M., PITZ, W.J., CURRAN, H.J., -//WESTBROOK, C.K., PROC. COMB. INST., VOL. 28, 2000. -//CH3O+HCO = CH3OCHO 3.000E+13 0.00 0.000E+00 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -//CH3+OCHO = CH3OCHO 1.000E+13 0.00 0.000E+00 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -//CH3OCHO+O2 = CH3OCO+HO2 1.000E+13 0.00 4.970E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -//CH3OCHO+O2 = CH2OCHO+HO2 2.050E+13 0.00 5.200E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANOLOGY TO PROPANE -//CH3OCHO+OH = CH3OCO+H2O 1.580E+07 1.80 9.340E+02 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANOLOGY TO PROPANE -//CH3OCHO+OH = CH2OCHO+H2O 5.270E+09 0.97 1.586E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE TSANG '88 PRIMARY H -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -//CH3OCHO+HO2 = CH3OCO+H2O2 4.820E+03 2.60 1.391E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE TSANG '88 SECONDARY H -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -//CH3OCHO+HO2 = CH2OCHO+H2O2 2.380E+04 2.55 1.649E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//NIST FIT TO TSANG 88 -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -//CH3OCHO+O = CH3OCO+OH 2.755E+05 2.45 2.830E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//NIST FIT TO COHEN/WESTBERG 86 -//CH3OCHO+O = CH2OCHO+OH 9.800E+05 2.43 4.750E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//1/2 TSANG'S C3H8+H -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -//CH3OCHO+H = CH3OCO+H2 6.500E+05 2.40 4.471E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//1/2 TSANG'S C3H8+H -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -//CH3OCHO+H = CH2OCHO+H2 6.650E+05 2.54 6.756E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG '88 C3H8 + CH3 = IC3H7 + CH4 -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -//CH3OCHO+CH3 = CH3OCO+CH4 7.550E-01 3.46 5.481E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG '88 C3H8 + CH3 = NC3H7 + CH4 -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -//CH3OCHO+CH3 = CH2OCHO+CH4 4.520E-01 3.65 7.154E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -//CH3OCHO+CH3O = CH3OCO+CH3OH 5.480E+11 0.00 5.000E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -//CH3OCHO+CH3O = CH2OCHO+CH3OH 2.170E+11 0.00 6.458E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CH3OCHO+CH3O2 = CH3OCO+CH3O2H 4.820E+03 2.60 1.391E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CH3OCHO+CH3O2 = CH2OCHO+CH3O2H 2.380E+04 2.55 1.649E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG '88 C3H8 + HCO -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -//CH3OCHO+HCO = CH3OCO+CH2O 5.400E+06 1.90 1.701E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG '88 C3H8 + HCO -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -//CH3OCHO+HCO = CH2OCHO+CH2O 1.025E+05 2.50 1.843E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FISHER, E.M., PITZ, W.J., CURRAN, H.J., -//WESTBROOK, C.K., PROC. COMB. INST., VOL. 28, 2000. -//CH3OCO = CH2OCHO 1.629E+12 -0.18 4.067E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PIERRE GLAUDE'S RATES -//CH3+CO2 = CH3OCO 4.760E+07 1.54 3.470E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PIERRE GLAUDE'S RATES -//CH3O+CO = CH3OCO 1.550E+06 2.02 5.730E+03 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -//CH2O+HCO = CH2OCHO 1.500E+11 0.00 1.190E+04 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ESTIMATE -NC3H7+H = C3H8 1.000E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ESTIMATE -IC3H7+H = C3H8 1.000E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H8+O2 = IC3H7+HO2 2.000E+13 0.00 4.964E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H8+O2 = NC3H7+HO2 6.000E+13 0.00 5.229E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -H+C3H8 = H2+IC3H7 1.300E+06 2.40 4.471E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -H+C3H8 = H2+NC3H7 1.330E+06 2.54 6.756E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H8+O = IC3H7+OH 5.490E+05 2.50 3.140E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H8+O = NC3H7+OH 3.710E+06 2.40 5.505E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H8+OH = NC3H7+H2O 1.054E+10 0.97 1.586E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H8+OH = IC3H7+H2O 4.670E+07 1.61 -3.500E+01 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.2) -C3H8+HO2 = IC3H7+H2O2 5.880E+04 2.50 1.486E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.5) -C3H8+HO2 = NC3H7+H2O2 8.100E+04 2.50 1.669E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FIT TO DATA ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -CH3+C3H8 = CH4+IC3H7 6.400E+04 2.17 7.520E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -CH3+C3H8 = CH4+NC3H7 9.040E-01 3.65 7.154E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM HAUTMAN, D. J., SANTORO, R. J., DRYER, F. L., -//AND GLASSMAN, I., TO BE PUBLISHED. -IC3H7+C3H8 = NC3H7+C3H8 3.000E+10 0.00 1.290E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM HAUTMAN, D. J., SANTORO, R. J., DRYER, F. L., -//AND GLASSMAN, I., TO BE PUBLISHED. -C2H3+C3H8 = C2H4+IC3H7 1.000E+11 0.00 1.040E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM HAUTMAN, D. J., SANTORO, R. J., DRYER, F. L., -//AND GLASSMAN, I., TO BE PUBLISHED. -C2H3+C3H8 = C2H4+NC3H7 1.000E+11 0.00 1.040E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM HAUTMAN, D. J., SANTORO, R. J., DRYER, F. L., -//AND GLASSMAN, I., TO BE PUBLISHED. -C2H5+C3H8 = C2H6+IC3H7 1.000E+11 0.00 1.040E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM HAUTMAN, D. J., SANTORO, R. J., DRYER, F. L., -//AND GLASSMAN, I., TO BE PUBLISHED. -C2H5+C3H8 = C2H6+NC3H7 1.000E+11 0.00 1.040E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//CST 71, 111(1990) -C3H8+C3H5-A = NC3H7+C3H6 7.940E+11 0.00 2.050E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//CST 71, 111(1990) -C3H8+C3H5-A = IC3H7+C3H6 7.940E+11 0.00 1.620E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FRED DRYER ESTIMATE -C3H8+CH3O = NC3H7+CH3OH 3.000E+11 0.00 7.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FRED DRYER ESTIMATE -C3H8+CH3O = IC3H7+CH3OH 3.000E+11 0.00 7.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.5) -CH3O2+C3H8 = CH3O2H+NC3H7 8.100E+04 2.50 1.669E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.2) -CH3O2+C3H8 = CH3O2H+IC3H7 5.880E+04 2.50 1.486E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.5) -C2H5O2+C3H8 = C2H5O2H+NC3H7 8.100E+04 2.50 1.669E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.2) -C2H5O2+C3H8 = C2H5O2H+IC3H7 5.880E+04 2.50 1.486E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANAOLGY TO C2H6+HO2 -NC3H7O2+C3H8 = NC3H7O2H+NC3H7 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM WALKER, R. W., REACTION KINETICS, -//VOL. 1, S. P. R. CHEMICAL SOCIETY, 1975 -NC3H7O2+C3H8 = NC3H7O2H+IC3H7 2.000E+12 0.00 1.700E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANAOLGY TO C2H6+HO2 -IC3H7O2+C3H8 = IC3H7O2H+NC3H7 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM WALKER, R. W., REACTION KINETICS, -//VOL. 1, S. P. R. CHEMICAL SOCIETY, 1975 -IC3H7O2+C3H8 = IC3H7O2H+IC3H7 2.000E+12 0.00 1.700E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM WALKER, R. W., REACTION KINETICS, -//VOL. 1, S. P. R. CHEMICAL SOCIETY, 1975 -C3H8+CH3CO3 = IC3H7+CH3CO3H 2.000E+12 0.00 1.700E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANAOLGY TO C2H6+HO2 -C3H8+CH3CO3 = NC3H7+CH3CO3H 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 -//REV/ 1.673E+12 -0.01 9.570E+03 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANAOLGY TO C2H6+HO2 -C3H8+O2CHO = NC3H7+HO2CHO 5.520E+04 2.55 1.648E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANAOLGY TO C2H6+HO2 -C3H8+O2CHO = IC3H7+HO2CHO 1.475E+04 2.60 1.391E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -H+C3H6 = IC3H7 2.640E+13 0.00 2.160E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7+H = C2H5+CH3 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -IC3H7+O2 = C3H6+HO2 4.500E-19 0.00 5.020E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -IC3H7+OH = C3H6+H2O 2.410E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -IC3H7+O = CH3COCH3+H 4.818E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -IC3H7+O = CH3CHO+CH3 4.818E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7 = CH3+C2H4 9.970E+40 -8.60 4.143E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7 = H+C3H6 8.780E+39 -8.10 4.658E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -NC3H7+O2 = C3H6+HO2 3.000E-19 0.00 3.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -C2H5CHO+NC3H7 = C2H5CO+C3H8 1.700E+12 0.00 8.440E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -C2H5CHO+IC3H7 = C2H5CO+C3H8 1.700E+12 0.00 8.440E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -C2H5CHO+C3H5-A = C2H5CO+C3H6 1.700E+12 0.00 8.440E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6 = C3H5-S+H 7.710E+69 -16.09 1.400E+05 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6 = C3H5-T+H 5.620E+71 -16.58 1.393E+05 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM KOERT ET AL. ENERGY & FUELS -//VOL 6: 485-493 1992 -C3H6+O = C2H5+HCO 1.580E+07 1.76 -1.216E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM KOERT ET AL. ENERGY & FUELS -//VOL 6: 485-493 1992 -C3H6+O = CH2CO+CH3+H 2.500E+07 1.76 7.600E+01 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM KOERT ET AL. ENERGY & FUELS -//VOL 6: 485-493 1992 -C3H6+O = CH3CHCO+H+H 2.500E+07 1.76 7.600E+01 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM KOERT ET AL. ENERGY & FUELS -//VOL 6: 485-493 1992 -C3H6+O = C3H5-A+OH 5.240E+11 0.70 5.884E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM KOERT ET AL. ENERGY & FUELS -//VOL 6: 485-493 1992 -C3H6+O = C3H5-S+OH 1.200E+11 0.70 8.959E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM KOERT ET AL. ENERGY & FUELS -//VOL 6: 485-493 1992 -C3H6+O = C3H5-T+OH 6.030E+10 0.70 7.632E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+OH = C3H5-A+H2O 3.120E+06 2.00 -2.980E+02 0.0 0.0 0.0 -//REV/ 1.347E+07 1.91 3.027E+04 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+OH = C3H5-S+H2O 2.110E+06 2.00 2.778E+03 0.0 0.0 0.0 -//REV/ 2.968E+04 2.39 9.916E+03 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+OH = C3H5-T+H2O 1.110E+06 2.00 1.451E+03 0.0 0.0 0.0 -//REV/ 3.576E+03 2.59 1.070E+04 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 -C3H6+HO2 = C3H5-A+H2O2 2.700E+04 2.50 1.234E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 -C3H6+HO2 = C3H5-S+H2O2 1.800E+04 2.50 2.762E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 -C3H6+HO2 = C3H5-T+H2O2 9.000E+03 2.50 2.359E+04 0.0 0.0 0.0 - -//LASKIN ET AL IJCK 32 589-614 2000 -C3H6+H = C3H5-A+H2 1.73E+05 2.50 2490.0 0.0 0.0 0.0 - -//LASKIN ET AL IJCK 32 589-614 2000 -C3H6+H = C3H5-T+H2 4.00E+05 2.50 9790.0 0.0 0.0 0.0 - -//LASKIN ET AL IJCK 32 589-614 2000 -C3H6+H = C3H5-S+H2 8.04E+05 2.50 12283.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+O2 = C3H5-A+HO2 4.000E+12 0.00 3.990E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+O2 = C3H5-S+HO2 2.000E+12 0.00 6.290E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+O2 = C3H5-T+HO2 1.400E+12 0.00 6.070E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -C3H6+CH3 = C3H5-A+CH4 2.210E+00 3.50 5.675E+03 0.0 0.0 0.0 -//REV/ 8.184E+02 3.07 2.289E+04 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -C3H6+CH3 = C3H5-S+CH4 1.348E+00 3.50 1.285E+04 0.0 0.0 0.0 -//REV/ 1.626E+00 3.55 6.635E+03 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -C3H6+CH3 = C3H5-T+CH4 8.400E-01 3.50 1.166E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA, D. L. AND SHAW, R., -//J. PHYS. CHEM. REF. DATA 9, 523 (1980) -C3H6+C2H5 = C3H5-A+C2H6 1.000E+11 0.00 9.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -C3H6+CH3CO3 = C3H5-A+CH3CO3H 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -C3H6+CH3O2 = C3H5-A+CH3O2H 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+HO2 = C3H6O1-2+OH 1.290E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -C3H6+C2H5O2 = C3H5-A+C2H5O2H 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -C3H6+NC3H7O2 = C3H5-A+NC3H7O2H 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -C3H6+IC3H7O2 = C3H5-A+IC3H7O2H 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -C3H6+OH = C3H6OH 9.930E+11 0.00 -9.600E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WILK, CERNANSKY, PITZ, AND WESTBROOK, C&F 1988. -C3H6OH+O2 = HOC3H6O2 1.200E+11 0.00 -1.100E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -HOC3H6O2 = CH3CHO+CH2O+OH 1.250E+10 0.00 1.890E+04 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-A+H = C3H4-A+H2 1.80E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-A+O = C2H3CHO+H 6.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-A+OH = C3H4-A+H2O 6.00E+12 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-A+HCO = C3H6+CO 6.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-A+CH3 = C3H4-A+CH4 3.00E+12 -0.32 -131.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -C3H5-A+CH3O2 = C3H5O+CH3O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//CST 71, 111(1990) -C3H5-A+C2H5 = C2H6+C3H4-A 4.000E+11 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//CST 71, 111(1990) -C3H5-A+C2H5 = C2H4+C3H6 4.000E+11 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//CST 71, 111(1990) -C3H5-A+C2H3 = C2H4+C3H4-A 1.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//WANG -//J. PHYS. CHEM. REF. DATA 20, 221-273, (1991) -C3H5-A+C3H5-A = C3H4-A+C3H6 8.43E+10 0.0 -262.0 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230 (2005) -//C3H5-A+C2H2 = C*CCJC*C 1.0E+12 0.0 6883.4 - -//ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230 (2005) -//C3H5-A+C2H3 = C5H6+H+H 1.6E+35 -14.0 61137.7 - -//ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230 (2005) -//C3H5-A+C3H3 = C6H6+H+H 5.6E+20 -2.54 1696.9 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -C3H5-A+HO2 = C3H5O+OH 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+H = C3H4-P+H2 3.34E+12 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+O = C2H4+HCO 6.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+OH = C2H4+HCO+H 5.00E+12 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+O2 = CH3CHO+HCO 1.00E+11 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+HO2 = C2H4+HCO+OH 2.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+HCO = C3H6+CO 9.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-S+CH3 = C3H4-P+CH4 1.00E+11 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+H = C3H4-P+H2 3.34E+12 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+O = CH3+CH2CO 6.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+OH = CH3+CH2CO+H 5.00E+12 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+O2 = CH3CO+CH2O 1.00E+11 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+HO2 = CH3+CH2CO+OH 2.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+HCO = C3H6+CO 9.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H5-T+CH3 = C3H4-P+CH4 1.00E+11 0.0 0.0 0.0 0.0 0.0 - - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-A+H = C3H3+H2 1.30E+06 2.0 5500.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-A+O = C2H4+CO 2.00E+07 1.8 1000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-A+OH = C3H3+H2O 5.30E+06 2.0 2000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-A+CH3 = C3H3+CH4 1.30E+12 0.0 7700.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-A+C2H = C2H2+C3H3 1.00E+13 0.0 0.0 0.0 0.0 0.0 - -//ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230 (2005) -C3H4-A+C3H4-A = C3H5-A+C3H3 5.0E+14 0.0 64746.7 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//CST 71, 111(1990) -C3H4-A+C3H5-A = C3H3+C3H6 2.000E+11 0.00 7.700E+03 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230 (2005) -//C3H4-A+C3H3 = C6H6+H 1.4E+12 0.0 9990.4 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+H = C3H3+H2 1.30E+06 2.0 5500.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+C3H3 = C3H4-A+C3H3 6.14E+06 1.74 10450.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+O = HCCO+CH3 0.73E+13 0.0 2250.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+O = C2H4+CO 1.00E+13 0.0 2250.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+OH = C3H3+H2O 1.00E+06 2.0 100.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+C2H = C2H2+C3H3 1.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H4-P+CH3 = C3H3+CH4 1.80E+12 0.0 7700.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//CST 71, 111(1990) -C3H4-P+C2H3 = C3H3+C2H4 1.000E+12 0.00 7.700E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM DAGAUT, P, CATHONNET, M., AND BOETTNER, J-C, -//CST 71, 111(1990) -C3H4-P+C3H5-A = C3H3+C3H6 1.000E+12 0.00 7.700E+03 0.0 0.0 0.0 - - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+H = C3H4-P 1.500E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+H = C3H4-A 2.500E+12 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+H = C3H2+H2 5.00E+13 0.0 1000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+O = CH2O+C2H 2.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+OH = C3H2+H2O 2.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+O2 = CH2CO+HCO 3.00E+10 0.0 2868.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+HO2 = OH+CO+C2H3 8.00E+11 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+HO2 = C3H4-A+O2 3.00E+11 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+HO2 = C3H4-P+O2 2.50E+12 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+HCO = C3H4-A+CO 2.50E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+HCO = C3H4-P+CO 2.50E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+HCCO = C4H4+CO 2.50E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+CH = C4H3-I+H 5.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H3+CH2 = C4H4+H 5.00E+13 0.0 0.0 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//LASKIN ET AL. IJCK 32 589-614 2000 -//C3H3+C3H3 = C6H5+H 5.000E+12 0.0 0.0 -//C3H3+C3H3 = C6H6 2.000E+12 0.0 0.0 -//C3H3+C4H6 = C6H5CH3+H 6.53E+5 1.28 -4611.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5+C2H = C3H3+CH3 1.810E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H2+H = C3H3 1.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H2+O = C2H2+CO 6.80E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H2+OH = HCO+C2H2 6.80E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H2+O2 = HCCO+H+CO 2.00E+12 0.0 1000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H2+CH = C4H2+H 5.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H2+CH2 = C4H3-N+H 5.00E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H2+CH3 = C4H4+H 5.00E+12 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C3H2+HCCO = C4H3-N+CO 1.00E+13 0.0 0.0 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//LASKIN ET AL. IJCK 32 589-614 2000 -//C3H2+C3H3 = C6H5 7.00E+12 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H2+O2 = HCO+HCCO 5.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH3CHCO+OH = C2H5+CO2 1.730E+12 0.00 -1.010E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH3CHCO+OH = SC2H4OH+CO 2.000E+12 0.00 -1.010E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH3CHCO+H = C2H5+CO 4.400E+12 0.00 1.459E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH3CHCO+O = CH3CHO+CO 3.200E+12 0.00 -4.370E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -NC3H7+HO2 = NC3H7O+OH 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7+HO2 = IC3H7O+OH 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -CH3O2+NC3H7 = CH3O+NC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -CH3O2+IC3H7 = CH3O+IC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7+O2 = NC3H7O2 4.520E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7+O2 = IC3H7O2 7.540E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH2O+HO2 -NC3H7O2+CH2O = NC3H7O2H+HCO 5.600E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HALF OF CH2O+HO2 -NC3H7O2+CH3CHO = NC3H7O2H+CH3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH2O+HO2 -IC3H7O2+CH2O = IC3H7O2H+HCO 5.600E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HALF OF CH2O+HO2 -IC3H7O2+CH3CHO = IC3H7O2H+CH3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+HO2 = NC3H7O2H+O2 1.750E+10 0.00 -3.275E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+HO2 = IC3H7O2H+O2 1.750E+10 0.00 -3.275E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H4+HO2 -C2H4+NC3H7O2 = C2H3+NC3H7O2H 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H4+HO2 -C2H4+IC3H7O2 = C2H3+IC3H7O2H 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH3OH+HO2 -CH3OH+NC3H7O2 = CH2OH+NC3H7O2H 6.300E+12 0.00 1.936E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH3OH+HO2 -CH3OH+IC3H7O2 = CH2OH+IC3H7O2H 6.300E+12 0.00 1.936E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HALF OF CH2O+HO2 -C2H3CHO+NC3H7O2 = C2H3CO+NC3H7O2H 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HALF OF CH2O+HO2 -C2H3CHO+IC3H7O2 = C2H3CO+IC3H7O2H 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH4+HO2 -CH4+NC3H7O2 = CH3+NC3H7O2H 1.120E+13 0.00 2.464E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH4+HO2 -CH4+IC3H7O2 = CH3+IC3H7O2H 1.120E+13 0.00 2.464E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+CH3O2 = NC3H7O+CH3O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+CH3O2 = IC3H7O+CH3O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -H2+NC3H7O2 = H+NC3H7O2H 3.010E+13 0.00 2.603E+04 0.0 0.0 0.0 - -// TSANG AND HAMPSON, JPC REF. DATA, 15:1087 (1986) -H2+IC3H7O2 = H+IC3H7O2H 3.010E+13 0.00 2.603E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC3H7O2+C2H6 = IC3H7O2H+C2H5 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -NC3H7O2+C2H6 = NC3H7O2H+C2H5 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC3H7O2+C2H5CHO = IC3H7O2H+C2H5CO 2.000E+11 0.00 9.500E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -NC3H7O2+C2H5CHO = NC3H7O2H+C2H5CO 2.000E+11 0.00 9.500E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+CH3CO3 = IC3H7O+CH3CO2+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+CH3CO3 = NC3H7O+CH3CO2+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+C2H5O2 = IC3H7O+C2H5O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+C2H5O2 = NC3H7O+C2H5O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+IC3H7O2 = O2+IC3H7O+IC3H7O 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+NC3H7O2 = O2+NC3H7O+NC3H7O 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+NC3H7O2 = IC3H7O+NC3H7O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7O2+CH3 = IC3H7O+CH3O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7O2+C2H5 = IC3H7O+C2H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7O2+IC3H7 = IC3H7O+IC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7O2+NC3H7 = IC3H7O+NC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -IC3H7O2+C3H5-A = IC3H7O+C3H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -NC3H7O2+CH3 = NC3H7O+CH3O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -NC3H7O2+C2H5 = NC3H7O+C2H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -NC3H7O2+IC3H7 = NC3H7O+IC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -NC3H7O2+NC3H7 = NC3H7O+NC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM GLAUDE,P.A.,MELIUS,C.,PITZ,W.J.,AND WESTBROOK,C.K., -//"CHEMICAL KINETICS OF ORGANOPHOSPHORUS COMPOUNDS", PROCEEDINGS OF THE -NC3H7O2+C3H5-A = NC3H7O+C3H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2H = NC3H7O+OH 1.500E+16 0.00 4.250E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2H = IC3H7O+OH 9.450E+15 0.00 4.260E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5+CH2O = NC3H7O 1.000E+11 0.00 3.496E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5CHO+H = NC3H7O 4.000E+12 0.00 6.260E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3+CH3CHO = IC3H7O 1.000E+11 0.00 9.256E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH3+H = IC3H7O 2.000E+12 0.00 7.270E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BALLA, NELSON, AND MCDONALD, -//CHEM. PHYSICS, 99, 323 (1985) -IC3H7O+O2 = CH3COCH3+HO2 9.090E+09 0.00 3.900E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2 = C3H6OOH1-2 6.000E+11 0.00 2.685E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2 = C3H6OOH1-3 1.125E+11 0.00 2.440E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2 = C3H6OOH2-1 1.800E+12 0.00 2.940E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BOZZELLI, J. AND DEAN, A, 1992 -IC3H7O2 = C3H6OOH2-2 1.230E+35 -6.96 4.888E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-2 = C3H6O1-2+OH 6.000E+11 0.00 2.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-3 = C3H6O1-3+OH 7.500E+10 0.00 1.525E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH2-1 = C3H6O1-2+OH 6.000E+11 0.00 2.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+HO2 = C3H6OOH1-2 1.000E+11 0.00 1.100E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+HO2 = C3H6OOH2-1 1.000E+11 0.00 1.175E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-3 = OH+CH2O+C2H4 3.035E+15 -0.79 2.740E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BOZZELLI AND PITZ, 1995 -C3H6OOH2-1 = C2H3OOH+CH3 6.540E+27 -5.14 3.832E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BOZZELLI AND PITZ, 1995 -C3H6OOH1-2 = C2H4+CH2O+OH 1.310E+33 -7.01 4.812E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H6OOH2-2 = CH3COCH3+OH 9.000E+14 0.00 1.500E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-2+O2 = C3H6OOH1-2O2 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-3+O2 = C3H6OOH1-3O2 4.520E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH2-1+O2 = C3H6OOH2-1O2 4.520E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-2O2 = C3KET12+OH 6.000E+11 0.00 2.640E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-3O2 = C3KET13+OH 7.500E+10 0.00 2.140E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH2-1O2 = CH3COCH2O2H+OH 3.000E+11 0.00 2.385E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH2-1O2 = C3H51-2,3OOH 1.125E+11 0.00 2.440E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-2O2 = C3H51-2,3OOH 9.000E+11 0.00 2.940E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BOZZELLI AND PITZ, 1993 -C3H51-2,3OOH = AC3H5OOH+HO2 2.560E+13 -0.49 1.777E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6OOH1-3O2 = C3H52-1,3OOH 6.000E+11 0.00 2.685E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BOZZELLI AND PITZ, 1993 -C3H52-1,3OOH = AC3H5OOH+HO2 1.150E+14 -0.63 1.725E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3KET12 = CH3CHO+HCO+OH 9.450E+15 0.00 4.300E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3KET13 = CH2O+CH2CHO+OH 1.000E+16 0.00 4.300E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH2O2H = CH2O+CH3CO+OH 1.000E+16 0.00 4.300E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H5O+OH = AC3H5OOH 2.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H5O = C2H3CHO+H 1.000E+14 0.00 2.910E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H3+CH2O = C3H5O 1.5E+11 0.0 10600.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ACETALDEHYDE ANALOG -C3H5O+O2 = C2H3CHO+HO2 1.000E+12 0.00 6.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C2H3OOH = CH2CHO+OH 8.400E+14 0.00 4.300E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FLOWERS, M. C., -//J. CHEM. SOC. FAR. TRANS. I 73, 1927 (1977) -C3H6O1-2 = C2H4+CH2O 6.000E+14 0.00 6.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -C3H6O1-2+OH = CH2O+C2H3+H2O 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -C3H6O1-2+H = CH2O+C2H3+H2 2.630E+07 2.00 5.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -C3H6O1-2+O = CH2O+C2H3+OH 8.430E+13 0.00 5.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -C3H6O1-2+HO2 = CH2O+C2H3+H2O2 1.000E+13 0.00 1.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -C3H6O1-2+CH3O2 = CH2O+C2H3+CH3O2H 1.000E+13 0.00 1.900E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -C3H6O1-2+CH3 = CH2O+C2H3+CH4 2.000E+11 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK AND PITZ ESTIMATE (1983) -C3H6O1-3 = C2H4+CH2O 6.000E+14 0.00 6.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C3H6O1-3+OH = CH2O+C2H3+H2O 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C3H6O1-3+O = CH2O+C2H3+OH 8.430E+13 0.00 5.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C3H6O1-3+H = CH2O+C2H3+H2 2.630E+07 2.00 5.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C3H6O1-3+CH3O2 = CH2O+C2H3+CH3O2H 1.000E+13 0.00 1.900E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C3H6O1-3+HO2 = CH2O+C2H3+H2O2 1.000E+13 0.00 1.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C3H6O1-3+CH3 = CH2O+C2H3+CH4 2.000E+11 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2 = C3H6+HO2 1.015E+43 -9.41 4.149E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2 = C3H6+HO2 5.044E+38 -8.11 4.049E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9+H = C4H10 3.610E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9+H = C4H10 3.610E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H10+O2 = PC4H9+HO2 6.000E+13 0.00 5.234E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H10+O2 = SC4H9+HO2 4.000E+13 0.00 4.980E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA, D. L. AND SHAW, R., -//J. PHYS. CHEM. REF. DATA 9, 523 (1980) -C4H10+C3H5-A = PC4H9+C3H6 7.940E+11 0.00 2.050E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA, D. L. AND SHAW, R., -//J. PHYS. CHEM. REF. DATA 9, 523 (1980) -C4H10+C3H5-A = SC4H9+C3H6 3.160E+11 0.00 1.640E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA, D. L. AND SHAW, R., -//J. PHYS. CHEM. REF. DATA 9, 523 (1980) -C4H10+C2H5 = PC4H9+C2H6 1.580E+11 0.00 1.230E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA, D. L. AND EDELSON, D., -//INT. J. CHEM. KINET. 7, 479 (1975) -C4H10+C2H5 = SC4H9+C2H6 1.000E+11 0.00 1.040E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//SUNDARAM, K. M. AND FROMENT, G. F., I. -//AND E. C. FUNDAMENTALS 17, 174 (1978) -C4H10+C2H3 = PC4H9+C2H4 1.000E+12 0.00 1.800E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//SUNDARAM, K. M. AND FROMENT, G. F., I. -//AND E. C. FUNDAMENTALS 17, 174 (1978) -C4H10+C2H3 = SC4H9+C2H4 8.000E+11 0.00 1.680E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H10+CH3 = PC4H9+CH4 9.040E-01 3.65 7.154E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H10+CH3 = SC4H9+CH4 3.020E+00 3.46 5.481E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H10+H = PC4H9+H2 1.880E+05 2.75 6.280E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H10+H = SC4H9+H2 2.600E+06 2.40 4.471E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H10+OH = PC4H9+H2O 1.054E+10 0.97 1.586E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H10+OH = SC4H9+H2O 9.340E+07 1.61 -3.500E+01 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//MICHAEL, KEIL AND KLEM, -//INT. J. CHEM. KIN. 15, 705 (1983) -C4H10+O = PC4H9+OH 1.130E+14 0.00 7.850E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//MICHAEL, KEIL AND KLEM, -//INT. J. CHEM. KIN. 15, 705 (1983) -C4H10+O = SC4H9+OH 5.620E+13 0.00 5.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.5) -C4H10+HO2 = PC4H9+H2O2 8.100E+04 2.50 1.669E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.2) -C4H10+HO2 = SC4H9+H2O2 1.176E+05 2.50 1.486E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FRED DRYER ESTIMATE -C4H10+CH3O = PC4H9+CH3OH 3.000E+11 0.00 7.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FRED DRYER ESTIMATE -C4H10+CH3O = SC4H9+CH3OH 6.000E+11 0.00 7.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH CH3O -C4H10+C2H5O = PC4H9+C2H5OH 3.000E+11 0.00 7.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH CH3O -C4H10+C2H5O = SC4H9+C2H5OH 6.000E+11 0.00 7.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK AND PITZ ESTIMATE (1983) -C4H10+PC4H9 = SC4H9+C4H10 1.000E+11 0.00 1.040E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -C4H10+CH3CO3 = PC4H9+CH3CO3H 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -C4H10+CH3CO3 = SC4H9+CH3CO3H 1.120E+13 0.00 1.770E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH RH + RO2 --> R + RO2H -C4H10+O2CHO = PC4H9+HO2CHO 1.680E+13 0.00 2.044E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH RH + RO2 --> R + RO2H -C4H10+O2CHO = SC4H9+HO2CHO 1.120E+13 0.00 1.769E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.5) -CH3O2+C4H10 = CH3O2H+PC4H9 8.100E+04 2.50 1.669E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.2) -CH3O2+C4H10 = CH3O2H+SC4H9 1.176E+05 2.50 1.486E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -C2H5O2+C4H10 = C2H5O2H+PC4H9 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -C2H5O2+C4H10 = C2H5O2H+SC4H9 1.120E+13 0.00 1.770E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -NC3H7O2+C4H10 = NC3H7O2H+PC4H9 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -NC3H7O2+C4H10 = NC3H7O2H+SC4H9 1.120E+13 0.00 1.770E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -IC3H7O2+C4H10 = IC3H7O2H+PC4H9 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -IC3H7O2+C4H10 = IC3H7O2H+SC4H9 1.120E+13 0.00 1.770E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -PC4H9O2+C3H8 = PC4H9O2H+NC3H7 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., REACTION KINETICS, -//VOL. 1, S. P. R. CHEMICAL SOCIETY, 1975 -PC4H9O2+C3H8 = PC4H9O2H+IC3H7 2.000E+12 0.00 1.700E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -PC4H9O2+C4H10 = PC4H9O2H+PC4H9 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -PC4H9O2+C4H10 = PC4H9O2H+SC4H9 1.120E+13 0.00 1.770E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -SC4H9O2+C3H8 = SC4H9O2H+NC3H7 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., REACTION KINETICS, -//VOL. 1, S. P. R. CHEMICAL SOCIETY, 1975 -SC4H9O2+C3H8 = SC4H9O2H+IC3H7 2.000E+12 0.00 1.700E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -SC4H9O2+C4H10 = SC4H9O2H+PC4H9 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -SC4H9O2+C4H10 = SC4H9O2H+SC4H9 1.120E+13 0.00 1.770E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5+C2H4 = PC4H9 1.320E+04 2.48 6.130E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6+CH3 = SC4H9 1.760E+04 2.48 6.130E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8-1+H = PC4H9 2.500E+11 0.51 2.620E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8-2+H = SC4H9 2.500E+11 0.51 2.620E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8-1+H = SC4H9 4.240E+11 0.51 1.230E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -PC4H9+O2 = C4H8-1+HO2 2.000E-18 0.00 5.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -SC4H9+O2 = C4H8-1+HO2 2.000E-18 0.00 5.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -SC4H9+O2 = C4H8-2+HO2 2.000E-18 0.00 5.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK AND PITZ ESTIMATE (1983) -C2H3+C2H5 = C4H8-1 9.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA, D. L. AND SHAW, R., -//J. PHYS. CHEM. REF. DATA 9, 523 (1980) -H+C4H71-3 = C4H8-1 5.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+O2 = C4H71-3+HO2 2.000E+13 0.00 3.719E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+H = C4H71-1+H2 7.810E+05 2.50 1.229E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+H = C4H71-2+H2 3.900E+05 2.50 5.821E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+H = C4H71-3+H2 3.376E+05 2.36 2.070E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+H = C4H71-4+H2 6.651E+05 2.54 6.756E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+OH = C4H71-1+H2O 2.140E+06 2.00 2.778E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+OH = C4H71-2+H2O 2.220E+06 2.00 1.451E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+OH = C4H71-3+H2O 2.764E+04 2.64 -1.919E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+OH = C4H71-4+H2O 5.270E+09 0.97 1.586E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+CH3 = C4H71-3+CH4 3.690E+00 3.31 4.002E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+CH3 = C4H71-4+CH4 4.520E-01 3.65 7.154E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+HO2 = C4H71-3+H2O2 4.820E+03 2.55 1.053E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+HO2 = C4H71-4+H2O2 2.380E+03 2.55 1.649E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+CH3O2 = C4H71-3+CH3O2H 4.820E+03 2.55 1.053E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+CH3O2 = C4H71-4+CH3O2H 2.380E+03 2.55 1.649E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+CH3O = C4H71-3+CH3OH 4.000E+01 2.90 8.609E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-1+CH3O = C4H71-4+CH3OH 2.170E+11 0.00 6.458E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//DECHAUX, J.C., OXID. COMM. 2, 95 (1981) -C4H8-1+CH3CO3 = C4H71-3+CH3CO3H 1.000E+11 0.00 8.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA, D. L. AND SHAW, R., -//J. PHYS. CHEM. REF. DATA 9, 523 (1980) -C4H8-1+C3H5-A = C4H71-3+C3H6 7.900E+10 0.00 1.240E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA, D. L. AND EDELSON, D., -//INT. J. CHEM. KINET. 7, 479 (1975) -C4H71-3+C4H71-3 = C4H8-1+C4H6 1.6E+12 0.0 0.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C4H8-1+C2H5O2 = C4H71-3+C2H5O2H 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C4H8-1+NC3H7O2 = C4H71-3+NC3H7O2H 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C4H8-1+IC3H7O2 = C4H71-3+IC3H7O2H 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C4H8-1+PC4H9O2 = C4H71-3+PC4H9O2H 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C4H8-1+SC4H9O2 = C4H71-3+SC4H9O2H 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -C4H8-1+CH3O2 = C4H8O1-2+CH3O 1.000E+12 0.00 1.434E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA AND SHAW, 1980, PARALLEL -H+C4H71-3 = C4H8-2 5.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-2+O2 = C4H71-3+HO2 4.000E+13 0.00 3.939E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-2+H = C4H71-3+H2 3.460E+05 2.50 2.492E+03 0.0 0.0 0.0 -//REV/ 6.428E+06 1.99 1.966E+04 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-2+OH = C4H71-3+H2O 6.240E+06 2.00 -2.980E+02 0.0 0.0 0.0 -//REV/ 5.019E+08 1.49 3.202E+04 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-2+CH3 = C4H71-3+CH4 4.420E+00 3.50 5.675E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-2+HO2 = C4H71-3+H2O2 1.928E+04 2.60 1.391E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-2+CH3O2 = C4H71-3+CH3O2H 1.928E+04 2.60 1.391E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H8-2+CH3O = C4H71-3+CH3OH 1.800E+01 2.95 1.199E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TWICE RATE OF C3H6+HO2 -C4H8-2+C2H5O2 = C4H71-3+C2H5O2H 3.200E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TWICE RATE OF C3H6+HO2 -C4H8-2+NC3H7O2 = C4H71-3+NC3H7O2H 3.200E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TWICE RATE OF C3H6+HO2 -C4H8-2+IC3H7O2 = C4H71-3+IC3H7O2H 3.200E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TWICE RATE OF C3H6+HO2 -C4H8-2+PC4H9O2 = C4H71-3+PC4H9O2H 3.200E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TWICE RATE OF C3H6+HO2 -C4H8-2+SC4H9O2 = C4H71-3+SC4H9O2H 3.200E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -C4H8-1+HO2 = C4H8O1-2+OH 1.000E+12 0.00 1.434E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -C4H8-2+HO2 = C4H8O2-3+OH 5.620E+11 0.00 1.231E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -C4H8-2+CH3O2 = C4H8O2-3+CH3O 5.620E+11 0.00 1.231E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TULLY, PRIVATE COMMUNICATION, 1986. -C4H8-1+OH = C4H8OH-1 4.750E+12 0.00 -7.820E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TULLY, PRIVATE COMMUNICATION, 1986. -C4H8-2+OH = C4H8OH-2 4.750E+12 0.00 -7.820E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OH-1+O2 = C4H8OH-1O2 2.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OH-2+O2 = C4H8OH-2O2 2.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO PROPENE -C4H8OH-1O2 = C2H5CHO+CH2O+OH 1.000E+16 0.00 2.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO PROPENE -C4H8OH-2O2 = OH+CH3CHO+CH3CHO 1.000E+16 0.00 2.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H2+C2H5 = C4H71-1 2.000E+11 0.00 7.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H4-A+CH3 = C4H71-2 2.000E+11 0.00 7.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H4+C2H3 = C4H71-4 2.000E+11 0.00 7.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H4-P+CH3 = C4H72-2 1.0E+11 0.0 7800.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA, D. L. AND SHAW, R., -//J. PHYS. CHEM. REF. DATA 9, 523 (1980) -C4H6+H = C4H71-3 4.0E+13 0.0 1300.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H71-3+C2H5 = C4H8-1+C2H4 2.590E+12 0.00 -1.310E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H71-3+CH3O = C4H8-1+CH2O 2.410E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H71-3+O = C2H3CHO+CH3 6.030E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H71-3+HO2 = C4H7O+OH 9.640E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C4H71-3+CH3O2 = C4H7O+CH3O 9.640E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//EDELSON AND ALLARA, 1980 -C3H5-A+C4H71-3 = C3H6+C4H6 6.310E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BALDWIN, BENNETT, AND WALKER, -//JCS FARADAY I, 76, 2396 (1980) -C4H71-3+O2 = C4H6+HO2 1.000E+09 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA, D. L. AND SHAW, R., -//J. PHYS. CHEM. REF. DATA 9, 523 (1980) -H+C4H71-3 = C4H6+H2 3.160E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//EDELSON AND ALLARA, 1980 -C2H5+C4H71-3 = C4H6+C2H6 3.980E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//EDELSON AND ALLARA, 1980 -C2H3+C4H71-3 = C2H4+C4H6 3.980E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH3O2+CH3 -C4H71-3+C2H5O2 = C4H7O+C2H5O 3.800E+12 0.00 -1.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH3O2+CH3 -IC3H7O2+C4H71-3 = IC3H7O+C4H7O 3.800E+12 0.00 -1.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH3O2+CH3 -NC3H7O2+C4H71-3 = NC3H7O+C4H7O 3.800E+12 0.00 -1.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO BATT'S RATE FOR S-BUTOXY DECOMPOSITION -C4H7O = CH3CHO+C2H3 7.940E+14 0.00 1.900E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO BATT'S RATE FOR S-BUTOXY DECOMPOSITION -C4H7O = C2H3CHO+CH3 7.940E+14 0.00 1.900E+04 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6 = C4H5-I+H 5.70E+36 -6.27 112353. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6 = C4H5-N+H 5.30E+44 -8.62 123608. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6 = C4H4+H2 2.50E+15 0.0 94700.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+H = C4H5-N+H2 1.33E+06 2.53 12240.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+H = C4H5-I+H2 6.65E+05 2.53 9240.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+H = C3H4-P+CH3 2.00E+12 0.0 7000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+H = C3H4-A+CH3 2.00E+12 0.0 7000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+O = C4H5-N+OH 0.75E+07 1.900 3740.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+O = C4H5-I+OH 0.75E+07 1.900 3740.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+O = CH3CHCHCO+H 1.5E+08 1.45 -860.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+O = CH2CHCHCHO+H 4.5E+08 1.45 -860.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+OH = C4H5-N+H2O 6.20E+06 2.0 3430.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+OH = C4H5-I+H2O 3.10E+06 2.0 430.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+HO2 = C4H6O25+OH 1.20E+12 0.0 14000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+HO2 = C2H3CHOCH2+OH 4.80E+12 0.0 14000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+CH3 = C4H5-N+CH4 2.00E+14 0.0 22800.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+CH3 = C4H5-I+CH4 1.00E+14 0.0 19800.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+C2H3 = C4H5-N+C2H4 5.00E+13 0.0 22800.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+C2H3 = C4H5-I+C2H4 2.50E+13 0.0 19800.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+C3H3 = C4H5-N+C3H4-A 1.00E+13 0.0 22500.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+C3H3 = C4H5-I+C3H4-A 0.50E+13 0.0 19500.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+C3H5-A = C4H5-N+C3H6 1.00E+13 0.0 22500.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6+C3H5-A = C4H5-I+C3H6 0.50E+13 0.0 19500.0 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//LASKIN ET AL. IJCK 32 589-614 2000 -//C4H6+C2H3 = C6H6+H2+H 5.62E+11 0.0 3240. - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-N = C4H5-I 1.5E+67 -16.89 59100. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-N+H = C4H5-I+H 3.1E+26 -3.35 17423. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-N+H = C4H4+H2 1.5E+13 0.00 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-N+OH = C4H4+H2O 2.0E+12 0.00 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-N+HCO = C4H6+CO 5.00E+12 0.0 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-N+HO2 = C2H3+CH2CO+OH 6.60E+12 0.0 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-N+H2O2 = C4H6+HO2 1.21E+10 0.0 -596. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-N+HO2 = C4H6+O2 6.00E+11 0.0 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-N+O2 = CH2CHCHCHO+O 3.00E+11 0.29 11. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-N+O2 = HCO+C2H3CHO 9.20E+16 -1.39 1010. 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//LASKIN ET AL. IJCK 32 589-614 2000 -//C4H5-N+C2H2 = C6H6+H 1.60E+16 -1.33 5400. -//C4H5-N+C2H3 = C6H6+H2 1.84E-13 7.07 -3611. -//C4H5-N+C4H4 = C6H5C2H3+H 3.160E+11 0.0 600. - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-I+H = C4H4+H2 3.0E+13 0.00 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-I+H = C3H3+CH3 2.00E+13 0.0 2000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-I+OH = C4H4+H2O 4.0E+12 0.00 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-I+HCO = C4H6+CO 5.00E+12 0.0 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-I+HO2 = C4H6+O2 6.000E+11 0.00 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-I+HO2 = C2H3+CH2CO+OH 6.60E+12 0.0 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-I+H2O2 = C4H6+HO2 1.21E+10 0.000 -596. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-I+O2 = CH2CO+CH2CHO 2.16E+10 0.00 2500. 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//LASKIN ET AL. IJCK 32 589-614 2000 -//C4H5-I+C4H4 = C6H5C2H3+H 5.000E+14 0.0 25000. - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-2 = C4H5-I 1.5E+67 -16.89 59100. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-2+H = C4H5-I+H 3.1E+26 -3.35 17423. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-2+HO2 = OH+C2H2+CH3CO 8.00E+11 0.0 0. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H5-2+O2 = CH3CO+CH2CO 2.16E+10 0.00 2500. 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//LASKIN ET AL. IJCK 32 589-614 2000 -//C4H5-2+C2H2 = C6H6+H 5.00E+14 0.00 25000.0//ESTIMATED -//C4H5-2+C2H4 = C5H6+CH3 5.00E+14 0.000 25000.0//ESTIMATED -//C4H5-2+C4H4 = C6H5C2H3+H 5.00E+14 0.0 25000. //ESTIMATED - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H612 = C4H5-I+H 4.20E+15 0.0 92600.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H612+H = C4H6+H 2.00E+13 0.0 4000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H612+H = C4H5-I+H2 1.70E+05 2.5 2490.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H612+H = C3H4-A+CH3 2.00E+13 0.0 2000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H612+H = C3H4-P+CH3 2.00E+13 0.0 2000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H612+CH3 = C4H5-I+CH4 7.00E+13 0.0 18500.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H612+O = CH2CO+C2H4 1.20E+08 1.65 327.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H612+O = C4H5-I+OH 1.80E+11 0.70 5880.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H612+OH = C4H5-I+H2O 3.10E+06 2.00 -298.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H612 = C4H6 3.00E+13 0.0 65000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6-2 = C4H6 3.00E+13 0.00 65000.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6-2 = C4H612 3.00E+13 0.00 67000.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6-2+H = C4H612+H 2.00E+13 0.0 4000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6-2+H = C4H5-2+H2 3.40E+05 2.5 2490.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6-2+H = CH3+C3H4-P 2.60E+5 2.500 1000.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6-2 = H+C4H5-2 5.00E+15 0.00 87300.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6-2+CH3 = C4H5-2+CH4 1.40E+14 0.0 18500.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C2H3CHOCH2 = C4H6O23 2.00E+14 0.0 50600.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6O23 = CH3CHCHCHO 1.95E+13 0.0 49400.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6O23 = C2H4+CH2CO 5.75E+15 0.0 69300.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6O23 = C2H2+C2H4O1-2 1.00E+16 0.0 75800.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H6O25 = C4H4O+H2 5.30E+12 0.0 48500.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H4O = CO+C3H4-P 1.78E+15 0.0 77500.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H4O = C2H2+CH2CO 5.01E+14 0.0 77500.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCHO = C3H6+CO 3.90E+14 0.0 69000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCHO+H = CH2CHCHCHO+H2 1.70E+5 2.5 2490.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCHO+H = CH3CHCHCO+H2 1.00E+5 2.5 2490.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCHO+H = CH3+C2H3CHO 4.00E+21 -2.390 11180.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCHO+H = C3H6+HCO 4.00E+21 -2.390 11180.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCHO+CH3 = CH2CHCHCHO+CH4 2.10E+00 3.50 5675.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCHO+CH3 = CH3CHCHCO+CH4 1.10E+00 3.50 5675.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCHO+C2H3 = CH2CHCHCHO+C2H4 2.210E+00 3.50 4682.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCHO+C2H3 = CH3CHCHCO+C2H4 1.110E+00 3.50 4682.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCO = C3H5-S+CO 1.00E14 0.0 30000.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH3CHCHCO+H = CH3CHCHCHO 1.00E+14 0.0 00.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH2CHCHCHO = C3H5-A+CO 1.00E14 0.0 25000.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -CH2CHCHCHO+H = CH3CHCHCHO 1.00E+14 0.0 00.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C6H2+H = C6H3 1.10E+30 -4.92 10800.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C6H3+H = C4H2+C2H2 2.80E+23 -2.55 10780.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C6H3+H = L-C6H4 3.40E+43 -9.01 12120.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C6H3+H = C6H2+H2 3.00E+13 0.00 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C6H3+OH = C6H2+H2O 4.00E+12 0.00 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C6H3+O2 => CO+C3H2+HCCO 5.00E+11 0.00 0.0 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//LASKIN ET AL. IJCK 32 589-614 2000 -//L-C6H4+H = C6H5 1.70E+78 -19.72 31400. - -//LASKIN ET AL. IJCK 32 589-614 2000 -L-C6H4+H = C-C6H4+H 1.40E+54 -11.70 34500. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -L-C6H4+H = C6H3+H2 1.33E+06 2.53 9240.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -L-C6H4+OH = C6H3+H2O 3.10E+06 2.0 430.0 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//LASKIN ET AL. IJCK 32 589-614 2000 -//C-C6H4+H = C6H5 2.40E+60 -13.66 29500. - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H4+H = C4H5-N 1.30E+51 -11.92 16500. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H4+H = C4H5-I 4.90E+51 -11.92 17700. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H4+H = C4H3-N+H2 6.65E+05 2.53 12240.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H4+H = C4H3-I+H2 3.33E+05 2.53 9240.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H4+OH = C4H3-N+H2O 3.10E+07 2.0 3430.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H4+OH = C4H3-I+H2O 1.55E+07 2.0 430.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H4+O = C3H3+HCO 6.0E+08 1.45 -860.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H4+C2H = L-C6H4+H 1.20E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-N = C4H3-I 4.10E+43 -9.49 53000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-N+H = C4H3-I+H 2.50E+20 -1.67 10800.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-N+H = C2H2+H2CC 6.30E+25 -3.34 10014.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-N+H = C4H4 2.00E+47 -10.26 13070.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-N+H = C4H2+H2 3.00E+13 0.00 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-N+OH = C4H2+H2O 2.00E+12 0.00 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-N+C2H2 = L-C6H4+H 2.50E+14 -0.56 10600. 0.0 0.0 0.0 - -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//LASKIN ET AL. IJCK 32 589-614 2000 -//C4H3-N+C2H2 = C6H5 9.60E+70 -17.77 31300. - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-N+C2H2 = C-C6H4+H 6.90E+46 -10.01 30100. 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-I+H = C2H2+H2CC 2.80E+23 -2.55 10780.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-I+H = C4H4 3.40E+43 -9.01 12120.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-I+H = C4H2+H2 6.00E+13 0.00 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-I+OH = C4H2+H2O 4.00E+12 0.00 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H3-I+O2 = HCCO+CH2CO 7.86E+16 -1.80 0.0 0.0 0.0 0.0 - -//ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230 (2005) -C4H3-I+CH2 = C3H4-A+C2H 2.0E+13 0.0 0.0 0.0 0.0 0.0 - -//ZIEGLER ET AL. J. ANAL.APPLY.PYROLYSIS 73 212-230 (2005) -//////////UNCOMMENT WHEN MECH USED AS BASE FOR AROMATIC MECH//////////////////// -//C4H3-I+CH3 = C5H6 1.0E+12 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H2+H = C4H3-N 1.10E+42 -8.72 15300.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H2+H = C4H3-I 1.10E+30 -4.92 10800.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H2+O = C3H2+CO 2.70E+13 0.0 1720.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H2+OH = H2C4O+H 6.60E+12 0.0 -410.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H2+C2H = C6H2+H 9.60E+13 0.0 0.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -C4H2+C2H = C6H3 4.50E+37 -7.68 7100.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -H2C4O+H = C2H2+HCCO 5.00E+13 0.0 3000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -H2C4O+OH = CH2CO+HCCO 1.00E+07 2.0 2000.0 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -H2CC+H = C2H2+H 1.000E+14 0.00 0.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -H2CC+OH = CH2CO+H 2.000E+13 0.00 0.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -H2CC+O2 = HCO+HCO 1.000E+13 0.00 0.00 0.0 0.0 0.0 - -//LASKIN ET AL. IJCK 32 589-614 2000 -H2CC+C2H4 = C4H6 1.00E+12 0.0 0.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-2+OH = CH2O+C3H5-A+H2O 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-2+H = CH2O+C3H5-A+H2 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-2+O = CH2O+C3H5-A+OH 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-2+HO2 = CH2O+C3H5-A+H2O2 1.000E+13 0.00 1.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-2+CH3O2 = CH2O+C3H5-A+CH3O2H 1.000E+13 0.00 1.900E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-2+CH3 = CH2O+C3H5-A+CH4 2.000E+11 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-3+OH = CH2O+C3H5-A+H2O 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-3+H = CH2O+C3H5-A+H2 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-3+O = CH2O+C3H5-A+OH 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-3+HO2 = CH2O+C3H5-A+H2O2 1.000E+13 0.00 1.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-3+CH3O2 = CH2O+C3H5-A+CH3O2H 1.000E+13 0.00 1.900E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-3+CH3 = CH2O+C3H5-A+CH4 2.000E+11 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-4+OH = CH2O+C3H5-A+H2O 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-4+H = CH2O+C3H5-A+H2 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-4+O = CH2O+C3H5-A+OH 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-4+HO2 = CH2O+C3H5-A+H2O2 1.000E+13 0.00 1.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-4+CH3O2 = CH2O+C3H5-A+CH3O2H 1.000E+13 0.00 1.900E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O1-4+CH3 = CH2O+C3H5-A+CH4 2.000E+11 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O2-3+OH = CH2O+C3H5-A+H2O 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O2-3+H = CH2O+C3H5-A+H2 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O2-3+O = CH2O+C3H5-A+OH 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O2-3+HO2 = CH2O+C3H5-A+H2O2 1.000E+13 0.00 1.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O2-3+CH3O2 = CH2O+C3H5-A+CH3O2H 1.000E+13 0.00 1.900E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8O2-3+CH3 = CH2O+C3H5-A+CH4 2.000E+11 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9+O2 = PC4H9O2 4.520E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9+O2 = SC4H9O2 7.540E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH2O+HO2 -SC4H9O2+CH2O = SC4H9O2H+HCO 5.600E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HALF OF CH2O+HO2 -SC4H9O2+CH3CHO = SC4H9O2H+CH3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+HO2 = SC4H9O2H+O2 1.750E+10 0.00 -3.275E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+PC4H9 = IC3H7O+PC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+SC4H9 = IC3H7O+SC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+PC4H9 = NC3H7O+PC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+SC4H9 = NC3H7O+SC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+SC4H9O2 = O2+SC4H9O+SC4H9O 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+NC3H7O2 = SC4H9O+NC3H7O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+IC3H7O2 = SC4H9O+IC3H7O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+C2H5O2 = SC4H9O+C2H5O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+CH3O2 = SC4H9O+CH3O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+CH3CO3 = SC4H9O+CH3CO2+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -PC4H9O2+HO2 = PC4H9O+OH+O2 1.400E-14 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -SC4H9O2+HO2 = SC4H9O+OH+O2 1.400E-14 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -H2+PC4H9O2 = H+PC4H9O2H 3.010E+13 0.00 2.603E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -H2+SC4H9O2 = H+SC4H9O2H 3.010E+13 0.00 2.603E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -C2H6+PC4H9O2 = C2H5+PC4H9O2H 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -C2H6+SC4H9O2 = C2H5+SC4H9O2H 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -PC4H9O2+C2H5CHO = PC4H9O2H+C2H5CO 2.000E+11 0.00 9.500E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -SC4H9O2+C2H5CHO = SC4H9O2H+C2H5CO 2.000E+11 0.00 9.500E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+CH3 = SC4H9O+CH3O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+C2H5 = SC4H9O+C2H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+IC3H7 = SC4H9O+IC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+NC3H7 = SC4H9O+NC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+PC4H9 = SC4H9O+PC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+SC4H9 = SC4H9O+SC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+C3H5-A = SC4H9O+C3H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH2O+HO2 -PC4H9O2+CH2O = PC4H9O2H+HCO 5.600E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HALF OF CH2O+HO2 -PC4H9O2+CH3CHO = PC4H9O2H+CH3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -// TSANG, JPC REF. DATA, 16:471 (1987) -PC4H9O2+HO2 = PC4H9O2H+O2 1.750E+10 0.00 -3.275E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -C3H6+PC4H9O2 = C3H5-A+PC4H9O2H 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -C3H6+SC4H9O2 = C3H5-A+SC4H9O2H 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H4+HO2 -C2H4+PC4H9O2 = C2H3+PC4H9O2H 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H4+HO2 -C2H4+SC4H9O2 = C2H3+SC4H9O2H 1.130E+13 0.00 3.043E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH3OH+HO2 -CH3OH+PC4H9O2 = CH2OH+PC4H9O2H 6.300E+12 0.00 1.936E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH3OH+HO2 -CH3OH+SC4H9O2 = CH2OH+SC4H9O2H 6.300E+12 0.00 1.936E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HALF OF CH2O+HO2 -C2H3CHO+PC4H9O2 = C2H3CO+PC4H9O2H 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HALF OF CH2O+HO2 -C2H3CHO+SC4H9O2 = C2H3CO+SC4H9O2H 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH4+HO2 -CH4+PC4H9O2 = CH3+PC4H9O2H 1.120E+13 0.00 2.464E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO CH4+HO2 -CH4+SC4H9O2 = CH3+SC4H9O2H 1.120E+13 0.00 2.464E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H71-3+PC4H9O2 = C4H7O+PC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H71-3+SC4H9O2 = C4H7O+SC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO H2O2+CH3O2=HO2+CH3O2H -H2O2+PC4H9O2 = HO2+PC4H9O2H 2.400E+12 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO H2O2+CH3O2=HO2+CH3O2H -H2O2+SC4H9O2 = HO2+SC4H9O2H 2.400E+12 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+PC4H9O2 = O2+PC4H9O+PC4H9O 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+SC4H9O2 = PC4H9O+SC4H9O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+NC3H7O2 = PC4H9O+NC3H7O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+IC3H7O2 = PC4H9O+IC3H7O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+C2H5O2 = PC4H9O+C2H5O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+CH3O2 = PC4H9O+CH3O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+CH3CO3 = PC4H9O+CH3CO2+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+CH3 = PC4H9O+CH3O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+C2H5 = PC4H9O+C2H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+IC3H7 = PC4H9O+IC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+NC3H7 = PC4H9O+NC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+PC4H9 = PC4H9O+PC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+SC4H9 = PC4H9O+SC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+C3H5-A = PC4H9O+C3H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9+HO2 = PC4H9O+OH 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9+HO2 = SC4H9O+OH 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3O2+PC4H9 = CH3O+PC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3O2+SC4H9 = CH3O+SC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2H = PC4H9O+OH 1.500E+16 0.00 4.250E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2H = SC4H9O+OH 9.450E+15 0.00 4.160E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7+CH2O = PC4H9O 5.000E+10 0.00 3.457E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3+C2H5CHO = SC4H9O 5.000E+10 0.00 9.043E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5+CH3CHO = SC4H9O 3.330E+10 0.00 6.397E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2 = C4H8OOH1-2 2.000E+11 0.00 2.685E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2 = C4H8OOH1-3 2.500E+10 0.00 2.085E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2 = C4H8OOH1-4 4.688E+09 0.00 2.235E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2 = C4H8OOH2-1 3.000E+11 0.00 2.940E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2 = C4H8OOH2-3 2.000E+11 0.00 2.685E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2 = C4H8OOH2-4 3.750E+10 0.00 2.440E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2 = C4H8-1+HO2 5.044E+38 -8.11 4.049E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2 = C4H8-1+HO2 5.075E+42 -9.41 4.149E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2 = C4H8-2+HO2 5.044E+38 -8.11 4.049E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8-1+HO2 = C4H8OOH1-2 1.000E+11 0.00 1.100E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8-1+HO2 = C4H8OOH2-1 1.000E+11 0.00 1.175E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8-2+HO2 = C4H8OOH2-3 1.000E+11 0.00 1.175E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-2 = C4H8O1-2+OH 6.000E+11 0.00 2.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-3 = C4H8O1-3+OH 7.500E+10 0.00 1.525E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-4 = C4H8O1-4+OH 9.375E+09 0.00 6.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-1 = C4H8O1-2+OH 6.000E+11 0.00 2.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-3 = C4H8O2-3+OH 6.000E+11 0.00 2.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-4 = C4H8O1-3+OH 7.500E+10 0.00 1.525E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-1 = NC3H7CHO+OH 9.000E+14 0.00 1.500E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-2 = C2H5COCH3+OH 9.000E+14 0.00 1.500E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-3 = OH+CH2O+C3H6 6.635E+13 -0.16 2.990E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-4 = OH+CH3CHO+C2H4 1.945E+18 -1.63 2.679E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-2+O2 = C4H8OOH1-2O2 7.540E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-3+O2 = C4H8OOH1-3O2 7.540E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-4+O2 = C4H8OOH1-4O2 4.520E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-1+O2 = C4H8OOH2-1O2 4.520E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-3+O2 = C4H8OOH2-3O2 7.540E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-4+O2 = C4H8OOH2-4O2 4.520E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-2O2 = NC4KET12+OH 2.000E+11 0.00 2.640E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-3O2 = NC4KET13+OH 2.500E+10 0.00 2.140E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH1-4O2 = NC4KET14+OH 3.125E+09 0.00 1.935E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-1O2 = NC4KET21+OH 1.000E+11 0.00 2.385E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-3O2 = NC4KET23+OH 1.000E+11 0.00 2.385E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C4H8OOH2-4O2 = NC4KET24+OH 1.250E+10 0.00 1.785E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC4KET12 = C2H5CHO+HCO+OH 1.050E+16 0.00 4.160E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC4KET13 = CH3CHO+CH2CHO+OH 1.050E+16 0.00 4.160E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC4KET14 = CH2CH2CHO+CH2O+OH 1.500E+16 0.00 4.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC4KET21 = CH2O+C2H5CO+OH 1.500E+16 0.00 4.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC4KET23 = CH3CHO+CH3CO+OH 1.050E+16 0.00 4.160E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC4KET24 = CH2O+CH3COCH2+OH 1.500E+16 0.00 4.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+OH = CH2CH2COCH3+H2O 7.550E+09 0.97 1.586E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+OH = CH3CHCOCH3+H2O 8.450E+11 0.00 -2.280E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+OH = C2H5COCH2+H2O 5.100E+11 0.00 1.192E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+HO2 = CH2CH2COCH3+H2O2 2.380E+04 2.55 1.649E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+HO2 = CH3CHCOCH3+H2O2 2.000E+11 0.00 8.698E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+HO2 = C2H5COCH2+H2O2 2.380E+04 2.55 1.469E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+O = CH2CH2COCH3+OH 2.250E+13 0.00 7.700E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+O = CH3CHCOCH3+OH 3.070E+13 0.00 3.400E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+O = C2H5COCH2+OH 5.000E+12 0.00 5.962E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+H = CH2CH2COCH3+H2 9.160E+06 2.00 7.700E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+H = CH3CHCOCH3+H2 4.460E+06 2.00 3.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+H = C2H5COCH2+H2 9.300E+12 0.00 6.357E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+O2 = CH2CH2COCH3+HO2 2.050E+13 0.00 5.131E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+O2 = CH3CHCOCH3+HO2 1.550E+13 0.00 4.197E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+O2 = C2H5COCH2+HO2 2.050E+13 0.00 4.915E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+CH3 = CH2CH2COCH3+CH4 3.190E+01 3.17 7.172E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+CH3 = CH3CHCOCH3+CH4 1.740E+00 3.46 3.680E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+CH3 = C2H5COCH2+CH4 1.620E+11 0.00 9.630E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+CH3O = CH2CH2COCH3+CH3OH 2.170E+11 0.00 6.460E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+CH3O = CH3CHCOCH3+CH3OH 1.450E+11 0.00 2.771E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+CH3O = C2H5COCH2+CH3OH 2.170E+11 0.00 4.660E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+CH3O2 = CH2CH2COCH3+CH3O2H 3.010E+12 0.00 1.938E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+CH3O2 = CH3CHCOCH3+CH3O2H 2.000E+12 0.00 1.525E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+CH3O2 = C2H5COCH2+CH3O2H 3.010E+12 0.00 1.758E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+C2H3 = CH2CH2COCH3+C2H4 5.000E+11 0.00 1.040E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+C2H3 = CH3CHCOCH3+C2H4 3.000E+11 0.00 3.400E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+C2H3 = C2H5COCH2+C2H4 6.150E+10 0.00 4.278E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+C2H5 = CH2CH2COCH3+C2H6 5.000E+10 0.00 1.340E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+C2H5 = CH3CHCOCH3+C2H6 3.000E+10 0.00 8.600E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH3+C2H5 = C2H5COCH2+C2H6 5.000E+10 0.00 1.160E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3CHCOCH3+O2 = CH3CHOOCOCH3 1.000E+11 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3CHOOCOCH3 = CH2CHOOHCOCH3 8.900E+12 0.00 2.970E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H3COCH3+HO2 = CH2CHOOHCOCH3 7.000E+10 0.00 7.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2CH2CHO = C2H4+HCO 3.127E+13 -0.52 2.459E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH2CH2COCH3 = C2H4+CH3CO 1.000E+14 0.00 1.800E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C2H5COCH2 = CH2CO+C2H5 1.000E+14 0.00 3.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH IC3H6CHO + X --> PRODUCTS -C2H3COCH3+H = CH3CHCOCH3 5.000E+12 0.00 1.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH IC3H6CHO + X --> PRODUCTS -CH3CHCO+CH3 = CH3CHCOCH3 1.230E+11 0.00 7.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -NC3H7CHO+O2 = NC3H7CO+HO2 1.200E+05 2.50 3.756E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -NC3H7CHO+OH = NC3H7CO+H2O 2.000E+06 1.80 -1.300E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -NC3H7CHO+H = NC3H7CO+H2 4.140E+09 1.12 2.320E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -NC3H7CHO+O = NC3H7CO+OH 5.940E+12 0.00 1.868E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//HALF OF CH2O+HO2 -NC3H7CHO+HO2 = NC3H7CO+H2O2 4.090E+04 2.50 1.020E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -NC3H7CHO+CH3 = NC3H7CO+CH4 2.890E-03 4.62 3.210E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -NC3H7CHO+CH3O = NC3H7CO+CH3OH 1.000E+12 0.00 3.300E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -NC3H7CHO+CH3O2 = NC3H7CO+CH3O2H 4.090E+04 2.50 1.020E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -NC3H7CHO+OH = C3H6CHO-1+H2O 5.280E+09 0.97 1.586E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -NC3H7CHO+OH = C3H6CHO-2+H2O 4.680E+07 1.61 -3.500E+01 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -NC3H7CHO+OH = C3H6CHO-3+H2O 5.520E+02 3.12 -1.176E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -NC3H7CHO+HO2 = C3H6CHO-1+H2O2 2.379E+04 2.55 1.649E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -NC3H7CHO+HO2 = C3H6CHO-2+H2O2 9.640E+03 2.60 1.391E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -NC3H7CHO+HO2 = C3H6CHO-3+H2O2 3.440E+12 0.05 1.788E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -NC3H7CHO+CH3O2 = C3H6CHO-1+CH3O2H 2.379E+04 2.55 1.649E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -NC3H7CHO+CH3O2 = C3H6CHO-2+CH3O2H 9.640E+03 2.60 1.391E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -NC3H7CHO+CH3O2 = C3H6CHO-3+CH3O2H 3.440E+12 0.05 1.788E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7CO = NC3H7+CO 1.000E+11 0.00 9.600E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H6CHO-1 = C2H4+CH2CHO 7.400E+11 0.00 2.197E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H5CHCO+H = C3H6CHO-3 5.000E+12 0.00 1.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H3CHO+CH3 = C3H6CHO-3 1.230E+11 0.00 7.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -SC3H5CHO+H = C3H6CHO-2 5.000E+12 0.00 2.900E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H6+HCO = C3H6CHO-2 1.000E+11 0.00 6.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H5CHCO+OH = NC3H7+CO2 3.730E+12 0.00 -1.010E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H5CHCO+H = NC3H7+CO 4.400E+12 0.00 1.459E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H5CHCO+O = C3H6+CO2 3.200E+12 0.00 -4.370E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH ACETALDEHYDE -SC3H5CHO+OH = SC3H5CO+H2O 2.690E+10 0.76 -3.400E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -SC3H5CO = C3H5-S+CO 8.600E+15 0.00 2.300E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH IC3H5CHO + X --> IC3H5CO + HX -SC3H5CHO+HO2 = SC3H5CO+H2O2 1.000E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH IC3H5CHO + X --> IC3H5CO + HX -SC3H5CHO+CH3 = SC3H5CO+CH4 3.980E+12 0.00 8.700E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH IC3H5CHO + X --> IC3H5CO + HX -SC3H5CHO+O = SC3H5CO+OH 7.180E+12 0.00 1.389E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH IC3H5CHO + X --> IC3H5CO + HX -SC3H5CHO+O2 = SC3H5CO+HO2 4.000E+13 0.00 3.760E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH IC3H5CHO + X --> IC3H5CO + HX -SC3H5CHO+H = SC3H5CO+H2 2.600E+12 0.00 2.600E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H3COCH3+OH = CH3CHO+CH3CO 1.000E+11 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H3COCH3+OH = CH2CO+C2H3+H2O 5.100E+11 0.00 1.192E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H3COCH3+HO2 = CH2CHO+CH3CO+OH 6.030E+09 0.00 7.949E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H3COCH3+HO2 = CH2CO+C2H3+H2O2 8.500E+12 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H3COCH3+CH3O2 = CH2CHO+CH3CO+CH3O 3.970E+11 0.00 1.705E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H3COCH3+CH3O2 = CH2CO+C2H3+CH3O2H 3.010E+12 0.00 1.758E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//OEHLSCHLAEGER ET AL. -//J. PHYS. CHEM. A 2004, 108:4247-4253 -IC4H10 = TC4H9+H 2.510E+98 -23.81 1.453E+05 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//OEHLSCHLAEGER ET AL. -//J. PHYS. CHEM. A 2004, 108:4247-4253 -IC4H10 = IC4H9+H 9.850E+95 -23.11 1.476E+05 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG 90 -//CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 4. ISOBUTANE -//J. PHYS. CHEM. REF. DATA 19, 1-68 (1990) -IC4H10+H = TC4H9+H2 1.810E+06 2.54 6.756E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG 90 -//CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 4. ISOBUTANE -//J. PHYS. CHEM. REF. DATA 19, 1-68 (1990) -IC4H10+H = IC4H9+H2 6.020E+05 2.40 2.583E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG 90 -//CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 4. ISOBUTANE -//J. PHYS. CHEM. REF. DATA 19, 1-68 (1990) -IC4H10+CH3 = TC4H9+CH4 1.360E+00 3.65 7.154E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG 90 -//CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 4. ISOBUTANE -//J. PHYS. CHEM. REF. DATA 19, 1-68 (1990) -IC4H10+CH3 = IC4H9+CH4 9.040E-01 3.46 4.598E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TULLY, F.P., GOLDSMITH, J.E.M., AND DROEGE, A.T., -//J. PHYS. CHEM., 90, 5932 (1986) -IC4H10+OH = TC4H9+H2O 5.730E+10 0.51 6.300E+01 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TULLY, F.P., GOLDSMITH, J.E.M., AND DROEGE, A.T., -//J. PHYS. CHEM., 90, 5932 (1986) -IC4H10+OH = IC4H9+H2O 2.290E+08 1.53 7.760E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ALLARA AND SHAW ANALOG. -IC4H10+C2H5 = IC4H9+C2H6 1.510E+12 0.00 1.040E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM ISOBUTYL RATE -IC4H10+C2H5 = TC4H9+C2H6 1.000E+11 0.00 7.900E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.5) -IC4H10+HO2 = IC4H9+H2O2 1.215E+05 2.50 1.669E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.5) -IC4H10+HO2 = TC4H9+H2O2 1.500E+04 2.50 1.226E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FIT TO TSANG 90 AND COHEN DATA -//ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -IC4H10+O = TC4H9+OH 1.968E+05 2.40 1.150E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM FIT TO TSANG 90 AND COHEN DATA -//ON NIST STANDARD REFERENCE DATABASE 17 -2Q98 -IC4H10+O = IC4H9+OH 4.046E+07 2.03 5.136E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H8+CH3O -IC4H10+CH3O = IC4H9+CH3OH 4.800E+11 0.00 7.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H10+CH3O = TC4H9+CH3OH 1.900E+10 0.00 2.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H10+O2 = IC4H9+HO2 1.800E+14 0.00 4.600E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H10+O2 = TC4H9+HO2 2.040E+13 0.00 4.135E+04 0.0 0.0 0.0 - -IC4H10+CH3O2 = IC4H9+CH3O2H 1.215E+05 2.50 1.669E+04 0.0 0.0 0.0 -//REV/ 1.248E+05 1.99 1.435E+03 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 (*1.5) -IC4H10+C2H5O2 = IC4H9+C2H5O2H 2.550E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -IC4H10+CH3CO3 = IC4H9+CH3CO3H 2.550E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -IC4H10+NC3H7O2 = IC4H9+NC3H7O2H 2.550E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -IC4H10+IC3H7O2 = IC4H9+IC3H7O2H 2.550E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -IC4H10+IC4H9O2 = IC4H9+IC4H9O2H 2.550E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H6+HO2 -IC4H10+TC4H9O2 = IC4H9+TC4H9O2H 2.550E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H10+O2CHO = IC4H9+HO2CHO 2.520E+13 0.00 2.044E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H10+O2CHO = TC4H9+HO2CHO 2.800E+12 0.00 1.601E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H10+SC4H9O2 = IC4H9+SC4H9O2H 2.250E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -IC4H10+SC4H9O2 = TC4H9+SC4H9O2H 2.800E+12 0.00 1.600E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H10+PC4H9O2 = IC4H9+PC4H9O2H 2.250E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -IC4H10+PC4H9O2 = TC4H9+PC4H9O2H 2.800E+12 0.00 1.600E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM SCOTT AND WALKER C&F 129(4) 365--377 2002 -IC4H10+CH3O2 = TC4H9+CH3O2H 1.500E+04 2.50 1.226E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -IC4H10+C2H5O2 = TC4H9+C2H5O2H 2.800E+12 0.00 1.600E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -IC4H10+CH3CO3 = TC4H9+CH3CO3H 2.800E+12 0.00 1.600E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -IC4H10+NC3H7O2 = TC4H9+NC3H7O2H 2.800E+12 0.00 1.600E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -IC4H10+IC3H7O2 = TC4H9+IC3H7O2H 2.800E+12 0.00 1.600E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -IC4H10+IC4H9O2 = TC4H9+IC4H9O2H 2.800E+12 0.00 1.600E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -IC4H10+TC4H9O2 = TC4H9+TC4H9O2H 2.800E+12 0.00 1.600E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK AND PITZ ESTIMATE (1983) -IC4H10+IC4H9 = TC4H9+IC4H10 2.500E+10 0.00 7.900E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9+HO2 = IC4H9O+OH 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9+HO2 = TC4H9O+OH 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3O2+IC4H9 = CH3O+IC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3O2+TC4H9 = CH3O+TC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9 = IC4H8+H 4.980E+32 -6.23 4.007E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9 = C3H6+CH3 1.640E+37 -7.40 3.867E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9 = H+IC4H8 4.650E+46 -9.83 5.508E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -TC4H9+O2 = IC4H8+HO2 2.000E-18 0.00 5.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -IC4H9+O2 = IC4H8+HO2 2.000E-18 0.00 5.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+IC4H9 = NC3H7O+IC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+TC4H9 = NC3H7O+TC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -NC3H7O2+IC4H7 = NC3H7O+IC4H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+IC4H9 = SC4H9O+IC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+TC4H9 = SC4H9O+TC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+IC4H9 = PC4H9O+IC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+TC4H9 = PC4H9O+TC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -PC4H9O2+IC4H7 = PC4H9O+IC4H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -SC4H9O2+IC4H7 = SC4H9O+IC4H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9+O2 = IC4H9O2 2.260E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9+O2 = TC4H9O2 1.410E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -IC4H9O2+C4H10 = IC4H9O2H+SC4H9 1.120E+13 0.00 1.770E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WALKER, R. W., 22ND SYMPOSIUM (INTERNATIONAL) ON COMBUSTION -//SEATTLE, AUGUST, 1988 -TC4H9O2+C4H10 = TC4H9O2H+SC4H9 1.120E+13 0.00 1.770E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+C4H10 = IC4H9O2H+PC4H9 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+C4H10 = TC4H9O2H+PC4H9 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+IC4H9 = IC3H7O+IC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+TC4H9 = IC3H7O+TC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7O2+IC4H7 = IC3H7O+IC4H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -IC4H9O2+C3H6 = IC4H9O2H+C3H5-A 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H6+HO2 -TC4H9O2+C3H6 = TC4H9O2H+C3H5-A 3.240E+11 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+IC4H8 = IC4H9O2H+IC4H7 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+IC4H8 = TC4H9O2H+IC4H7 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -PC4H9O2+IC4H8 = PC4H9O2H+IC4H7 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -SC4H9O2+IC4H8 = SC4H9O2H+IC4H7 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC3H7O2+IC4H8 = IC3H7O2H+IC4H7 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -NC3H7O2+IC4H8 = NC3H7O2H+IC4H7 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+C4H8-1 = IC4H9O2H+C4H71-3 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+C4H8-1 = TC4H9O2H+C4H71-3 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+C4H8-2 = IC4H9O2H+C4H71-3 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+C4H8-2 = TC4H9O2H+C4H71-3 1.400E+12 0.00 1.490E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -CC4H8O+OH = CH2O+C3H5-A+H2O 5.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -CC4H8O+H = CH2O+C3H5-A+H2 3.510E+07 2.00 5.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -CC4H8O+O = CH2O+C3H5-A+OH 1.124E+14 0.00 5.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -CC4H8O+HO2 = CH2O+C3H5-A+H2O2 1.000E+13 0.00 1.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -CC4H8O+CH3O2 = CH2O+C3H5-A+CH3O2H 1.000E+13 0.00 1.900E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -CC4H8O+CH3 = CH2O+C3H5-A+CH4 2.000E+11 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C2H4+HO2=C2H4O+OH. -//25 PERCENT OF BALDWIN ET AL (1986) RATE -C2H4+TC4H9O2 = C2H3+TC4H9O2H 7.000E+11 0.00 1.711E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+CH4 = TC4H9O2H+CH3 1.130E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -H2+TC4H9O2 = H+TC4H9O2H 3.010E+13 0.00 2.603E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+C2H6 = TC4H9O2H+C2H5 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+C3H8 = TC4H9O2H+IC3H7 2.000E+12 0.00 1.700E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+C3H8 = TC4H9O2H+NC3H7 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+CH3OH = TC4H9O2H+CH2OH 6.300E+12 0.00 1.936E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+C2H5OH = TC4H9O2H+PC2H4OH 6.300E+12 0.00 1.936E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+C2H5OH = TC4H9O2H+SC2H4OH 4.200E+12 0.00 1.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 156: 451 461 (2008) -//HALF OF CH2O+HO2 -IC4H9O2+CH3CHO = IC4H9O2H+CH3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 156: 451 461 (2008) -//HALF OF CH2O+HO2 -TC4H9O2+CH3CHO = TC4H9O2H+CH3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 156: 451 461 (2008) -//HALF OF CH2O+HO2 -IC4H9O2+C2H3CHO = IC4H9O2H+C2H3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 156: 451 461 (2008) -//HALF OF CH2O+HO2 -TC4H9O2+C2H3CHO = TC4H9O2H+C2H3CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 156: 451 461 (2008) -//HALF OF CH2O+HO2 -IC4H9O2+C2H5CHO = IC4H9O2H+C2H5CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 156: 451 461 (2008) -//HALF OF CH2O+HO2 -TC4H9O2+C2H5CHO = TC4H9O2H+C2H5CO 2.800E+12 0.00 1.360E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 156: 451 461 (2008) -IC4H9O2+HO2 = IC4H9O2H+O2 1.750E+10 0.00 -3.275E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 156: 451 461 (2008) -TC4H9O2+HO2 = TC4H9O2H+O2 1.750E+10 0.00 -3.275E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 156: 451 461 (2008) -IC4H9O2+H2O2 = IC4H9O2H+HO2 2.400E+12 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 156: 451 461 (2008) -TC4H9O2+H2O2 = TC4H9O2H+HO2 2.400E+12 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+CH2O = IC4H9O2H+HCO 1.300E+11 0.00 9.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -TC4H9O2+CH2O = TC4H9O2H+HCO 1.300E+11 0.00 9.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+CH3O2 = IC4H9O+CH3O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+CH3O2 = TC4H9O+CH3O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+C2H5O2 = IC4H9O+C2H5O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+C2H5O2 = TC4H9O+C2H5O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+CH3CO3 = IC4H9O+CH3CO2+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+CH3CO3 = TC4H9O+CH3CO2+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+IC4H9O2 = O2+IC4H9O+IC4H9O 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+TC4H9O2 = IC4H9O+TC4H9O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+TC4H9O2 = O2+TC4H9O+TC4H9O 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+PC4H9O2 = IC4H9O+PC4H9O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+PC4H9O2 = TC4H9O+PC4H9O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+SC4H9O2 = IC4H9O+SC4H9O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+SC4H9O2 = TC4H9O+SC4H9O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+NC3H7O2 = IC4H9O+NC3H7O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+NC3H7O2 = TC4H9O+NC3H7O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+IC3H7O2 = IC4H9O+IC3H7O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+IC3H7O2 = TC4H9O+IC3H7O+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+HO2 = IC4H9O+OH+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+HO2 = TC4H9O+OH+O2 1.400E+16 -1.61 1.860E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+CH3 = IC4H9O+CH3O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+C2H5 = IC4H9O+C2H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+IC3H7 = IC4H9O+IC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+NC3H7 = IC4H9O+NC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+PC4H9 = IC4H9O+PC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+SC4H9 = IC4H9O+SC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+IC4H9 = IC4H9O+IC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+TC4H9 = IC4H9O+TC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+C3H5-A = IC4H9O+C3H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+C4H71-3 = IC4H9O+C4H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2+IC4H7 = IC4H9O+IC4H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+CH3 = TC4H9O+CH3O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+C2H5 = TC4H9O+C2H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+IC3H7 = TC4H9O+IC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+NC3H7 = TC4H9O+NC3H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+PC4H9 = TC4H9O+PC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+SC4H9 = TC4H9O+SC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+IC4H9 = TC4H9O+IC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+TC4H9 = TC4H9O+TC4H9O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+C3H5-A = TC4H9O+C3H5O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+C4H71-3 = TC4H9O+C4H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2+IC4H7 = TC4H9O+IC4H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+C2H4 = IC4H9O2H+C2H3 2.000E+11 0.00 6.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+CH4 = IC4H9O2H+CH3 1.130E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -H2+IC4H9O2 = H+IC4H9O2H 3.010E+13 0.00 2.603E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+C2H6 = IC4H9O2H+C2H5 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+C3H8 = IC4H9O2H+IC3H7 2.000E+12 0.00 1.700E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+C3H8 = IC4H9O2H+NC3H7 1.700E+13 0.00 2.046E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+CH3OH = IC4H9O2H+CH2OH 6.300E+12 0.00 1.936E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+C2H5OH = IC4H9O2H+PC2H4OH 6.300E+12 0.00 1.936E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK ESTIMATE -IC4H9O2+C2H5OH = IC4H9O2H+SC2H4OH 4.200E+12 0.00 1.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2H = IC4H9O+OH 1.500E+16 0.00 4.250E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2H = TC4H9O+OH 5.950E+15 0.00 4.254E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY CH3O + X --> CH2O + HX TSANG/HAMPSON 86 -IC4H9O+HO2 = IC3H7CHO+H2O2 1.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY CH3O + X --> CH2O + HX TSANG/HAMPSON 86 -IC4H9O+OH = IC3H7CHO+H2O 1.810E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY CH3O + X --> CH2O + HX TSANG/HAMPSON 86 -IC4H9O+CH3 = IC3H7CHO+CH4 2.400E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY CH3O + X --> CH2O + HX TSANG/HAMPSON 86 -IC4H9O+O = IC3H7CHO+OH 6.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY CH3O + X --> CH2O + HX TSANG/HAMPSON 86 -IC4H9O+H = IC3H7CHO+H2 1.990E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O = IC3H7CHO+H 4.000E+14 0.00 2.150E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O = CH2O+IC3H7 2.000E+14 0.00 1.750E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3COCH3+CH3 = TC4H9O 1.500E+11 0.00 1.190E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ZABARNICK, S. AND HEICKLEN, J., IJCK, 17, 503 (1985). -IC4H9O+O2 = IC3H7CHO+HO2 1.930E+11 0.00 1.660E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -TC4H9O+O2 = IC4H8O+HO2 8.100E+11 0.00 4.700E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O = IC3H7CHO 4.180E+13 0.00 5.272E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O+OH = IC3H6CHO+H2O 1.250E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O+H = IC3H6CHO+H2 1.250E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O+HO2 = IC3H6CHO+H2O2 2.500E+12 0.00 1.500E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O+CH3O2 = IC3H6CHO+CH3O2H 2.500E+12 0.00 1.900E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O+CH3 = IC3H6CHO+CH4 5.000E+10 0.00 1.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O+O = IC3H6CHO+OH 1.250E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC3H6CHO+H = IC3H7CHO 2.000E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -IC3H7+HCO = IC3H7CHO 1.810E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H7CHO+HO2 = IC3H7CO+H2O2 3.000E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BALDWIN, R.R.; WALKER, R.W. -//SYMP. INTL. CPMB. PROC. 1979, 17, 525. -IC3H7CHO+HO2 = TC3H6CHO+H2O2 8.000E+10 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BIRRELL, R.N.; TROTMAN-DICKENSON, A.F. -//J. CHEM. SOC. 1960, 2059 -IC3H7CHO+CH3 = IC3H7CO+CH4 3.980E+12 0.00 8.700E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//SINGLETON, D.L. ET AL. CAN. J. CHEM. 1977, 55, 3321. -IC3H7CHO+O = IC3H7CO+OH 7.180E+12 0.00 1.389E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BALDWIN, R.R. ET AL. -//J. CHEM. SOC. FAR. TRANS. 1979, 75, 1433 -IC3H7CHO+O2 = IC3H7CO+HO2 4.000E+13 0.00 3.760E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//SEMMES ET AL. INTL. J. CHEM. KINET. 1985, 17, 303. -IC3H7CHO+OH = IC3H7CO+H2O 2.690E+10 0.76 -3.400E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//SEMMES ET AL. INTL. J. CHEM. KINET. 1985, 17, 303. -IC3H7CHO+OH = TC3H6CHO+H2O 1.684E+12 0.00 -7.810E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -IC3H7CHO+H = IC3H7CO+H2 2.600E+12 0.00 2.600E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -IC3H7CHO+OH = IC3H6CHO+H2O 3.120E+06 2.00 -2.980E+02 0.0 0.0 0.0 -//REV/ 6.388E+05 1.99 1.913E+04 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -IC3H7CHO+HO2 = IC3H6CHO+H2O2 2.740E+04 2.55 1.550E+04 0.0 0.0 0.0 -//REV/ 3.330E+04 2.21 3.468E+03 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -IC3H7CHO+CH3O2 = IC3H6CHO+CH3O2H 4.760E+04 2.55 1.649E+04 0.0 0.0 0.0 -//REV/ 2.377E+05 2.04 3.742E+03 / - -//HEALY ET AL C&F, 155: 451 461 (2008) -//NAROZNIK, M; NIEDZIELSKI, J. J. PHOTOCHEM. 1986, 32, 281 -IC3H7+CO = IC3H7CO 1.500E+11 0.00 4.810E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H6+HCO = IC3H6CHO 1.000E+11 0.00 7.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C2H3CHO+CH3 = IC3H6CHO 1.000E+11 0.00 7.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8+OH = IC4H8OH 9.930E+11 0.00 -9.600E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8OH+O2 = IO2C4H8OH 1.200E+11 0.00 -1.100E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IO2C4H8OH = CH3COCH3+CH2O+OH 1.250E+10 0.00 1.890E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2 = IC4H8O2H-I 7.500E+10 0.00 2.440E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2 = TC4H8O2H-I 9.000E+11 0.00 2.940E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2 = IC4H8O2H-T 1.000E+11 0.00 2.410E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H9O2 = IC4H8+HO2 4.530E+35 -7.22 3.949E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H9O2 = IC4H8+HO2 1.523E+43 -9.41 4.149E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O2H-I+O2 = IC4H8OOH-IO2 2.260E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H8O2H-I+O2 = TC4H8OOH-IO2 2.260E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O2H-T+O2 = IC4H8OOH-TO2 1.410E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8OOH-IO2 = IC4KETII+OH 2.500E+10 0.00 2.140E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8OOH-TO2 = IC4KETIT+OH 2.000E+11 0.00 2.640E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4KETII = CH2O+C2H5CO+OH 1.500E+16 0.00 4.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4KETIT = CH3COCH3+HCO+OH 9.500E+15 0.00 4.254E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8+HO2 = TC4H8O2H-I 3.970E+11 0.00 1.262E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8+HO2 = IC4H8O2H-T 3.970E+11 0.00 1.262E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O2H-I = CC4H8O+OH 7.500E+10 0.00 1.525E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O2H-T = IC4H8O+OH 6.000E+11 0.00 2.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H8O2H-I = IC4H8O+OH 6.000E+11 0.00 2.200E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O2H-I = OH+CH2O+C3H6 8.451E+15 -0.68 2.917E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8 = C3H5-T+CH3 1.920E+66 -14.22 1.281E+05 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8 = IC4H7+H 3.070E+55 -11.49 1.143E+05 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8+H = C3H6+CH3 5.680E+33 -5.72 2.000E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H8+R TSANG,W. -//CHEMICAL KINETIC DATA BASE FOR HYDROCARBON PYROLYSIS -//IND. ENG. CHEM. 31, 3-8 (1992) -IC4H8+H = IC4H7+H2 3.400E+05 2.50 2.492E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H8+R TSANG,W. -//CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART V. PROPENE -//J. PHYS. CHEM. REF. DATA 20, 221-273 (1991) -IC4H8+O = CH2CO+CH3+CH3 3.330E+07 1.76 7.600E+01 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H8+R TSANG,W. -//CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART V. PROPENE -//J. PHYS. CHEM. REF. DATA 20, 221-273 (1991) -IC4H8+O = IC3H6CO+H+H 1.660E+07 1.76 7.600E+01 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H8+R TSANG,W. -//CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART V. PROPENE -//J. PHYS. CHEM. REF. DATA 20, 221-273 (1991) -IC4H8+O = IC4H7+OH 1.206E+11 0.70 7.633E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8+CH3 = IC4H7+CH4 4.420E+00 3.50 5.675E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8+HO2 = IC4H7+H2O2 1.928E+04 2.60 1.391E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8+O2CHO = IC4H7+HO2CHO 1.928E+04 2.60 1.391E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8+O2 = IC4H7+HO2 6.000E+12 0.00 3.990E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK AND PITZ ESTIMATE (1983) -IC4H8+C3H5-A = IC4H7+C3H6 7.940E+11 0.00 2.050E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK AND PITZ ESTIMATE (1983) -IC4H8+C3H5-S = IC4H7+C3H6 7.940E+11 0.00 2.050E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//WESTBROOK AND PITZ ESTIMATE (1983) -IC4H8+C3H5-T = IC4H7+C3H6 7.940E+11 0.00 2.050E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H8+R TSANG,W. (REDUCED BY 20%) -//CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART V. PROPENE -//J. PHYS. CHEM. REF. DATA 20, 221-273 (1991) -IC4H8+OH = IC4H7+H2O 5.200E+06 2.00 -2.980E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO C3H8+R TSANG,W. -//CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART V. PROPENE -//J. PHYS. CHEM. REF. DATA 20, 221-273 (1991) -IC4H8+O = IC3H7+HCO 1.580E+07 1.76 -1.216E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8+CH3O2 = IC4H7+CH3O2H 1.928E+04 2.60 1.391E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//BALDWIN, R. R., DEAN, C. E., AND WALKER, R. W., -//JCS FARADAY 2, 82, 1445 (1986) -IC4H8+HO2 = IC4H8O+OH 1.290E+12 0.00 1.334E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7+O2 = IC3H5CHO+OH 2.470E+13 -0.45 2.302E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7+O2 = CH3COCH2+CH2O 7.140E+15 -1.21 2.105E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7+O2 = C3H4-A+CH2O+OH 7.290E+29 -5.71 2.145E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7+O = IC3H5CHO+H 6.030E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7 = C3H4-A+CH3 1.230E+47 -9.74 7.426E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -CH3O2+IC4H7 = CH3O+IC4H7O 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7+HO2 = IC4H7O+OH 7.000E+12 0.00 -1.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H5-T+CH2O = IC4H7O 1.0E+11 0.0 12600.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7O = IC4H6OH 1.391E+11 0.00 1.560E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7O = IC3H5CHO+H 5.000E+13 0.00 2.910E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H6OH+H2 = IC4H7OH+H 2.160E+04 2.38 1.899E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7OH+O2 = IC4H6OH+HO2 6.000E+13 0.00 3.990E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H6OH+CH2O = IC4H7OH+HCO 6.300E+08 1.90 1.819E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H6OH+IC4H8 = IC4H7OH+IC4H7 4.700E+02 3.30 1.984E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H6OH+H = IC4H7OH 1.000E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H6OH+H2O2 = IC4H7OH+HO2 7.830E+05 2.05 1.358E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H4-A+CH2OH = IC4H6OH 1.0E+11 0.0 9200.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY C2H5O + O2 --> CH3CHO + HO2 -//FROM BAULCH ET AL. J. PHYS. CHEM. REF. DATA, 21, 411--429, 1992 -IC4H7O+O2 = IC3H5CHO+HO2 3.000E+10 0.00 1.649E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -//ANALOGY CH3O + X --> CH2O + HX -IC4H7O+HO2 = IC3H5CHO+H2O2 3.000E+11 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -//ANALOGY CH3O + X --> CH2O + HX -IC4H7O+CH3 = IC3H5CHO+CH4 2.400E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -//ANALOGY CH3O + X --> CH2O + HX -IC4H7O+O = IC3H5CHO+OH 6.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -//ANALOGY CH3O + X --> CH2O + HX -IC4H7O+OH = IC3H5CHO+H2O 1.810E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//FROM TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 -//ANALOGY CH3O + X --> CH2O + HX -IC4H7O+H = IC3H5CHO+H2 1.990E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -IC3H5CHO+OH = IC3H5CO+H2O 2.690E+10 0.76 -3.400E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H5CHO+HO2 = IC3H5CO+H2O2 1.000E+12 0.00 1.192E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H5CHO+CH3 = IC3H5CO+CH4 3.980E+12 0.00 8.700E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H5CHO+O = IC3H5CO+OH 7.180E+12 0.00 1.389E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H5CHO+O2 = IC3H5CO+HO2 2.000E+13 0.00 4.070E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H5CHO+H = IC3H5CO+H2 2.600E+12 0.00 2.600E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H5-T+CO = IC3H5CO 1.510E+11 0.00 4.809E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC3H6CHO+HO2 = TC3H6OCHO+OH 9.640E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN AND GAFFURI, 1995. -TC3H6OCHO = CH3COCH3+HCO 3.980E+13 0.00 9.700E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH C3H6 + H --> IC3H7 X 2. -//TSANG, W., IND. ENG. CHEM. 1992, 31, 3--8 -IC3H5CHO+H = TC3H6CHO 1.300E+13 0.00 1.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC3H6CO+H = TC3H6CHO 1.300E+13 0.00 4.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH C3H5-A + X --> PRODUCTS. LITERATURE VALUES -TC3H6CHO+H2 = IC3H7CHO+H 2.160E+05 2.38 1.899E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -IC4H7O+OH = IC4H7OOH 1.000E+11 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -IC4H7O+H = IC4H7OH 4.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7OH+H = IC4H8OH 1.000E+13 0.00 1.200E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH HCO + H2 --> CH2O + H -//(TSANG/HAMPSON 86) X 5 -IC4H7O+H2 = IC4H7OH+H 9.050E+06 2.00 1.783E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H7+OH = IC4H7OH 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -IC4H7OH+HCO = IC4H7O+CH2O 3.020E+11 0.00 1.816E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH C3H5-A + X --> PRODUCTS. LITERATURE VALUES -TC3H6CHO+CH2O = IC3H7CHO+HCO 2.520E+08 1.90 1.819E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH C3H5-A + X --> PRODUCTS. LITERATURE VALUES -TC3H6CHO+IC4H8 = IC3H7CHO+IC4H7 4.700E+02 3.30 1.984E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY TO 1C4H8+OH -IC3H6CO+OH = IC3H7+CO2 1.730E+12 0.00 -1.010E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -TC3H6CHO+OH = TC3H6OHCHO 5.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//TSANG, W. CHEMICAL KINETIC DATA BASE FOR COMBUSTION CHEMISTRY. PART 3. PROPANE -//J. PHYS. CHEM. REF. DATA 17, 887 (1988) -TC3H6OH+HCO = TC3H6OHCHO 1.810E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH CH3CHOH --> CH3CHO + H. -//NATARAJAN & BHASKARAN SYMP. INTL. SHOCK 13 -CH3COCH3+H = TC3H6OH 1.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//ANALOGY WITH C3H6 + H --> IC3H7 X 2. -//TSANG, W., IND. ENG. CHEM. 1992, 31, 3--8 -IC3H5OH+H = TC3H6OH 1.300E+13 0.00 1.560E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -C3H5-T+OH = IC3H5OH 5.0E+13 0.0 0.0 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC3H6CHO+O2 = TC3H6O2CHO 1.990E+17 -2.10 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC3H6O2CHO = IC3H5O2HCHO 6.000E+11 0.00 2.988E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC3H6O2CHO = TC3H6O2HCO 1.000E+11 0.00 2.575E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//REVERSE ANALOGY IC4H8 + CH3 --> NEOC5H11. -//SLAGLE ET AL. J. PHYS. CHEM. 1991, 95 -IC3H5CHO+HO2 = IC3H5O2HCHO 2.230E+11 0.00 1.060E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC3H6O2HCO = CH3COCH3+CO+OH 4.244E+18 -1.43 4.800E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//MIYOSHI, A; MATSUI, H; WASHIDA, N.; -//J. PHYS. CHEM. 1990, 94, 3016 -TC3H6OH+O2 = CH3COCH3+HO2 2.230E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -IC3H6CO+OH = TC3H6OH+CO 2.000E+12 0.00 -1.010E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -TC3H6CHO+O2 = IC3H5CHO+HO2 2.725E-19 0.00 7.240E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//THIS REACTION HAS BEEN EFFECTIVELY REMOVED BY CURRAN -TC3H6CHO+O2 = CH3COCH3+CO+OH 3.620E-20 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//LOHDI, Z.H.; WALKER, R.W.; -//J. CHEM. SOC. FARAD. 1991 87, 2361 (C3H5-A + HO2) (X 0.5) -TC3H6CHO+HO2 = IC3H7CHO+O2 3.675E+12 0.00 1.310E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -TC3H6CHO+CH3 = IC3H5CHO+CH4 3.010E+12 -0.32 -1.310E+02 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H8CHO = IC3H5CHO+CH3 1.000E+13 0.00 2.629E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -TC4H8CHO = IC4H8+HCO 8.520E+12 0.00 2.009E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -TC4H8CHO+O2 = O2C4H8CHO 2.000E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -O2C4H8CHO = O2HC4H8CO 2.160E+11 0.00 1.536E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H8O2H-T+CO = O2HC4H8CO 1.500E+11 0.00 4.809E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//PITZ ESTIMATE -IC4H7O+IC4H8 = IC4H7OH+IC4H7 2.700E+11 0.00 4.000E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -IC4H6OH+HO2 = CH2CCH2OH+CH2O+OH 1.446E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -IC4H8+CH2CCH2OH = IC4H7+C3H5OH 7.940E+11 0.00 2.050E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH2CCH2OH+H2O2 = C3H5OH+HO2 3.010E+09 0.00 2.583E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H5OH+OH = CH2CCH2OH+H2O 5.060E+12 0.00 5.960E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H5OH+H = CH2CCH2OH+H2 3.900E+05 2.50 5.821E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H5OH+O2 = CH2CCH2OH+HO2 4.000E+13 0.00 6.069E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H5OH+CH3 = CH2CCH2OH+CH4 2.400E+11 0.00 8.030E+03 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH2CCH2OH+CH3 = IC4H7OH 3.000E+13 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH2CCH2OH+H = C3H5OH 1.000E+14 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH2CCH2OH+O2 = CH2OH+CO+CH2O 4.335E+12 0.00 0.000E+00 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -CH2CCH2OH = C2H2+CH2OH 2.163E+40 -8.31 4.511E+04 0.0 0.0 0.0 - -//HEALY ET AL C&F, 155: 451 461 (2008) -//CURRAN ESTIMATE -C3H4-A+OH = CH2CCH2OH 8.5E+12 0.0 2000.0 0.0 0.0 0.0 -//////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////// -//METHYL FORMATE SUBMECHANISM, DOOLEY ET AL. IJCK 2009 -//////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////// -H+CH2OCHO = CH3OCHO 1.0E+14 0.0 0.0E+00 0.0 0.0 0.0 -H+CH3OCO = CH3OCHO 1.0E+14 0.0 0.0E+00 0.0 0.0 0.0 -CH3OCHO + H = CH2OCHO + H2 665417.0 2.537 6494.2 0.0 0.0 0.0 -CH3OCHO + OH = CH2OCHO + H2O 8.858E+12 0.054 3340.5 0.0 0.0 0.0 -CH3OCHO + CH3 = CH2OCHO + CH4 2.910E-01 3.700 6823.8 0.0 0.0 0.0 -CH3OCHO + HO2 = CH2OCHO + H2O2 56594.9 2.440 16594.3 0.0 0.0 0.0 -CH3OCHO + CH3O2 = CH2OCHO + CH3O2H 56594.9 2.440 16594.3 0.0 0.0 0.0 -CH3OCHO + CH3O = CH2OCHO + CH3OH 4.59E+09 0.450 4823.6 0.0 0.0 0.0 -CH3OCHO + O = CH2OCHO + OH 884346.9 2.440 4593.2 0.0 0.0 0.0 -CH3OCHO + O2 = CH2OCHO + HO2 1.533E+13 0.0796 51749.8 0.0 0.0 0.0 -CH3OCHO + HCO = CH2OCHO + CH2O 1.025E+05 2.50 1.843E+04 0.0 0.0 0.0 -CH3OCHO + C2H5 = CH2OCHO + C2H6 1.0E+11 0.0 1.040E+04 0.0 0.0 0.0 -CH3OCHO + C2H3 = CH2OCHO + C2H4 1.0E+11 0.0 1.040E+04 0.0 0.0 0.0 -CH3OCHO + OCHO = CH2OCHO + HCOOH 56594.9 2.440 16594.3 0.0 0.0 0.0 -CH3OCHO + H = CH3OCO + H2 257664.5 2.52E+00 5736.8 0.0 0.0 0.0 -CH3OCHO + OH = CH3OCO + H2O 1.22E+16 -9.81E-01 4946.1 0.0 0.0 0.0 -CH3OCHO + CH3 = CH3OCO + CH4 0.09212 3.69E+00 6052.6 0.0 0.0 0.0 -CH3OCHO + CH3O2 = CH3OCO + CH3O2H 156602 2.18E+00 16544.4 0.0 0.0 0.0 -CH3OCHO + HO2 = CH3OCO + H2O2 156602 2.18E+00 16544.4 0.0 0.0 0.0 -CH3OCHO + CH3O = CH3OCO + CH3OH 5.27E+09 8.30E-01 2912.4 0.0 0.0 0.0 -CH3OCHO + O = CH3OCO + OH 245142.0 2.47E+00 4047.8 0.0 0.0 0.0 -CH3OCHO + O2 = CH3OCO + HO2 3.847E+12 1.13E-01 50759.6 0.0 0.0 0.0 -CH3OCHO + HCO = CH3OCO + CH2O 5.400E+06 1.90 1.701E+04 0.0 0.0 0.0 -CH3OCHO + C2H5 = CH3OCO + C2H6 1.0E+11 0.0 1.040E+04 0.0 0.0 0.0 -CH3OCHO + C2H3 = CH3OCO + C2H4 1.0E+11 0.0 1.040E+04 0.0 0.0 0.0 -CH3OCHO + OCHO = CH3OCO + HCOOH 156602 2.180 16544.4 0.0 0.0 0.0 -CH3OCO + CH3OCHO = CH3OCHO + CH2OCHO 1.000E+11 0.00 1.040E+04 0.0 0.0 0.0 -CH3 + CO2 = CH3OCO 4.76E+07 1.54 3.47E+04 0.0 0.0 0.0 -CH3O + CO = CH3OCO 1.55E+06 2.02 5.73E+03 0.0 0.0 0.0 -CH2OCHO = CH3OCO 2.62E11 -0.03 38178 0.0 0.0 0.0 -CH2O + HCO = CH2OCHO 3.89E11 0.0 22000 0.0 0.0 0.0 -OCH2OCHO = HOCH2OCO 1.000E+11 0.00 1.400E+04 0.0 0.0 0.0 -HOCH2OCO = HOCH2O + CO 2.238E+19 -2.02 1.969E+04 0.0 0.0 0.0 -HOCH2OCO = CH2OH + CO2 2.413E+17 -1.57 2.212E+04 0.0 0.0 0.0 -CH2O + OCHO = OCH2OCHO 3.89E11 0.0 2500 0.0 0.0 0.0 -//CH2O+VINYL RAUK ET AL. IMPORTANT: DO NOT DISCARD IN SUBMECHANISM, THIS REACTION IS ALSO DESCRIBED IN DME OXIDATION. -CH3OCO + HCO = CH3OCHO + CO 1E14 0.0 0.0 0.0 0.0 0.0 -CH2OCHO + HCO = CH3OCHO + CO 1E14 0.0 0.0 0.0 0.0 0.0 -CH3OCO + HO2 = CH3OC*OOOH 7E12 0 -1000 0.0 0.0 0.0 -CH2OCHO + HO2 = HO2CH2OCHO 7E12 0 -1000 0.0 0.0 0.0 -CH3OC*OO + OH = CH3OC*OOOH 1.550E+06 2.41 -4.132E+03 0.0 0.0 0.0 -//Reverse of NC3H7O2H = NC3H7O + OH computed from forward expressions of Healy et al, -OCH2OCHO + OH = HO2CH2OCHO 1.550E+06 2.41 -4.132E+03 0.0 0.0 0.0 -//Reverse of NC3H7O2H = NC3H7O + OH computed from forward expressions of Healy et al, -CH2OCHO + CH3O = CH3OC*OO + CH3 7E12 0.0 -1000 0.0 0.0 0.0 -CH3OCO + CH3O = OCH2OCHO + CH3 7E12 0.0 -1000 0.0 0.0 0.0 -CO2 + CH3O = CH3OC*OO 1.00E+11 0.0 9200.0 0.0 0.0 0.0 -CH3OCO + O2 = CH3OC*OOO 4.50E+12 0.0 0.0 0.0 0.0 0.0 -CH2OCHO + O2 = OOCH2OCHO 4.50E+12 0.0 0.0 0.0 0.0 0.0 -OOCH2OCHO = HOOCH2OC*O 2.47E11 0.0 28900 0.0 0.0 0.0 -CH3OC*OOO = CH2OC*OOOH 7.41E11 0.0 28900 0.0 0.0 0.0 -CH2O2H+CO2 = HOOCH2OC*O 2.92E6 1.65 36591 0.0 0.0 0.0 -OCH2O2H+CO = HOOCH2OC*O 1.08E7 1.633 5588 0.0 0.0 0.0 -OH+CH2O = CH2O2H 2.30E+10 0.0 12900 0.0 0.0 0.0 -CH2OC*OOOH => CH2O + CO2 + OH 3.801E+18 -1.47 3.736E+04 0.0 0.0 0.0 -CH2OC*OOOH => CH2O + CO + HO2 3.801E+18 -1.47 3.736E+04 0.0 0.0 0.0 -CH2OC*OOOH => CYOCH2OC*O + OH 7.50E+10 0.0 15250.0 0.0 0.0 0.0 -HOOCH2OC*O => CYOCH2OC*O + OH 7.50E+10 0.0 15250.0 0.0 0.0 0.0 -CH2OC*OOOH + O2 = OOCH2OC*OOOH 4.52E+12 0.0 0.0 0.0 0.0 0.0 -HOOCH2OC*O + O2 = HOOCH2OC*OOO 7.54E+12 0.0 0.0 0.0 0.0 0.0 -HOOCH2OC*OOO = O*CHOC*OOOH + OH 2.89E+10 0.0 21863 0.0 0.0 0.0 -O*CHOC*OOOH => CO2 + OCHO + OH 1.050E+16 0.0 41600.0 0.0 0.0 0.0 -CYOCH2OC*O + H = CHOOCO + H2 4.800E+08 1.5 2005.0 0.0 0.0 0.0 -CYOCH2OC*O + OH = CHOOCO + H2O 2.400E+06 2.0 -1192.2 0.0 0.0 0.0 -CYOCH2OC*O + HO2 = CHOOCO + H2O2 4.000E+12 0.0 12976.7 0.0 0.0 0.0 -OCHO + CO = CHOOCO 1.500E+11 0.0 3000.0 0.0 0.0 0.0 -HCO + CO2 = CHOOCO 1.500E+11 0.0 36730.0 0.0 0.0 0.0 -//CONSIDER ETHYL FORMATE FORAMATION AND CONSUMPTION FROM WESTBROOK -CH3 + CH2OCHO = EF 3.0E13 0.0 0.0 0.0 0.0 0.0 -EF + H = EFP + H2 1.88E+05 2.8 6280.0 0.0 0.0 0.0 -EF + O2 = EFP + HO2 2.00E+13 0.0 47500.0 0.0 0.0 0.0 -EF + O = EFP + OH 1.03E+14 0.0 7850.0 0.0 0.0 0.0 -EF + OH = EFP + H2O 1.05E+10 1.0 1586.0 0.0 0.0 0.0 -EF + HO2 = EFP + H2O2 1.68E+13 0.0 20430.0 0.0 0.0 0.0 -EF + CH3 = EFP + CH4 1.29E+12 0.0 11600.0 0.0 0.0 0.0 -EF + C2H3 = EFP + C2H4 1.00E+11 0.0 10400.0 0.0 0.0 0.0 -EF + C2H5 = EFP + C2H6 1.00E+11 0.0 10400.0 0.0 0.0 0.0 -EF + CH3O = EFP + CH3OH 3.00E+11 0.0 7000.0 0.0 0.0 0.0 -EF + CH3O2 = EFP + CH3O2H 1.70E+13 0.0 20460.0 0.0 0.0 0.0 -EFP = C2H4 + OCHO 1.34E+13 -0.4 24610.0 0.0 0.0 0.0 -EF + O2 = EFS + HO2 4.00E+13 0.0 47500.0 0.0 0.0 0.0 -EF + H = EFS + H2 3.25E+05 2.4 4471.0 0.0 0.0 0.0 -EF + O = EFS + OH 2.81E+13 0.0 5200.0 0.0 0.0 0.0 -EF + OH = EFS + H2O 1.16E+07 1.6 -35.0 0.0 0.0 0.0 -EF + HO2 = EFS + H2O2 5.60E+12 0.0 17700.0 0.0 0.0 0.0 -EF + CH3 = EFS + CH4 3.98E+11 0.0 9500.0 0.0 0.0 0.0 -EF + C2H3 = EFS + C2H4 1.00E+11 0.0 10400.0 0.0 0.0 0.0 -EF + C2H5 = EFS + C2H6 1.00E+11 0.0 10400.0 0.0 0.0 0.0 -EF + CH3O = EFS + CH3OH 3.00E+11 0.0 7000.0 0.0 0.0 0.0 -EF + CH3O2 = EFS + CH3O2H 2.00E+12 0.0 17000.0 0.0 0.0 0.0 -EFS = CH3CHO + HCO 4.17E+15 -0.9 14040.0 0.0 0.0 0.0 -EF + H = EFF + H2 6.50E+05 2.4 4471.0 0.0 0.0 0.0 -EF + O = EFF + OH 5.51E+05 2.5 2830.0 0.0 0.0 0.0 -EF + OH = EFF + H2O 2.33E+07 1.6 -35.0 0.0 0.0 0.0 -EF + CH3 = EFF + CH4 1.51E+00 3.5 5481.0 0.0 0.0 0.0 -EF + HO2 = EFF + H2O2 9.64E+03 2.6 13910.0 0.0 0.0 0.0 -EF + O2 = EFF + HO2 2.00E+13 0.0 49700.0 0.0 0.0 0.0 -EF + CH3O = EFF + CH3OH 5.48E+11 0.0 5000.0 0.0 0.0 0.0 -EF + CH3O2 = EFF + CH3O2H 4.82E+03 2.6 13910.0 0.0 0.0 0.0 -C2H5 + CO2 = EFF 4.76E+07 1.5 37410.0 0.0 0.0 0.0 -C2H5O + CO = EFF 1.55E+06 2.0 5734.0 0.0 0.0 0.0 -EFP + H = EF 1.00E+14 0.0 0.0 0.0 0.0 0.0 -EFS + H = EF 1.00E+14 0.0 0.0 0.0 0.0 0.0 -EFF + H = EF 1.00E+14 0.0 0.0 0.0 0.0 0.0 -OCHO + C2H5 = EF 1.00E+12 0.0 0.0 0.0 0.0 0.0 -HCO + C2H5O = EF 1.00E+12 0.0 0.0 0.0 0.0 0.0 -EF = HCOOH + C2H4 1.60E+13 0.0 50000.0 0.0 0.0 0.0 -//ETHYL PROPANOATE -//CONSIDER METHYL ACETATE FORMATION AND CONSUMPTION FROM WESTBROOK. -ME + H = ME2J + H2 1.50E+05 2.4 2583.0 0.0 0.0 0.0 -ME + O = ME2J + OH 9.50E+04 2.4 1140.0 0.0 0.0 0.0 -ME + OH = ME2J + H2O 1.40E+10 0.5 63.0 0.0 0.0 0.0 -ME + CH3 = ME2J + CH4 1.50E-10 6.4 893.0 0.0 0.0 0.0 -ME + HO2 = ME2J + H2O2 9.00E+02 2.5 10532.0 0.0 0.0 0.0 -ME + O2 = ME2J + HO2 2.50E+12 0.0 48200.0 0.0 0.0 0.0 -ME + CH3O = ME2J + CH3OH 2.30E+10 0.0 2873.0 0.0 0.0 0.0 -ME + CH3O2 = ME2J + CH3O2H 3.61E+03 2.5 10532.0 0.0 0.0 0.0 -CH2CO + CH3O = ME2J 5.00E+11 0.0 -1000.0 0.0 0.0 0.0 -ME + H = MEMJ + H2 9.40E+04 2.8 6280.0 0.0 0.0 0.0 -ME + O = MEMJ + OH 9.80E+05 2.4 4750.0 0.0 0.0 0.0 -ME + OH = MEMJ + H2O 5.25E+09 1.0 1590.0 0.0 0.0 0.0 -ME + CH3 = MEMJ + CH4 4.52E-01 3.6 7154.0 0.0 0.0 0.0 -ME + HO2 = MEMJ + H2O2 4.04E+04 2.5 16690.0 0.0 0.0 0.0 -ME + O2 = MEMJ + HO2 3.00E+13 0.0 52000.0 0.0 0.0 0.0 -ME + CH3O = MEMJ + CH3OH 1.58E+11 0.0 7000.0 0.0 0.0 0.0 -ME + CH3O2 = MEMJ + CH3O2H 2.38E+04 2.5 16490.0 0.0 0.0 0.0 -ME + C2H3 = ME2J + C2H4 1.00E+11 0.0 10400.0 0.0 0.0 0.0 -ME + C2H5 = MEMJ + C2H6 1.00E+11 0.0 10400.0 0.0 0.0 0.0 -ME + C2H3 = MEMJ + C2H4 1.00E+11 0.0 10400.0 0.0 0.0 0.0 -ME + C2H5 = ME2J + C2H6 1.00E+11 0.0 10400.0 0.0 0.0 0.0 -CH2O + CH3CO = MEMJ 5.00E+11 0.0 -1000.0 0.0 0.0 0.0 -CH3 + CH3OCO = ME 1.81E+13 0.0 0.0 0.0 0.0 0.0 -CH3CO + CH3O = ME 3.00E+13 0.0 0.0 0.0 0.0 0.0 -CH3CO2 + CH3 = ME 3.00E+13 0.0 0.0 0.0 0.0 0.0 -ME2J + H = ME 1.00E+14 0.0 0.0 0.0 0.0 0.0 -MEMJ + H = ME 1.00E+14 0.0 0.0 0.0 0.0 0.0 -CH2 + CH2OCHO = EFP 3.00E+13 0.0 0.0 0.0 0.0 0.0 -CH2 + CH3OCO = ME2J 3.00E+13 0.0 0.0 0.0 0.0 0.0 \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_N2bathgas/species.txt b/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_N2bathgas/species.txt deleted file mode 100644 index 47a43c0ec2..0000000000 --- a/output/RMG_database/kinetics_libraries/Dooley/methylformate_all_N2bathgas/species.txt +++ /dev/null @@ -1,1932 +0,0 @@ -// Species for Dryer / Curran Mechanism -// Edited by CFG - -H -1 H 1 - - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -C -1 C 4 - - -CH -1 C 3 - - -CH2(S) -1 C 2S - - -CH2 -1 C 2T - - -CH3 -1 C 1 - - -CH4 -1 C 0 - - -O -1 O 2T - - -OH -1 O 1 - - -H2O -1 O 0 - - -CO -1 C 2T {2,D} -2 O 0 {1,D} - - -HCO -1 C 1 {2,D} -2 O 0 {1,D} - - -CH2O -1 C 0 {2,D} -2 O 0 {1,D} - - - -CH3O -1 C 0 {2,S} -2 O 1 {1,S} - - -CH2OH -1 C 1 {2,S} -2 O 0 {1,S} - - -CH3OH -1 C 0 {2,S} -2 O 0 {1,S} - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - - -HO2 -1 O 1 {2,S} -2 O 0 {1,S} - - -H2O2 -1 O 0 {2,S} -2 O 0 {1,S} - - -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -O2CHO -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 O 1 {3,S} - -HO2CHO -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 O 0 {3,S} - -OCHO -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 1 {1,S} - -OCH2O2H -1 O 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - -HOCH2O2 -1 C 0 {2,S} {3,S} -2 O 0 {1,S} -3 O 0 {1,S} {4,S} -4 O 1 {3,S} - -HOCH2O2H -1 C 0 {2,S} {3,S} -2 O 0 {1,S} -3 O 0 {1,S} {4,S} -4 O 0 {3,S} - -HOCH2O -1 C 0 {2,S} {3,S} -2 O 0 {1,S} -3 O 1 {1,S} - -C2H6 -1 C 0 {2,S} -2 C 0 {1,S} - -CH3O2 -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 1 {2,S} - -CH3O2H -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} - -C2H5 -1 C 1 {2,S} -2 C 0 {1,S} - -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - -HCOOH -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} - -CH2CO -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -C2H2 -1 C 0 {2,T} -2 C 0 {1,T} - -C2H3 -1 C 1 {2,D} -2 C 0 {1,D} - -C2H5O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 1 {2,S} - -C2H5O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 1 {3,S} - -C2H5O2H -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - -CH3CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - - -C2H4O1-2 -1 C 0 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 O 0 {1,S} {2,S} - - -//CH2CHOH -//1 C 0 {2,D} -//2 C 0 {1,D} {3,S} -//3 O 0 {2,S} - - -C2H4O2H -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - -C2H3O1-2 -1 C 1 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 O 0 {1,S} {2,S} - - -CH3CO -1 C 1 {2,D} {3,S} -2 O 0 {1,D} -3 C 0 {1,S} - -CH2CHO -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -CH3CO3 -1 C 0 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 O 0 {2,S} {5,S} -5 O 1 {4,S} - -CH3CO3H -1 C 0 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 O 0 {2,S} {5,S} -5 O 0 {4,S} - -CH3CO2 -1 C 0 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 O 1 {2,S} - -HCCO -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -HCCOH -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 O 0 {2,S} - -C2H -1 C 1 {2,T} -2 C 0 {1,T} - -PC2H4OH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} - - -SC2H4OH -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 O 0 {2,S} - -C2H5OH -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} - -O2C2H4OH -1 O 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} - -CH3COCH3 -1 O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} - -CH3COCH2 -1 O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 1 {2,S} - -CH3COCH2O2 -1 O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 1 {5,S} - - -CH3COCH2O2H -1 O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - -CH3COCH2O -1 O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 1 {4,S} - -C2H3CHO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -C2H3CO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} - -C2H5CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -C2H5CO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} - -CH3OCH3 -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} - -CH3OCH2 -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 1 {2,S} - -CH3OCH2O2 -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} - - -CH3OCH2O2H -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -CH3OCH2O -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 1 {3,S} - -CH3OCHO -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -CH2OCH2O2H -1 C 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -O2CH2OCH2O2H -1 C 0 {2,S} {6,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} -6 O 0 {1,S} {7,S} -7 O 1 {6,S} - -HO2CH2OCHO -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 C 0 {4,S} {6,D} -6 O 0 {5,D} - -OCH2OCHO -1 O 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -HOCH2OCO -1 O 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 1 {3,S} {5,D} -5 O 0 {4,D} - -C3H5-A -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 1 {2,S} - -C3H6 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} - -NC3H7 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} - -IC3H7 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} - -C3H8 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} - -NC3H7O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 1 {3,S} - -IC3H7O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 1 {2,S} - -NC3H7O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} - -IC3H7O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} {5,S} -5 O 1 {4,S} - -NC3H7O2H -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -IC3H7O2H -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} {5,S} -5 O 0 {4,S} - -C3H5-T -1 C 0 {2,S} -2 C 1 {1,S} {3,D} -3 C 0 {2,D} - -C3H5-S -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 1 {2,D} - -C3H6OH -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} - -HOC3H6O2 -1 O 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {5,S} -4 C 0 {3,S} -5 O 0 {3,S} {6,S} -6 O 1 {5,S} - -C3H4-A -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} - -CH3CHCO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,D} -4 O 0 {3,D} - - -C4H8-1 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -C3H4-P -1 C 0 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} - -C3H5O -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 O 1 {3,S} - -C3H3 -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 1 {2,D} - -CC3H4 -1 C 0 {2,S} {3,S} -2 C 0 {1,S} {3,D} -3 C 0 {1,S} {2,D} - -// mechanism is not clear about C3H2 -- CFG -// Mike suggests *CH=C=CH* -C3H2 -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 C 1 {2,D} - -C4H2 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -C4H3-I -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 1 {2,S} {4,D} -4 C 0 {3,D} - -C4H3-N -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,D} -4 C 1 {3,D} - -C4H4 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -C3H6OOH1-3 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -C3H6OOH1-2 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -C3H6OOH2-1 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} {5,S} -5 O 0 {4,S} - -// CFG thinks they mean propene-oxide -C3H6O1-2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} {4,S} -4 O 0 {2,S} {3,S} - - -//CFG thinks they mean oxetane -C3H6O1-3 -1 O 0 {2,S} {3,S} -2 C 0 {1,S} {4,S} -3 C 0 {1,S} {4,S} -4 C 0 {2,S} {3,S} - - -C2H3OOH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - -C3H6OOH1-3O2 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 O 0 {5,S} {7,S} -7 O 1 {6,S} - - -C3H6OOH1-2O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} -6 O 0 {2,S} {7,S} -7 O 1 {6,S} - - -C3H6OOH2-1O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} -6 O 0 {2,S} {7,S} -7 O 0 {6,S} - - -C3KET13 -1 O 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - -C3KET12 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} {6,D} -4 O 0 {2,S} {5,S} -5 O 0 {4,S} -6 O 0 {3,D} - -// MRH believes this species to be the same as "CH3COCH2O2H" -//C3KET21 -//1 C 0 {2,S} -//2 C 0 {1,S} {3,S} {4,D} -//3 C 0 {2,S} {5,S} -//4 O 0 {2,D} -//5 O 0 {3,S} {6,S} -//6 O 0 {5,S} - -C3H51-2,3OOH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} -6 O 0 {2,S} {7,S} -7 O 0 {6,S} - -AC3H5OOH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -C3H52-1,3OOH -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 O 0 {5,S} {7,S} -7 O 0 {6,S} - - - -// CFG thinks they mean allyl-alcohol -C3H5OH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} - -CH2CCH2OH -1 C 0 {2,D} -2 C 1 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} - -CH2OCHO -1 C 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -CH3OCO -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} - -// RMG does not like this: "forbidden by CO3." so removing for now -- RHW -// CH3OC*OO -// 1 C 0 {2,S} -// 2 O 0 {1,S} {3,S} -// 3 C 0 {2,S} {4,D} {5,S} -// 4 O 0 {3,D} -// 5 O 1 {3,S} - -// RMG does not like this: "forbidden by CO3" so removing for now -- RHW -//CH3OC*OOO -//1 C 0 {2,S} -//2 O 0 {1,S} {3,S} -//3 C 0 {2,S} {4,D} {5,S} -//4 O 0 {3,D} -//5 O 0 {3,S} {6,S} -//6 O 1 {5,S} - -// RMG does not like this: "forbidden by CO3" so removing for now -- RHW -//CH3OC*OOOH -//1 C 0 {2,S} -//2 O 0 {1,S} {3,S} -//3 C 0 {2,S} {4,D} {5,S} -//4 O 0 {3,D} -//5 O 0 {3,S} {6,S} -//6 O 0 {5,S} - -// MRH believes this species to be the same as "HO2CH2OCHO" -//HOOCH2OCHO -//1 O 0 {2,D} -//2 C 0 {1,D} {3,S} -//3 O 0 {2,S} {4,S} -//4 C 0 {3,S} {5,S} -//5 O 0 {4,S} {6,S} -//6 O 0 {5,S} - -OOCH2OCHO -1 O 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 1 {5,S} - -HOOCH2OC*O -1 O 0 {2,D} -2 C 1 {1,D} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - -// RMG does not like this: "forbidden by CO3" so removing for now -- RHW -//CH2OC*OOOH -//1 C 1 {2,S} -//2 O 0 {1,S} {3,S} -//3 C 0 {2,S} {4,D} {5,S} -//4 O 0 {3,D} -//5 O 0 {3,S} {6,S} -//6 O 0 {5,S} -// -//CYOCH2OC*O -//1 C 0 {2,S} {4,S} -//2 O 0 {1,S} {3,S} -//3 C 0 {2,S} {4,S} {5,D} -//4 O 0 {1,S} {3,S} -//5 O 0 {3,D} -// -//OOCH2OC*OOOH -//1 O 1 {2,S} -//2 O 0 {1,S} {3,S} -//3 C 0 {2,S} {4,S} -//4 O 0 {3,S} {5,S} -//5 C 0 {4,S} {6,D} {7,S} -//6 O 0 {5,D} -//7 O 0 {5,S} {8,S} -//8 O 0 {7,S} -// -//HOOCH2OC*OOO -//1 O 0 {2,D} -//2 C 0 {1,D} {3,S} {7,S} -//3 O 0 {2,S} {4,S} -//4 C 0 {3,S} {5,S} -//5 O 0 {4,S} {6,S} -//6 O 0 {5,S} -//7 O 0 {2,S} {8,S} -//8 O 1 {7,S} -// -//O*CHOC*OOOH -//1 O 0 {2,D} -//2 C 0 {1,D} {3,S} {6,S} -//3 O 0 {2,S} {4,S} -//4 C 0 {3,S} {5,D} -//5 O 0 {4,D} -//6 O 0 {2,S} {7,S} -//7 O 0 {6,S} - - -CHOOCO -1 O 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} {4,S} -4 C 1 {3,S} {5,D} -5 O 0 {4,D} - -EF -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -EFF -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 1 {3,S} {5,D} -5 O 0 {4,D} - -EFP -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -EFS -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -ME -1 C 0 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 O 0 {2,S} {5,S} -5 C 0 {4,S} - -ME2J -1 C 1 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 O 0 {2,S} {5,S} -5 C 0 {4,S} - -MEMJ -1 C 0 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 O 0 {2,S} {5,S} -5 C 1 {4,S} - -C2H3CHOCH2 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} {5,S} -4 O 0 {3,S} {5,S} -5 C 0 {4,S} {3,S} - -C2H3COCH3 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 C 0 {3,S} - -C2H5CHCO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} {5,D} -5 O 0 {4,D} - -C2H5COCH2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 C 1 {3,S} - -C2H5COCH3 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 C 0 {3,S} - -C3H6CHO-1 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -C3H6CHO-2 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -C3H6CHO-3 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 1 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -C3H6OOH2-2 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} {5,S} -5 O 0 {4,S} - -C4H10 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -C4H4O -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -C4H5-2 -1 C 1 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} {4,S} -4 C 0 {3,S} - -C4H5-I -1 C 0 {2,D} -2 C 1 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - -C4H5-N -1 C 1 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - -C4H6 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - -C4H612 -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} - -C4H6-2 -1 C 0 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} {4,S} -4 C 0 {3,S} - -C4H6O23 -1 O 0 {2,S} {5,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {1,S} - -C4H6O25 -1 O 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} {5,S} -5 C 0 {4,S} {1,S} - -C4H71-1 -1 C 1 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -C4H71-2 -1 C 0 {2,D} -2 C 1 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -C4H71-3 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 1 {2,S} {4,S} -4 C 0 {3,S} - -C4H71-4 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} - -C4H72-2 -1 C 0 {2,S} -2 C 1 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} - -C4H7O -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} {5,S} -4 C 0 {3,S} -5 O 1 {3,S} - -C4H8-2 -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} - -C4H8O1-2 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {1,S} {2,S} - -C4H8O1-3 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {5,S} -4 C 0 {3,S} -5 O 0 {1,S} {3,S} - -C4H8O1-4 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {1,S} {4,S} - -C4H8O2-3 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} {5,S} -4 C 0 {3,S} -5 O 0 {2,S} {3,S} - -C4H8OH-1 -1 C 0 {2,S} {5,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {1,S} - -// C4H8OH-1 could also be -//1 C 1 {2,S} -//2 C 0 {1,S} {3,S} {5,S} -//3 C 0 {2,S} {4,S} -//4 C 0 {3,S} -//5 O 0 {2,S} - -C4H8OH-1O2 -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {1,S} -6 O 0 {2,S} {7,S} -7 O 1 {6,S} - -// C4H8OH-1O2 could also be -//1 C 0 {2,S} {6,S} -//2 C 0 {1,S} {3,S} {5,S} -//3 C 0 {2,S} {4,S} -//4 C 0 {3,S} -//5 O 0 {2,S} -//6 O 0 {1,S} {7,S} -//7 O 1 {6,S} - -C4H8OH-2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 1 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {2,S} - -C4H8OH-2O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} {6,S} -4 C 0 {3,S} -5 O 0 {2,S} -6 O 0 {3,S} {7,S} -7 O 1 {6,S} - -C4H8OOH1-1 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 1 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 C 0 {5,S} - -C4H8OOH1-2 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 C 0 {5,S} - -C4H8OOH1-2O2 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} {7,S} -5 C 0 {4,S} {6,S} -6 C 0 {5,S} -7 O 0 {4,S} {8,S} -8 O 1 {7,S} - -C4H8OOH1-3 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 1 {4,S} {6,S} -6 C 0 {5,S} - -C4H8OOH1-3O2 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {6,S} {7,S} -6 C 0 {5,S} -7 O 0 {5,S} {8,S} -8 O 1 {7,S} - -C4H8OOH1-4 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 C 1 {5,S} - -C4H8OOH1-4O2 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 C 0 {5,S} {7,S} -7 O 0 {6,S} {8,S} -8 O 1 {7,S} - -C4H8OOH2-1 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} - -C4H8OOH2-1O2 -1 C 0 {2,S} {7,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} -7 O 0 {1,S} {8,S} -8 O 1 {7,S} - -C4H8OOH2-2 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} - -C4H8OOH2-3 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 1 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} - -C4H8OOH2-3O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} {7,S} -4 C 0 {3,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} -7 O 0 {3,S} {8,S} -8 O 1 {7,S} - -C4H8OOH2-4 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} - -C4H8OOH2-4O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {7,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} -7 O 0 {4,S} {8,S} -8 O 1 {7,S} - -C6H2 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} {5,S} -5 C 0 {4,S} {6,T} -6 C 0 {5,T} - -C6H3 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 1 {2,S} {4,D} -4 C 0 {3,D} {5,S} -5 C 0 {4,S} {6,T} -6 C 0 {5,T} - -CC4H8O -1 O 0 {4,S} {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {5,S} -4 C 0 {3,S} {1,S} -5 C 0 {3,S} - -C-C6H4 -1 C 0 {6,T} {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} {5,D} -5 C 0 {4,D} {6,S} -6 C 0 {5,S} {1,T} - -CH2CH2CHO -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -CH2CH2COCH3 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {5,D} -4 C 0 {3,S} -5 O 0 {3,D} - -CH2CHCHCHO -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -CH2CHOOHCOCH3 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} {5,D} -4 C 0 {3,S} -5 O 0 {3,D} -6 O 0 {2,S} {7,S} -7 O 0 {6,S} - -CH2O2H -1 C 1 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} - -CH2OC*OOOH -1 C 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 O 0 {3,S} {6,S} -6 O 0 {5,S} - -CH3CHCHCHO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -CH3CHCHCO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 1 {3,S} {5,D} -5 O 0 {4,D} - -CH3CHCOCH3 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} {5,D} -4 C 0 {3,S} -5 O 0 {3,D} - -CH3CHOOCOCH3 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} {5,D} -4 C 0 {3,S} -5 O 0 {3,D} -6 O 0 {2,S} {7,S} -7 O 1 {6,S} - -CH3OC*OO -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 O 1 {3,S} - -CH3OC*OOO -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 O 0 {3,S} {6,S} -6 O 1 {5,S} - -CH3OC*OOOH -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 O 0 {3,D} -5 O 0 {3,S} {6,S} -6 O 0 {5,S} - -CYOCH2OC*O -1 O 0 {4,S} {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} {1,S} {5,D} -5 O 0 {4,D} - -// MRH is not 100% certain about the identity of this species -H2C4O -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} {4,D} -4 C 0 {3,D} {5,D} -5 O 0 {4,D} - -H2CC -1 C 0 {2,D} -2 C 2 {1,D} - -HOOCH2OC*OOO -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 C 0 {4,S} {6,D} {7,S} -6 O 0 {5,D} -7 O 0 {5,S} {8,S} -8 O 1 {7,S} - -IC3H5CHO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,D} -5 O 0 {4,D} - -IC3H5CO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 1 {2,S} {5,D} -5 O 0 {4,D} - -IC3H5O2HCHO -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {4,S} {6,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,D} -5 O 0 {4,D} -6 O 0 {2,S} {7,S} -7 O 0 {6,S} - -IC3H5OH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} - -IC3H6CHO -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,D} -5 O 0 {4,D} - -IC3H6CO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,D} -3 C 0 {2,S} -4 C 0 {2,D} {5,D} -5 O 0 {4,D} - -IC3H7CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,D} -5 O 0 {4,D} - -IC3H7CO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 C 1 {2,S} {5,D} -5 O 0 {4,D} - -IC4H10 -1 C 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} - -IC4H6OH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 1 {2,S} -4 C 0 {2,S} {5,S} -5 O 0 {4,S} - -IC4H7 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 1 {2,S} -4 C 0 {2,S} - -IC4H7O -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 1 {4,S} - -IC4H7OH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 0 {4,S} - -IC4H7OOH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - -IC4H8 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} - -// MRH is not 100% certain of this species -IC4H8O -1 O 0 {3,S} {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {1,S} {4,S} {5,S} -4 C 0 {3,S} -5 C 0 {3,S} - -IC4H8O2H-I -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 1 {2,S} -4 C 0 {2,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - -IC4H8O2H-T -1 C 0 {2,S} -2 C 1 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - -IC4H8OH -1 C 0 {2,S} {5,S} -2 C 1 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} -5 O 0 {1,S} - -//IC4H8OH could also be -//1 C 1 {2,S} -//2 C 0 {1,S} {3,S} {4,S} {5,S} -//3 C 0 {2,S} -//4 C 0 {2,S} -//5 O 0 {2,S} - -IC4H8OOH-IO2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} {7,S} -4 C 0 {2,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} -7 O 0 {3,S} {8,S} -8 O 1 {7,S} - -IC4H8OOH-TO2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {7,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} -7 O 0 {2,S} {8,S} -8 O 1 {7,S} - -IC4H9 -1 C 0 {2,S} {3,S} {4,S} -2 C 1 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} - -IC4H9O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,S} -5 O 1 {4,S} - -IC4H9O2 -1 C 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 O 0 {2,S} {6,S} -6 O 1 {5,S} - -IC4H9O2H -1 C 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} - -// MRH is not 100% certain of this -// Perhaps the reaction IC4KETII = CH2O+C2H5CO+OH should be ... -// IC4KETII = CH2O+CH3CHCHO+OH (mechanism does not have CH3CHCHO) -// Based on nomenclature of IC4KETIT, MRH is confident -// this species definition is correct, and reaction in mechanism is incorrect. -IC4KETII -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} {5,S} -4 C 0 {2,S} {7,D} -5 O 0 {3,S} {6,S} -6 O 0 {5,S} -7 O 0 {4,D} - -IC4KETIT -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 C 0 {2,S} -4 C 0 {2,S} {7,D} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} -7 O 0 {4,D} - -IO2C4H8OH -1 C 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} {4,S} {6,S} -3 C 0 {2,S} -4 C 0 {2,S} -5 O 0 {1,S} -6 O 0 {2,S} {7,S} -7 O 1 {6,S} - -//IO2C4H8OH could also be -//1 C 0 {2,S} {6,S} -//2 C 0 {1,S} {3,S} {4,S} {5,S} -//3 C 0 {2,S} -//4 C 0 {2,S} -//5 O 0 {2,S} -//6 O 0 {1,S} {7,S} -//7 O 1 {6,S} - -L-C6H4 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} {5,S} -5 C 0 {4,S} {6,T} -6 C 0 {5,T} - -NC3H7CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -NC3H7CO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} {5,D} -5 O 0 {4,D} - -NC4KET12 -1 C 0 {2,S} {5,D} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {1,D} -6 O 0 {2,S} {7,S} -7 O 0 {6,S} - -NC4KET13 -1 C 0 {2,S} {5,D} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {6,S} -4 C 0 {3,S} -5 O 0 {1,D} -6 O 0 {3,S} {7,S} -7 O 0 {6,S} - -NC4KET14 -1 C 0 {2,S} {5,D} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {6,S} -5 O 0 {1,D} -6 O 0 {4,S} {7,S} -7 O 0 {6,S} - -NC4KET21 -1 C 0 {2,S} {6,S} -2 C 0 {1,S} {3,S} {5,D} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {2,D} -6 O 0 {1,S} {7,S} -7 O 0 {6,S} - -NC4KET23 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,D} -3 C 0 {2,S} {4,S} {6,S} -4 C 0 {3,S} -5 O 0 {2,D} -6 O 0 {3,S} {7,S} -7 O 0 {6,S} - -NC4KET24 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,D} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {6,S} -5 O 0 {2,D} -6 O 0 {4,S} {7,S} -7 O 0 {6,S} - -O*CHOC*OOOH -1 C 0 {2,S} {3,D} -2 O 0 {1,S} {4,S} -3 O 0 {1,D} -4 C 0 {2,S} {5,D} {6,S} -5 O 0 {4,D} -6 O 0 {4,S} {7,S} -7 O 0 {6,S} - -O2C4H8CHO -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {7,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {1,S} {6,D} -6 O 0 {5,D} -7 O 0 {2,S} {8,S} -8 O 1 {7,S} - -O2HC4H8CO -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {7,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 1 {1,S} {6,D} -6 O 0 {5,D} -7 O 0 {2,S} {8,S} -8 O 0 {7,S} - -OOCH2OC*OOOH -1 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 C 0 {4,S} {6,D} {7,S} -6 O 0 {5,D} -7 O 0 {5,S} {8,S} -8 O 0 {7,S} - -PC4H9 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} - -PC4H9O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 1 {4,S} - -PC4H9O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 1 {5,S} - -PC4H9O2H -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - -SC3H5CHO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -SC3H5CO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} {5,D} -5 O 0 {4,D} - -SC4H9 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -SC4H9O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 1 {2,S} - -SC4H9O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {2,S} {6,S} -6 O 1 {5,S} - -SC4H9O2H -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} - -TC3H6CHO -1 C 0 {2,S} -2 C 1 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,D} -5 O 0 {4,D} - -TC3H6O2CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {6,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,D} -5 O 0 {4,D} -6 O 0 {2,S} {7,S} -7 O 1 {6,S} - -TC3H6O2HCO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {6,S} -3 C 0 {2,S} -4 C 1 {2,S} {5,D} -5 O 0 {4,D} -6 O 0 {2,S} {7,S} -7 O 0 {6,S} - -TC3H6OCHO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {6,S} -3 C 0 {2,S} -4 C 0 {2,S} {5,D} -5 O 0 {4,D} -6 O 1 {2,S} - -TC3H6OH -1 C 0 {2,S} -2 C 1 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} - -TC3H6OHCHO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 C 0 {2,S} -4 O 0 {2,S} -5 C 0 {2,S} {6,D} -6 O 0 {5,D} - -TC4H8CHO -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 1 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {1,S} {6,D} -6 O 0 {5,D} - -TC4H8O2H-I -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 C 0 {2,S} -4 C 1 {2,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} - -TC4H8OOH-IO2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 C 0 {2,S} -4 C 0 {2,S} {7,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} -7 O 0 {4,S} {8,S} -8 O 1 {7,S} - -TC4H9 -1 C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} - -TC4H9O -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 O 1 {1,S} - -TC4H9O2 -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 O 0 {1,S} {6,S} -6 O 1 {5,S} - -TC4H9O2H -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 O 0 {1,S} {6,S} -6 O 0 {5,S} \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/GRI-HCO/README.txt b/output/RMG_database/kinetics_libraries/GRI-HCO/README.txt deleted file mode 100644 index 454a5aba0e..0000000000 --- a/output/RMG_database/kinetics_libraries/GRI-HCO/README.txt +++ /dev/null @@ -1,4 +0,0 @@ -This is a selection from GRI-Mech3.0 seed mechanism. It only include HCO -decomposition. It's purpose is to selectively over-rule parts of a different -seed mechanism, by including it with higher priority. (The Glarborg mechanism -does not have any pressure-dependence for HCO decomposition). diff --git a/output/RMG_database/kinetics_libraries/GRI-HCO/pdepreactions.txt b/output/RMG_database/kinetics_libraries/GRI-HCO/pdepreactions.txt deleted file mode 100644 index f4057b547f..0000000000 --- a/output/RMG_database/kinetics_libraries/GRI-HCO/pdepreactions.txt +++ /dev/null @@ -1,10 +0,0 @@ -// This is a selection from GRI-Mech3.0 seed mechanism. -// It's purpose is to selectively over-rule parts of a different seed mechanism. - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: -HCO + M <=> H + CO + M 1.870E+17 -1.000 17000.00 0.0 0.0 0.0 -H2/2.00/ H2O/ .00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ diff --git a/output/RMG_database/kinetics_libraries/GRI-HCO/reactions.txt b/output/RMG_database/kinetics_libraries/GRI-HCO/reactions.txt deleted file mode 100644 index 243046cc16..0000000000 --- a/output/RMG_database/kinetics_libraries/GRI-HCO/reactions.txt +++ /dev/null @@ -1,9 +0,0 @@ -// This is a selection from GRI-Mech3.0 seed mechanism. -// It's purpose is to selectively over-rule parts of a different seed mechanism. - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: -HCO + H2O <=> H + CO + H2O 1.500E+18 -1.000 17000.00 0.0 0.0 0.0 diff --git a/output/RMG_database/kinetics_libraries/GRI-HCO/species.txt b/output/RMG_database/kinetics_libraries/GRI-HCO/species.txt deleted file mode 100644 index 033865e907..0000000000 --- a/output/RMG_database/kinetics_libraries/GRI-HCO/species.txt +++ /dev/null @@ -1,33 +0,0 @@ -// This is a selection from GRI-Mech3.0 seed mechanism. -// It's purpose is to selectively over-rule parts of a different seed mechanism. - - -C2H6 -1 C 0 {2,S} -2 C 0 {1,S} - -CH4 -1 C 0 - -HCO -1 C 1 {2,D} -2 O 0 {1,D} - -CO -1 C 2T {2,D} -2 O 0 {1,D} - -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -H -1 H 1 - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -H2O -1 O 0 \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/GRI-Mech3.0/pdepreactions.txt b/output/RMG_database/kinetics_libraries/GRI-Mech3.0/pdepreactions.txt deleted file mode 100644 index ae7b7ff675..0000000000 --- a/output/RMG_database/kinetics_libraries/GRI-Mech3.0/pdepreactions.txt +++ /dev/null @@ -1,171 +0,0 @@ -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: -O + O + M <=> O2 + M 1.200E+17 -1.000 .00 0.0 0.0 0.0 -H2/ 2.40/ H2O/15.40/ CH4/ 2.00/ CO/ 1.75/ CO2/ 3.60/ C2H6/ 3.00/ Ar/ .83/ -O + H + M <=> OH + M 5.000E+17 -1.000 .00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ -H + O2 + M <=> HO2 + M 2.800E+18 -.860 .00 0.0 0.0 0.0 -O2/ .00/ H2O/ .00/ CO/ .75/ CO2/1.50/ C2H6/1.50/ N2/ .00/ Ar/ .00/ -H + H + M <=> H2 + M 1.000E+18 -1.000 .00 0.0 0.0 0.0 -H2/ .00/ H2O/ .00/ CH4/2.00/ CO2/ .00/ C2H6/3.00/ Ar/ .63/ -H + OH + M <=> H2O + M 2.200E+22 -2.000 .00 0.0 0.0 0.0 -H2/ .73/ H2O/3.65/ CH4/2.00/ C2H6/3.00/ Ar/ .38/ -HCO + M <=> H + CO + M 1.870E+17 -1.000 17000.00 0.0 0.0 0.0 -H2/2.00/ H2O/ .00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ -//NO + O + M <=> NO2 + M 1.060E+20 -1.410 .00 0.0 0.0 0.0 -//H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ -//NNH + M <=> N2 + H + M 1.300E+14 -.110 4980.00 0.0 0.0 0.0 -//H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ -//H + NO + M <=> HNO + M 4.480E+19 -1.320 740.00 0.0 0.0 0.0 -//H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ -//NCO + M <=> N + CO + M 3.100E+14 .000 54050.00 0.0 0.0 0.0 -//H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ -//HCN + M <=> H + CN + M 1.040E+29 -3.300 126600.00 0.0 0.0 0.0 -//H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ -//HNCO + M <=> NH + CO + M 1.180E+16 .000 84720.00 0.0 0.0 0.0 -//H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ - -O + CO (+M) <=> CO2 (+M) 1.800E+10 .000 2385.00 0.0 0.0 0.0 -H2/2.00/ O2/6.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/3.50/ C2H6/3.00/ Ar/ .50/ - LOW/ 6.020E+14 .000 3000.00/ - -//N2O (+M) <=> N2 + O (+M) 7.910E+10 .000 56020.00 0.0 0.0 0.0 -//H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .625/ -// LOW / 6.370E+14 .000 56640.00/ - -//H + HCN (+M) <=> H2CN (+M) 3.300E+13 .000 .00 0.0 0.0 0.0 -//H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ -// LOW / 1.400E+26 -3.400 1900.00/ - -H + CH2 (+M) <=> CH3 (+M) 6.000E+14 .000 .00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ - LOW / 1.040E+26 -2.760 1600.00/ - TROE/ .5620 91.00 5836.00 8552.00/ - -H + CH3 (+M) <=> CH4 (+M) 13.90E+15 -.534 536.00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/3.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ - LOW / 2.620E+33 -4.760 2440.00/ - TROE/ .7830 74.00 2941.00 6964.00 / - -H + HCO (+M) <=> CH2O (+M) 1.090E+12 .480 -260.00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ - LOW / 2.470E+24 -2.570 425.00/ - TROE/ .7824 271.00 2755.00 6570.00 / - -H + CH2O (+M) <=> CH2OH (+M) 5.400E+11 .454 3600.00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - LOW / 1.270E+32 -4.820 6530.00/ - TROE/ .7187 103.00 1291.00 4160.00 / - -H + CH2O (+M) <=> CH3O (+M) 5.400E+11 .454 2600.00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - LOW / 2.200E+30 -4.800 5560.00/ - TROE/ .7580 94.00 1555.00 4200.00 / - -H + CH2OH (+M) <=> CH3OH (+M) 1.055E+12 .500 86.00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - LOW / 4.360E+31 -4.650 5080.00/ - TROE/ .600 100.00 90000.0 10000.0 / - -H + CH3O (+M) <=> CH3OH (+M) 2.430E+12 .515 50.00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - LOW / 4.660E+41 -7.440 14080.0/ - TROE/ .700 100.00 90000.0 10000.00 / - -H + C2H (+M) <=> C2H2 (+M) 1.000E+17 -1.000 .00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ - LOW / 3.750E+33 -4.800 1900.00/ - TROE/ .6464 132.00 1315.00 5566.00 / - -H + C2H2 (+M) <=> C2H3 (+M) 5.600E+12 .000 2400.00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ - LOW / 3.800E+40 -7.270 7220.00/ - TROE/ .7507 98.50 1302.00 4167.00 / - -H + C2H3 (+M) <=> C2H4 (+M) 6.080E+12 .270 280.00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ - LOW / 1.400E+30 -3.860 3320.00/ - TROE/ .7820 207.50 2663.00 6095.00 / - -H + C2H4 (+M) <=> C2H5 (+M) 0.540E+12 .454 1820.00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ - LOW / 0.600E+42 -7.620 6970.00/ - TROE/ .9753 210.00 984.00 4374.00 / - -H + C2H5 (+M) <=> C2H6 (+M) 5.210E+17 -.990 1580.00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ - LOW / 1.990E+41 -7.080 6685.00/ - TROE/ .8422 125.00 2219.00 6882.00 / - -H2 + CO (+M) <=> CH2O (+M) 4.300E+07 1.500 79600.00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ - LOW / 5.070E+27 -3.420 84350.00/ - TROE/ .9320 197.00 1540.00 10300.00 / - -OH + OH (+M) <=> H2O2 (+M) 7.400E+13 -.370 .00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ - LOW / 2.300E+18 -.900 -1700.00/ - TROE/ .7346 94.00 1756.00 5182.00 / - -OH + CH3 (+M) <=> CH3OH (+M) 2.790E+18 -1.430 1330.00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - LOW / 4.000E+36 -5.920 3140.00/ - TROE/ .4120 195.0 5900.00 6394.00/ - -CH + CO (+M) <=> HCCO (+M) 5.000E+13 .000 .00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ - LOW / 2.690E+28 -3.740 1936.00/ - TROE/ .5757 237.00 1652.00 5069.00 / - -CH2 + CO (+M) <=> CH2CO (+M) 8.100E+11 .500 4510.00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ - LOW / 2.690E+33 -5.110 7095.00/ - TROE/ .5907 275.00 1226.00 5185.00 / - -CH2(S) + H2O (+M) <=> CH3OH (+M) 4.820E+17 -1.160 1145.00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - LOW / 1.880E+38 -6.360 5040.00/ - TROE/ .6027 208.00 3922.00 10180.0 / - -CH3 + CH3 (+M) <=> C2H6 (+M) 6.770E+16 -1.180 654.00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ - LOW / 3.400E+41 -7.030 2762.00/ - TROE/ .6190 73.20 1180.00 9999.00 / - -C2H4 (+M) <=> H2 + C2H2 (+M) 8.000E+12 .440 86770.00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ - LOW / 1.580E+51 -9.300 97800.00/ - TROE/ .7345 180.00 1035.00 5417.00 / - -//CH + N2 (+M) <=> HCNN (+M) 3.100E+12 .150 .00 0.0 0.0 0.0 -//H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ 1.0/ -// LOW / 1.300E+25 -3.160 740.00/ -// TROE/ .6670 235.00 2117.00 4536.00 / - -CH + H2 (+M) <=> CH3 (+M) 1.970E+12 .430 -370.00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ - LOW/ 4.820E+25 -2.80 590.0 / - TROE/ .578 122.0 2535.0 9365.0 / - -H + CH2CO (+M) <=> CH2CHO (+M) 4.865E+11 0.422 -1755.00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ - LOW/ 1.012E+42 -7.63 3854.0/ - TROE/ 0.465 201.0 1773.0 5333.0 / - -CH3 + C2H5 (+M) <=> C3H8 (+M) .9430E+13 .000 .00 0.0 0.0 0.0 -H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ - LOW/ 2.710E+74 -16.82 13065.0 / - TROE/ .1527 291.0 2742.0 7748.0 / - -//CH3 + C2H4 (+M) <=> C3H7 (+M) 2.550E+06 1.600 5700.00 0.0 0.0 0.0 -//H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ -// LOW/ 3.00E+63 -14.6 18170./ -// TROE/ .1894 277.0 8748.0 7891.0 / - -//H + C3H7 (+M) <=> C3H8 (+M) 3.613E+13 .000 .00 0.0 0.0 0.0 -//H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ Ar/ .70/ -// LOW/ 4.420E+61 -13.545 11357.0/ -// TROE/ .315 369.0 3285.0 6667.0 / \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/GRI-Mech3.0/reactions.txt b/output/RMG_database/kinetics_libraries/GRI-Mech3.0/reactions.txt deleted file mode 100644 index cbf221517f..0000000000 --- a/output/RMG_database/kinetics_libraries/GRI-Mech3.0/reactions.txt +++ /dev/null @@ -1,295 +0,0 @@ -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: -O + H2 <=> H + OH 3.870E+04 2.700 6260.00 0.0 0.0 0.0 -O + HO2 <=> OH + O2 2.000E+13 .000 .00 0.0 0.0 0.0 -O + H2O2 <=> OH + HO2 9.630E+06 2.000 4000.00 0.0 0.0 0.0 -O + CH <=> H + CO 5.700E+13 .000 .00 0.0 0.0 0.0 -O + CH2 <=> H + HCO 8.000E+13 .000 .00 0.0 0.0 0.0 -O + CH2(S) <=> H2 + CO 1.500E+13 .000 .00 0.0 0.0 0.0 -O + CH2(S) <=> H + HCO 1.500E+13 .000 .00 0.0 0.0 0.0 -O + CH3 <=> H + CH2O 5.060E+13 .000 .00 0.0 0.0 0.0 -O + CH4 <=> OH + CH3 1.020E+09 1.500 8600.00 0.0 0.0 0.0 -O + HCO <=> OH + CO 3.000E+13 .000 .00 0.0 0.0 0.0 -O + HCO <=> H + CO2 3.000E+13 .000 .00 0.0 0.0 0.0 -O + CH2O <=> OH + HCO 3.900E+13 .000 3540.00 0.0 0.0 0.0 -O + CH2OH <=> OH + CH2O 1.000E+13 .000 .00 0.0 0.0 0.0 -O + CH3O <=> OH + CH2O 1.000E+13 .000 .00 0.0 0.0 0.0 -O + CH3OH <=> OH + CH2OH 3.880E+05 2.500 3100.00 0.0 0.0 0.0 -O + CH3OH <=> OH + CH3O 1.300E+05 2.500 5000.00 0.0 0.0 0.0 -O + C2H <=> CH + CO 5.000E+13 .000 .00 0.0 0.0 0.0 -O + C2H2 <=> H + HCCO 1.350E+07 2.000 1900.00 0.0 0.0 0.0 -O + C2H2 <=> OH + C2H 4.600E+19 -1.410 28950.00 0.0 0.0 0.0 -O + C2H2 <=> CO + CH2 6.940E+06 2.000 1900.00 0.0 0.0 0.0 -O + C2H3 <=> H + CH2CO 3.000E+13 .000 .00 0.0 0.0 0.0 -O + C2H4 <=> CH3 + HCO 1.250E+07 1.830 220.00 0.0 0.0 0.0 -O + C2H5 <=> CH3 + CH2O 2.240E+13 .000 .00 0.0 0.0 0.0 -O + C2H6 <=> OH + C2H5 8.980E+07 1.920 5690.00 0.0 0.0 0.0 -O + HCCO <=> H + CO + CO 1.000E+14 .000 .00 0.0 0.0 0.0 -O + CH2CO <=> OH + HCCO 1.000E+13 .000 8000.00 0.0 0.0 0.0 -O + CH2CO <=> CH2 + CO2 1.750E+12 .000 1350.00 0.0 0.0 0.0 -O2 + CO <=> O + CO2 2.500E+12 .000 47800.00 0.0 0.0 0.0 -O2 + CH2O <=> HO2 + HCO 1.000E+14 .000 40000.00 0.0 0.0 0.0 -H + O2 + O2 <=> HO2 + O2 2.080E+19 -1.240 .00 0.0 0.0 0.0 -H + O2 + H2O <=> HO2 + H2O 11.26E+18 -.760 .00 0.0 0.0 0.0 -//H + O2 + N2 <=> HO2 + N2 2.600E+19 -1.240 .00 0.0 0.0 0.0 -//H + O2 + Ar <=> HO2 + Ar 7.000E+17 -.800 .00 0.0 0.0 0.0 -H + O2 <=> O + OH 2.650E+16 -.6707 17041.00 0.0 0.0 0.0 -H + H + H2 <=> H2 + H2 9.000E+16 -.600 .00 0.0 0.0 0.0 -H + H + H2O <=> H2 + H2O 6.000E+19 -1.250 .00 0.0 0.0 0.0 -H + H + CO2 <=> H2 + CO2 5.500E+20 -2.000 .00 0.0 0.0 0.0 -H + HO2 <=> O + H2O 3.970E+12 .000 671.00 0.0 0.0 0.0 -H + HO2 <=> O2 + H2 4.480E+13 .000 1068.00 0.0 0.0 0.0 -H + HO2 <=> OH + OH 0.840E+14 .000 635.00 0.0 0.0 0.0 -H + H2O2 <=> HO2 + H2 1.210E+07 2.000 5200.00 0.0 0.0 0.0 -H + H2O2 <=> OH + H2O 1.000E+13 .000 3600.00 0.0 0.0 0.0 -H + CH <=> C + H2 1.650E+14 .000 .00 0.0 0.0 0.0 -H + CH2(S) <=> CH + H2 3.000E+13 .000 .00 0.0 0.0 0.0 -H + CH4 <=> CH3 + H2 6.600E+08 1.620 10840.00 0.0 0.0 0.0 -H + HCO <=> H2 + CO 7.340E+13 .000 .00 0.0 0.0 0.0 -H + CH2O <=> HCO + H2 5.740E+07 1.900 2742.00 0.0 0.0 0.0 -H + CH2OH <=> H2 + CH2O 2.000E+13 .000 .00 0.0 0.0 0.0 -H + CH2OH <=> OH + CH3 1.650E+11 .650 -284.00 0.0 0.0 0.0 -H + CH2OH <=> CH2(S) + H2O 3.280E+13 -.090 610.00 0.0 0.0 0.0 -H + CH3O <=> H + CH2OH 4.150E+07 1.630 1924.00 0.0 0.0 0.0 -H + CH3O <=> H2 + CH2O 2.000E+13 .000 .00 0.0 0.0 0.0 -H + CH3O <=> OH + CH3 1.500E+12 .500 -110.00 0.0 0.0 0.0 -H + CH3O <=> CH2(S) + H2O 2.620E+14 -.230 1070.00 0.0 0.0 0.0 -H + CH3OH <=> CH2OH + H2 1.700E+07 2.100 4870.00 0.0 0.0 0.0 -H + CH3OH <=> CH3O + H2 4.200E+06 2.100 4870.00 0.0 0.0 0.0 -H + C2H3 <=> H2 + C2H2 3.000E+13 .000 .00 0.0 0.0 0.0 -H + C2H4 <=> C2H3 + H2 1.325E+06 2.530 12240.00 0.0 0.0 0.0 -H + C2H5 <=> H2 + C2H4 2.000E+12 .000 .00 0.0 0.0 0.0 -H + C2H6 <=> C2H5 + H2 1.150E+08 1.900 7530.00 0.0 0.0 0.0 -H + HCCO <=> CH2(S) + CO 1.000E+14 .000 .00 0.0 0.0 0.0 -H + CH2CO <=> HCCO + H2 5.000E+13 .000 8000.00 0.0 0.0 0.0 -H + CH2CO <=> CH3 + CO 1.130E+13 .000 3428.00 0.0 0.0 0.0 -H + HCCOH <=> H + CH2CO 1.000E+13 .000 .00 0.0 0.0 0.0 -OH + H2 <=> H + H2O 2.160E+08 1.510 3430.00 0.0 0.0 0.0 -OH + OH <=> O + H2O 3.570E+04 2.400 -2110.00 0.0 0.0 0.0 -OH + HO2 <=> O2 + H2O 1.450E+13 .000 -500.00 0.0 0.0 0.0 - DUPLICATE -OH + H2O2 <=> HO2 + H2O 2.000E+12 .000 427.00 0.0 0.0 0.0 - DUPLICATE -OH + H2O2 <=> HO2 + H2O 1.700E+18 .000 29410.00 0.0 0.0 0.0 - DUPLICATE -OH + C <=> H + CO 5.000E+13 .000 .00 0.0 0.0 0.0 -OH + CH <=> H + HCO 3.000E+13 .000 .00 0.0 0.0 0.0 -OH + CH2 <=> H + CH2O 2.000E+13 .000 .00 0.0 0.0 0.0 -OH + CH2 <=> CH + H2O 1.130E+07 2.000 3000.00 0.0 0.0 0.0 -OH + CH2(S) <=> H + CH2O 3.000E+13 .000 .00 0.0 0.0 0.0 -OH + CH3 <=> CH2 + H2O 5.600E+07 1.600 5420.00 0.0 0.0 0.0 -OH + CH3 <=> CH2(S) + H2O 6.440E+17 -1.340 1417.00 0.0 0.0 0.0 -OH + CH4 <=> CH3 + H2O 1.000E+08 1.600 3120.00 0.0 0.0 0.0 -OH + CO <=> H + CO2 4.760E+07 1.228 70.00 0.0 0.0 0.0 -OH + HCO <=> H2O + CO 5.000E+13 .000 .00 0.0 0.0 0.0 -OH + CH2O <=> HCO + H2O 3.430E+09 1.180 -447.00 0.0 0.0 0.0 -OH + CH2OH <=> H2O + CH2O 5.000E+12 .000 .00 0.0 0.0 0.0 -OH + CH3O <=> H2O + CH2O 5.000E+12 .000 .00 0.0 0.0 0.0 -OH + CH3OH <=> CH2OH + H2O 1.440E+06 2.000 -840.00 0.0 0.0 0.0 -OH + CH3OH <=> CH3O + H2O 6.300E+06 2.000 1500.00 0.0 0.0 0.0 -OH + C2H <=> H + HCCO 2.000E+13 .000 .00 0.0 0.0 0.0 -OH + C2H2 <=> H + CH2CO 2.180E-04 4.500 -1000.00 0.0 0.0 0.0 -OH + C2H2 <=> H + HCCOH 5.040E+05 2.300 13500.00 0.0 0.0 0.0 -OH + C2H2 <=> C2H + H2O 3.370E+07 2.000 14000.00 0.0 0.0 0.0 -OH + C2H2 <=> CH3 + CO 4.830E-04 4.000 -2000.00 0.0 0.0 0.0 -OH + C2H3 <=> H2O + C2H2 5.000E+12 .000 .00 0.0 0.0 0.0 -OH + C2H4 <=> C2H3 + H2O 3.600E+06 2.000 2500.00 0.0 0.0 0.0 -OH + C2H6 <=> C2H5 + H2O 3.540E+06 2.120 870.00 0.0 0.0 0.0 -OH + CH2CO <=> HCCO + H2O 7.500E+12 .000 2000.00 0.0 0.0 0.0 -HO2 + HO2 <=> O2 + H2O2 1.300E+11 .000 -1630.00 0.0 0.0 0.0 - DUPLICATE -HO2 + HO2 <=> O2 + H2O2 4.200E+14 .000 12000.00 0.0 0.0 0.0 - DUPLICATE -HO2 + CH2 <=> OH + CH2O 2.000E+13 .000 .00 0.0 0.0 0.0 -HO2 + CH3 <=> O2 + CH4 1.000E+12 .000 .00 0.0 0.0 0.0 -HO2 + CH3 <=> OH + CH3O 3.780E+13 .000 .00 0.0 0.0 0.0 -HO2 + CO <=> OH + CO2 1.500E+14 .000 23600.00 0.0 0.0 0.0 -HO2 + CH2O <=> HCO + H2O2 5.600E+06 2.000 12000.00 0.0 0.0 0.0 -C + O2 <=> O + CO 5.800E+13 .000 576.00 0.0 0.0 0.0 -C + CH2 <=> H + C2H 5.000E+13 .000 .00 0.0 0.0 0.0 -C + CH3 <=> H + C2H2 5.000E+13 .000 .00 0.0 0.0 0.0 -CH + O2 <=> O + HCO 6.710E+13 .000 .00 0.0 0.0 0.0 -CH + H2 <=> H + CH2 1.080E+14 .000 3110.00 0.0 0.0 0.0 -CH + H2O <=> H + CH2O 5.710E+12 .000 -755.00 0.0 0.0 0.0 -CH + CH2 <=> H + C2H2 4.000E+13 .000 .00 0.0 0.0 0.0 -CH + CH3 <=> H + C2H3 3.000E+13 .000 .00 0.0 0.0 0.0 -CH + CH4 <=> H + C2H4 6.000E+13 .000 .00 0.0 0.0 0.0 -CH + CO2 <=> HCO + CO 1.900E+14 .000 15792.00 0.0 0.0 0.0 -CH + CH2O <=> H + CH2CO 9.460E+13 .000 -515.00 0.0 0.0 0.0 -CH + HCCO <=> CO + C2H2 5.000E+13 .000 .00 0.0 0.0 0.0 -CH2 + O2 => OH + H + CO 5.000E+12 .000 1500.00 0.0 0.0 0.0 -CH2 + H2 <=> H + CH3 5.000E+05 2.000 7230.00 0.0 0.0 0.0 -CH2 + CH2 <=> H2 + C2H2 1.600E+15 .000 11944.00 0.0 0.0 0.0 -CH2 + CH3 <=> H + C2H4 4.000E+13 .000 .00 0.0 0.0 0.0 -CH2 + CH4 <=> CH3 + CH3 2.460E+06 2.000 8270.00 0.0 0.0 0.0 -CH2 + HCCO <=> C2H3 + CO 3.000E+13 .000 .00 0.0 0.0 0.0 -//CH2(S) + N2 <=> CH2 + N2 1.500E+13 .000 600.00 0.0 0.0 0.0 -//CH2(S) + Ar <=> CH2 + Ar 9.000E+12 .000 600.00 0.0 0.0 0.0 -CH2(S) + O2 <=> H + OH + CO 2.800E+13 .000 .00 0.0 0.0 0.0 -CH2(S) + O2 <=> CO + H2O 1.200E+13 .000 .00 0.0 0.0 0.0 -CH2(S) + H2 <=> CH3 + H 7.000E+13 .000 .00 0.0 0.0 0.0 -CH2(S) + H2O <=> CH2 + H2O 3.000E+13 .000 .00 0.0 0.0 0.0 -CH2(S) + CH3 <=> H + C2H4 1.200E+13 .000 -570.00 0.0 0.0 0.0 -CH2(S) + CH4 <=> CH3 + CH3 1.600E+13 .000 -570.00 0.0 0.0 0.0 -CH2(S) + CO <=> CH2 + CO 9.000E+12 .000 .00 0.0 0.0 0.0 -CH2(S) + CO2 <=> CH2 + CO2 7.000E+12 .000 .00 0.0 0.0 0.0 -CH2(S) + CO2 <=> CO + CH2O 1.400E+13 .000 .00 0.0 0.0 0.0 -CH2(S) + C2H6 <=> CH3 + C2H5 4.000E+13 .000 -550.00 0.0 0.0 0.0 -CH3 + O2 <=> O + CH3O 3.560E+13 .000 30480.00 0.0 0.0 0.0 -CH3 + O2 <=> OH + CH2O 2.310E+12 .000 20315.00 0.0 0.0 0.0 -CH3 + H2O2 <=> HO2 + CH4 2.450E+04 2.470 5180.00 0.0 0.0 0.0 -CH3 + CH3 <=> H + C2H5 6.840E+12 .100 10600.00 0.0 0.0 0.0 -CH3 + HCO <=> CH4 + CO 2.648E+13 .000 .00 0.0 0.0 0.0 -CH3 + CH2O <=> HCO + CH4 3.320E+03 2.810 5860.00 0.0 0.0 0.0 -CH3 + CH3OH <=> CH2OH + CH4 3.000E+07 1.500 9940.00 0.0 0.0 0.0 -CH3 + CH3OH <=> CH3O + CH4 1.000E+07 1.500 9940.00 0.0 0.0 0.0 -CH3 + C2H4 <=> C2H3 + CH4 2.270E+05 2.000 9200.00 0.0 0.0 0.0 -CH3 + C2H6 <=> C2H5 + CH4 6.140E+06 1.740 10450.00 0.0 0.0 0.0 -HCO + H2O <=> H + CO + H2O 1.500E+18 -1.000 17000.00 0.0 0.0 0.0 -HCO + O2 <=> HO2 + CO 13.45E+12 .000 400.00 0.0 0.0 0.0 -CH2OH + O2 <=> HO2 + CH2O 1.800E+13 .000 900.00 0.0 0.0 0.0 -CH3O + O2 <=> HO2 + CH2O 4.280E-13 7.600 -3530.00 0.0 0.0 0.0 -C2H + O2 <=> HCO + CO 1.000E+13 .000 -755.00 0.0 0.0 0.0 -C2H + H2 <=> H + C2H2 5.680E+10 0.900 1993.00 0.0 0.0 0.0 -C2H3 + O2 <=> HCO + CH2O 4.580E+16 -1.390 1015.00 0.0 0.0 0.0 -C2H5 + O2 <=> HO2 + C2H4 8.400E+11 .000 3875.00 0.0 0.0 0.0 -HCCO + O2 <=> OH + CO + CO 3.200E+12 .000 854.00 0.0 0.0 0.0 -HCCO + HCCO <=> CO + CO + C2H2 1.000E+13 .000 .00 0.0 0.0 0.0 -//N + NO <=> N2 + O 2.700E+13 .000 355.00 0.0 0.0 0.0 -//N + O2 <=> NO + O 9.000E+09 1.000 6500.00 0.0 0.0 0.0 -//N + OH <=> NO + H 3.360E+13 .000 385.00 0.0 0.0 0.0 -//N2O + O <=> N2 + O2 1.400E+12 .000 10810.00 0.0 0.0 0.0 -//N2O + O <=> NO + NO 2.900E+13 .000 23150.00 0.0 0.0 0.0 -//N2O + H <=> N2 + OH 3.870E+14 .000 18880.00 0.0 0.0 0.0 -//N2O + OH <=> N2 + HO2 2.000E+12 .000 21060.00 0.0 0.0 0.0 -//HO2 + NO <=> NO2 + OH 2.110E+12 .000 -480.00 0.0 0.0 0.0 -//NO2 + O <=> NO + O2 3.900E+12 .000 -240.00 0.0 0.0 0.0 -//NO2 + H <=> NO + OH 1.320E+14 .000 360.00 0.0 0.0 0.0 -//NH + O <=> NO + H 4.000E+13 .000 .00 0.0 0.0 0.0 -//NH + H <=> N + H2 3.200E+13 .000 330.00 0.0 0.0 0.0 -//NH + OH <=> HNO + H 2.000E+13 .000 .00 0.0 0.0 0.0 -//NH + OH <=> N + H2O 2.000E+09 1.200 .00 0.0 0.0 0.0 -//NH + O2 <=> HNO + O 4.610E+05 2.000 6500.00 0.0 0.0 0.0 -//NH + O2 <=> NO + OH 1.280E+06 1.500 100.00 0.0 0.0 0.0 -//NH + N <=> N2 + H 1.500E+13 .000 .00 0.0 0.0 0.0 -//NH + H2O <=> HNO + H2 2.000E+13 .000 13850.00 0.0 0.0 0.0 -//NH + NO <=> N2 + OH 2.160E+13 -.230 .00 0.0 0.0 0.0 -//NH + NO <=> N2O + H 3.650E+14 -.450 .00 0.0 0.0 0.0 -//NH2 + O <=> OH + NH 3.000E+12 .000 .00 0.0 0.0 0.0 -//NH2 + O <=> H + HNO 3.900E+13 .000 .00 0.0 0.0 0.0 -//NH2 + H <=> NH + H2 4.000E+13 .000 3650.00 0.0 0.0 0.0 -//NH2 + OH <=> NH + H2O 9.000E+07 1.500 -460.00 0.0 0.0 0.0 -//NNH <=> N2 + H 3.300E+08 .000 .00 0.0 0.0 0.0 -//NNH + O2 <=> HO2 + N2 5.000E+12 .000 .00 0.0 0.0 0.0 -//NNH + O <=> OH + N2 2.500E+13 .000 .00 0.0 0.0 0.0 -//NNH + O <=> NH + NO 7.000E+13 .000 .00 0.0 0.0 0.0 -//NNH + H <=> H2 + N2 5.000E+13 .000 .00 0.0 0.0 0.0 -//NNH + OH <=> H2O + N2 2.000E+13 .000 .00 0.0 0.0 0.0 -//NNH + CH3 <=> CH4 + N2 2.500E+13 .000 .00 0.0 0.0 0.0 -//HNO + O <=> NO + OH 2.500E+13 .000 .00 0.0 0.0 0.0 -//HNO + H <=> H2 + NO 9.000E+11 .720 660.00 0.0 0.0 0.0 -//HNO + OH <=> NO + H2O 1.300E+07 1.900 -950.00 0.0 0.0 0.0 -//HNO + O2 <=> HO2 + NO 1.000E+13 .000 13000.00 0.0 0.0 0.0 -//CN + O <=> CO + N 7.700E+13 .000 .00 0.0 0.0 0.0 -//CN + OH <=> NCO + H 4.000E+13 .000 .00 0.0 0.0 0.0 -//CN + H2O <=> HCN + OH 8.000E+12 .000 7460.00 0.0 0.0 0.0 -//CN + O2 <=> NCO + O 6.140E+12 .000 -440.00 0.0 0.0 0.0 -//CN + H2 <=> HCN + H 2.950E+05 2.450 2240.00 0.0 0.0 0.0 -//NCO + O <=> NO + CO 2.350E+13 .000 .00 0.0 0.0 0.0 -//NCO + H <=> NH + CO 5.400E+13 .000 .00 0.0 0.0 0.0 -//NCO + OH <=> NO + H + CO 0.250E+13 .000 .00 0.0 0.0 0.0 -//NCO + N <=> N2 + CO 2.000E+13 .000 .00 0.0 0.0 0.0 -//NCO + O2 <=> NO + CO2 2.000E+12 .000 20000.00 0.0 0.0 0.0 -//NCO + NO <=> N2O + CO 1.900E+17 -1.520 740.00 0.0 0.0 0.0 -//NCO + NO <=> N2 + CO2 3.800E+18 -2.000 800.00 0.0 0.0 0.0 -//HCN + O <=> NCO + H 2.030E+04 2.640 4980.00 0.0 0.0 0.0 -//HCN + O <=> NH + CO 5.070E+03 2.640 4980.00 0.0 0.0 0.0 -//HCN + O <=> CN + OH 3.910E+09 1.580 26600.00 0.0 0.0 0.0 -//HCN + OH <=> HOCN + H 1.100E+06 2.030 13370.00 0.0 0.0 0.0 -//HCN + OH <=> HNCO + H 4.400E+03 2.260 6400.00 0.0 0.0 0.0 -//HCN + OH <=> NH2 + CO 1.600E+02 2.560 9000.00 0.0 0.0 0.0 -//H2CN + N <=> N2 + CH2 6.000E+13 .000 400.00 0.0 0.0 0.0 -//C + N2 <=> CN + N 6.300E+13 .000 46020.00 0.0 0.0 0.0 -//CH + N2 <=> HCN + N 3.120E+09 0.880 20130.00 0.0 0.0 0.0 -//CH2 + N2 <=> HCN + NH 1.000E+13 .000 74000.00 0.0 0.0 0.0 -//CH2(S) + N2 <=> NH + HCN 1.000E+11 .000 65000.00 0.0 0.0 0.0 -//C + NO <=> CN + O 1.900E+13 .000 .00 0.0 0.0 0.0 -//C + NO <=> CO + N 2.900E+13 .000 .00 0.0 0.0 0.0 -//CH + NO <=> HCN + O 4.100E+13 .000 .00 0.0 0.0 0.0 -//CH + NO <=> H + NCO 1.620E+13 .000 .00 0.0 0.0 0.0 -//CH + NO <=> N + HCO 2.460E+13 .000 .00 0.0 0.0 0.0 -//CH2 + NO <=> H + HNCO 3.100E+17 -1.380 1270.00 0.0 0.0 0.0 -//CH2 + NO <=> OH + HCN 2.900E+14 -.690 760.00 0.0 0.0 0.0 -//CH2 + NO <=> H + HCNO 3.800E+13 -.360 580.00 0.0 0.0 0.0 -//CH2(S) + NO <=> H + HNCO 3.100E+17 -1.380 1270.00 0.0 0.0 0.0 -//CH2(S) + NO <=> OH + HCN 2.900E+14 -.690 760.00 0.0 0.0 0.0 -//CH2(S) + NO <=> H + HCNO 3.800E+13 -.360 580.00 0.0 0.0 0.0 -//CH3 + NO <=> HCN + H2O 9.600E+13 .000 28800.00 0.0 0.0 0.0 -//CH3 + NO <=> H2CN + OH 1.000E+12 .000 21750.00 0.0 0.0 0.0 -//HCNN + O <=> CO + H + N2 2.200E+13 .000 .00 0.0 0.0 0.0 -//HCNN + O <=> HCN + NO 2.000E+12 .000 .00 0.0 0.0 0.0 -//HCNN + O2 <=> O + HCO + N2 1.200E+13 .000 .00 0.0 0.0 0.0 -//HCNN + OH <=> H + HCO + N2 1.200E+13 .000 .00 0.0 0.0 0.0 -//HCNN + H <=> CH2 + N2 1.000E+14 .000 .00 0.0 0.0 0.0 -//HNCO + O <=> NH + CO2 9.800E+07 1.410 8500.00 0.0 0.0 0.0 -//HNCO + O <=> HNO + CO 1.500E+08 1.570 44000.00 0.0 0.0 0.0 -//HNCO + O <=> NCO + OH 2.200E+06 2.110 11400.00 0.0 0.0 0.0 -//HNCO + H <=> NH2 + CO 2.250E+07 1.700 3800.00 0.0 0.0 0.0 -//HNCO + H <=> H2 + NCO 1.050E+05 2.500 13300.00 0.0 0.0 0.0 -//HNCO + OH <=> NCO + H2O 3.300E+07 1.500 3600.00 0.0 0.0 0.0 -//HNCO + OH <=> NH2 + CO2 3.300E+06 1.500 3600.00 0.0 0.0 0.0 -//HCNO + H <=> H + HNCO 2.100E+15 -.690 2850.00 0.0 0.0 0.0 -//HCNO + H <=> OH + HCN 2.700E+11 .180 2120.00 0.0 0.0 0.0 -//HCNO + H <=> NH2 + CO 1.700E+14 -.750 2890.00 0.0 0.0 0.0 -//HOCN + H <=> H + HNCO 2.000E+07 2.000 2000.00 0.0 0.0 0.0 -//HCCO + NO <=> HCNO + CO 0.900E+13 .000 .00 0.0 0.0 0.0 -//CH3 + N <=> H2CN + H 6.100E+14 -.310 290.00 0.0 0.0 0.0 -//CH3 + N <=> HCN + H2 3.700E+12 .150 -90.00 0.0 0.0 0.0 -//NH3 + H <=> NH2 + H2 5.400E+05 2.400 9915.00 0.0 0.0 0.0 -//NH3 + OH <=> NH2 + H2O 5.000E+07 1.600 955.00 0.0 0.0 0.0 -//NH3 + O <=> NH2 + OH 9.400E+06 1.940 6460.00 0.0 0.0 0.0 -//NH + CO2 <=> HNO + CO 1.000E+13 .000 14350.00 0.0 0.0 0.0 -//CN + NO2 <=> NCO + NO 6.160E+15 -0.752 345.00 0.0 0.0 0.0 -//NCO + NO2 <=> N2O + CO2 3.250E+12 .000 -705.00 0.0 0.0 0.0 -//N + CO2 <=> NO + CO 3.000E+12 .000 11300.00 0.0 0.0 0.0 -O + CH3 => H + H2 + CO 3.370E+13 .000 .00 0.0 0.0 0.0 -O + C2H4 <=> H + CH2CHO 6.700E+06 1.830 220.00 0.0 0.0 0.0 -O + C2H5 <=> H + CH3CHO 1.096E+14 .000 .00 0.0 0.0 0.0 -OH + HO2 <=> O2 + H2O 0.500E+16 .000 17330.00 0.0 0.0 0.0 - DUPLICATE -OH + CH3 => H2 + CH2O 8.000E+09 .500 -1755.00 0.0 0.0 0.0 -CH2 + O2 => H + H + CO2 5.800E+12 .000 1500.00 0.0 0.0 0.0 -CH2 + O2 <=> O + CH2O 2.400E+12 .000 1500.00 0.0 0.0 0.0 -CH2 + CH2 => H + H + C2H2 2.000E+14 .000 10989.00 0.0 0.0 0.0 -CH2(S) + H2O => H2 + CH2O 6.820E+10 .250 -935.00 0.0 0.0 0.0 -C2H3 + O2 <=> O + CH2CHO 3.030E+11 .290 11.00 0.0 0.0 0.0 -C2H3 + O2 <=> HO2 + C2H2 1.337E+06 1.610 -384.00 0.0 0.0 0.0 -O + CH3CHO <=> OH + CH2CHO 2.920E+12 .000 1808.00 0.0 0.0 0.0 -O + CH3CHO => OH + CH3 + CO 2.920E+12 .000 1808.00 0.0 0.0 0.0 -O2 + CH3CHO => HO2 + CH3 + CO 3.010E+13 .000 39150.00 0.0 0.0 0.0 -H + CH3CHO <=> CH2CHO + H2 2.050E+09 1.160 2405.00 0.0 0.0 0.0 -H + CH3CHO => CH3 + H2 + CO 2.050E+09 1.160 2405.00 0.0 0.0 0.0 -OH + CH3CHO => CH3 + H2O + CO 2.343E+10 0.730 -1113.00 0.0 0.0 0.0 -HO2 + CH3CHO => CH3 + H2O2 + CO 3.010E+12 .000 11923.00 0.0 0.0 0.0 -CH3 + CH3CHO => CH3 + CH4 + CO 2.720E+06 1.770 5920.00 0.0 0.0 0.0 -O + CH2CHO => H + CH2 + CO2 1.500E+14 .000 .00 0.0 0.0 0.0 -O2 + CH2CHO => OH + CO + CH2O 1.810E+10 .000 .00 0.0 0.0 0.0 -O2 + CH2CHO => OH + HCO + HCO 2.350E+10 .000 .00 0.0 0.0 0.0 -H + CH2CHO <=> CH3 + HCO 2.200E+13 .000 .00 0.0 0.0 0.0 -H + CH2CHO <=> CH2CO + H2 1.100E+13 .000 .00 0.0 0.0 0.0 -OH + CH2CHO <=> H2O + CH2CO 1.200E+13 .000 .00 0.0 0.0 0.0 -OH + CH2CHO <=> HCO + CH2OH 3.010E+13 .000 .00 0.0 0.0 0.0 -//O + C3H8 <=> OH + C3H7 1.930E+05 2.680 3716.00 0.0 0.0 0.0 -//H + C3H8 <=> C3H7 + H2 1.320E+06 2.540 6756.00 0.0 0.0 0.0 -//OH + C3H8 <=> C3H7 + H2O 3.160E+07 1.800 934.00 0.0 0.0 0.0 -//C3H7 + H2O2 <=> HO2 + C3H8 3.780E+02 2.720 1500.00 0.0 0.0 0.0 -//CH3 + C3H8 <=> C3H7 + CH4 0.903E+00 3.650 7154.00 0.0 0.0 0.0 -//O + C3H7 <=> C2H5 + CH2O 9.640E+13 .000 .00 0.0 0.0 0.0 -//H + C3H7 <=> CH3 + C2H5 4.060E+06 2.190 890.00 0.0 0.0 0.0 -//OH + C3H7 <=> C2H5 + CH2OH 2.410E+13 .000 .00 0.0 0.0 0.0 -//HO2 + C3H7 <=> O2 + C3H8 2.550E+10 0.255 -943.00 0.0 0.0 0.0 -//HO2 + C3H7 => OH + C2H5 + CH2O 2.410E+13 .000 .00 0.0 0.0 0.0 -//CH3 + C3H7 <=> C2H5 + C2H5 1.927E+13 -0.320 .00 0.0 0.0 0.0 diff --git a/output/RMG_database/kinetics_libraries/GRI-Mech3.0/species.txt b/output/RMG_database/kinetics_libraries/GRI-Mech3.0/species.txt deleted file mode 100644 index 48cc2a674d..0000000000 --- a/output/RMG_database/kinetics_libraries/GRI-Mech3.0/species.txt +++ /dev/null @@ -1,259 +0,0 @@ -//Ar -//1 Ar 0 -// RMG does not recognize Ar - -C -//1 C 0 -// InChI cannot represent a carbon atom -1 C 4 - -C2H -1 C 0 {2,T} -2 C 1 {1,T} - -C2H2 -1 C 0 {2,T} -2 C 0 {1,T} - -CH2CO -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -HCCOH -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 O 0 {2,S} - -C2H3 -1 C 1 {2,D} -2 C 0 {1,D} - -CH2CHO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 1 {2,S} - -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - -CH3CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -C2H5 -1 C 1 {2,S} -2 C 0 {1,S} - -C2H6 -1 C 0 {2,S} -2 C 0 {1,S} - -HCCO -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 O 1 {2,S} - -//C3H7 -//1 C 0 {3,T} -//2 C 0 {3,S} -//3 C 0 {1,T} {2,S} -// The GRI-Mech C3H7 species is a lumped species (1-C3H7 & 2-C3H7) - -C3H8 -1 C 0 {3,S} -2 C 0 {3,S} -3 C 0 {1,S} {2,S} - -CH -//1 C 0 -// InChI cannot represent a carbon atom w/one hydrogen -1 C 3 - -CH2(S) -//1 C 0 -// Not sure why InChI couldn't convert this to 1 C 2 -1 C 2S - -CH2 -//1 C 0 -// Not sure why InChI couldn't convert this to 1 C 2 -1 C 2T - -//H2CN -//1 C 0 {2,D} -//2 N 1 {1,D} -// No N in RMG yet - -CH2O -1 C 0 {2,D} -2 O 0 {1,D} - -CH3 -//1 C 0 -// Not sure why InChI couldn't convert this to 1 C 1 -1 C 1 - -CH3O -1 C 0 {2,S} -2 O 1 {1,S} - -CH2OH -1 C 1 {2,S} -2 O 0 {1,S} - -CH4 -1 C 0 - -CH3OH -1 C 0 {2,S} -2 O 0 {1,S} - -//HCN -//1 C 0 {2,T} -//2 N 0 {1,T} -// No N in RMG yet - -//HCNN -//1 C 0 {3,T} -//2 N 0 {3,S} -//3 N 0 {1,T} {2,S} -// No N in RMG yet - -//HNCO -//1 C 0 {2,D} {3,D} -//2 N 0 {1,D} -//3 O 0 {1,D} -// No N in RMG yet - -//HOCN -//1 C 0 {2,T} {3,S} -//2 N 0 {1,T} -//3 O 0 {1,S} - -//HCNO -//1 C 0 {2,T} -//2 N 0 {1,T} {3,S} -//3 O 0 {2,S} -// No N in RMG yet - -HCO -1 C 1 {2,D} -2 O 0 {1,D} - -//NCO -//1 C 0 {2,T} {3,S} -//2 N 0 {1,T} -//3 O 1 {1,S} -// No N in RMG yet - -CO -//1 C 0 {2,T} -//2 O 0 {1,T} -// RMG cannot handle oxygen w/a triple bond -1 C 2T {2,D} -2 O 0 {1,D} - -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -H -1 H 1 - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -//NH2 -//1 N 0 -// Not sure why InChI couldn't convert this to 1 N 1 -//1 N 1 -// No N in RMG yet - -H2O -1 O 0 - -H2O2 -1 O 0 {2,S} -2 O 0 {1,S} - -//NH3 -//1 N 0 -// No N in RMG yet - -//NH -//1 N 0 -// Not sure why InChI couldn't convert this to 1 N 2 -//1 N 2 -// No N in RMG yet - -//NNH -//1 N 0 {2,D} -//2 N 1 {1,D} -// No N in RMG yet - -//HNO -//1 N 0 {2,D} -//2 O 0 {1,D} -// No N in RMG yet - -OH -//1 O 0 -// Not sure why InChI couldn't convert this to 1 O 1 -1 O 1 - -HO2 -1 O 0 {2,S} -2 O 1 {1,S} - -//N -//1 N 0 -// InChI cannot handle nitrogen atom -//1 N 3 -// No N in RMG yet - -//N2 -//1 N 0 {2,T} -//2 N 0 {1,T} -// No N in RMG yet - -//N2O -//1 N 0 {2,D} -//2 N 0 {1,D} {3,D} -//3 O 0 {2,D} -// No N in RMG yet - -//NO -//1 N 1 {2,D} -//2 O 0 {1,D} -// No N in RMG yet - -//NO2 -//1 N 0 {2,D} {3,S} -//2 O 0 {1,D} -//3 O 1 {1,S} -// No N in RMG yet - -O -//1 O 0 -// Not sure why InChI couldn't convert this to 1 O 2 -1 O 2T - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - -//CN -//1 C 1 {2,T} -//2 N 0 {1,T} -// No N in RMG yet - -//s00010469 -//1 C 0 -// InChI cannot handle carbon atom -//1 C 4 -// This is a standard state for carbon (GR) diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C0/3rdBodyReactions.C0 b/output/RMG_database/kinetics_libraries/Glarborg/C0/3rdBodyReactions.C0 deleted file mode 100644 index f6acec1124..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C0/3rdBodyReactions.C0 +++ /dev/null @@ -1,36 +0,0 @@ -// small molecule oxidation library, third body reaction file, version 2, JS, August 6, 2003 -// originally from Leeds methane oxidation mechanism v1.5 -// http://www.chem.leeds.ac.uk/Combustion/Combustion.html - -//reduced by cfg - -Unit: -A: mol/cm3/s -E: kJ/mol - -Reactions: - - -H + H + M = H2 + M 7.0E17 -1.000 0 0.0 0.0 0.0 - N2/0/ H2O/0/ H2/0/ - - H + O + M = OH + M 6.2E16 -0.600 0 0.0 0.0 0.0 - H2O/5/ - - O + O + M = O2 + M 1.9E13 0.000 -1788 0.0 0.0 0.0 - N2/1.5/ O2/1.5/ H2O/10/ - - - OH + H + M = H2O + M 4.5E22 -2.000 0 0.0 0.0 0.0 - AR/0.38/ H2/0.73/ H2O/12/ - - - - - - - - - - - diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C0/pdepreactions.txt b/output/RMG_database/kinetics_libraries/Glarborg/C0/pdepreactions.txt deleted file mode 100644 index f6932b263c..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C0/pdepreactions.txt +++ /dev/null @@ -1,42 +0,0 @@ -// CFG from Glarborg; extra collision efficiencies taken from Leeds - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - - H + O2 (+M) = HO2 (+M) 1.5E12 0.600 0 0.0 0.0 0.0 - N2/0/ AR/0/ H2O/11/ H2/2/ O2/0.78/ - LOW / 3.5E16 -0.41 -1116 / - TROE / 0.5 1.0E-30 1.0E30 / - - -// H + O2 (+AR) = HO2 (+AR) 1.5E12 0.600 0 0.0 0.0 0.0 -// LOW / 9.04E19 -1.500 490 / -// TROE / 0.5 1.0E-30 1.0E30 / - -// H + O2 (+N2) = HO2 (+N2) 1.5E12 0.600 0 0.0 0.0 0.0 -// LOW / 6.37E20 -1.720 520 / -// TROE / 0.8 1.0E-30 1.0E30 / - - - H2O2 (+M) = OH + OH (+M) 4.0E11 0.000 37137 0.0 0.0 0.0 - H2O/12/ H2/2.5/ AR/0.64/ - LOW /2.291E16 0.0 43638/ - TROE /0.5 1E-30 1E30 1E30/ - -//reduced by cfg - -H + H + M = H2 + M 7.0E17 -1.000 0 0.0 0.0 0.0 - N2/0/ H2O/0/ H2/0/ - - H + O + M = OH + M 6.2E16 -0.600 0 0.0 0.0 0.0 - H2O/5/ - - O + O + M = O2 + M 1.9E13 0.000 -1788 0.0 0.0 0.0 - N2/1.5/ O2/1.5/ H2O/10/ - - - OH + H + M = H2O + M 4.5E22 -2.000 0 0.0 0.0 0.0 - AR/0.38/ H2/0.73/ H2O/12/ diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C0/reactions.txt b/output/RMG_database/kinetics_libraries/Glarborg/C0/reactions.txt deleted file mode 100644 index 801ffc96a3..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C0/reactions.txt +++ /dev/null @@ -1,53 +0,0 @@ -// CFG - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - H + O2 = O + OH 3.6E15 -0.410 16600 0.0 0.0 0.0 - -H + H + H2 = H2 + H2 1.0E17 -0.600 0 0.0 0.0 0.0 -H + H + H2O = H2 + H2O 1.0E19 -1.000 0 0.0 0.0 0.0 - - O + H2 = OH + H 3.8E12 0.000 7948 0.0 0.0 0.0 - DUPLICATE - O + H2 = OH + H 8.8E14 0.000 19175 0.0 0.0 0.0 - DUPLICATE - - OH + OH = O + H2O 4.3E03 2.700 -1822 0.0 0.0 0.0 - - - OH + H2 = H + H2O 2.1E08 1.520 3449 0.0 0.0 0.0 - H2 + O2 = HO2 + H 7.4E05 2.433 53502 0.0 0.0 0.0 - HO2 + H = OH + OH 8.4E13 0.000 400 0.0 0.0 0.0 - HO2 + H = H2O + O 1.4E12 0.000 0 0.0 0.0 0.0 - HO2 + O = OH + O2 1.6E13 0.000 -445 0.0 0.0 0.0 - -// These three add up to give Glarborg's preferred rate, but the third of them -// has a negative A which RMG does not like: - // HO2 + OH = H2O + O2 3.6E21 -2.100 9000 0.0 0.0 0.0 - // // DUPLICATE - // HO2 + OH = H2O + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - // // DUPLICATE - // HO2 + OH = H2O + O2 -2.2E96 -24.000 49000 0.0 0.0 0.0 - // // DUPLICATE -// Instead here is a rate from Baulch et al JPCRF 1994 as reported by -// http://kinetics.nist.gov/kinetics/Detail?id=1994BAU/COB847-1033:91 -// although the valid temperature range is not very large... - HO2 + OH = H2O + O2 2.89E13 0.000 -497 *1.58 0.0 0.0 - - HO2 + HO2 = H2O2 + O2 1.9E11 0.000 -1408 0.0 0.0 0.0 - DUPLICATE - HO2 + HO2 = H2O2 + O2 1.0E14 0.000 11034 0.0 0.0 0.0 - DUPLICATE - - H2O2 + H = H2O + OH 1.0E13 0.000 3580 0.0 0.0 0.0 - H2O2 + H = HO2 + H2 1.7E12 0.000 3760 0.0 0.0 0.0 - H2O2 + O = HO2 + OH 9.6E06 2.000 3970 0.0 0.0 0.0 - - H2O2 + OH = H2O + HO2 1.9E12 0.000 427 0.0 0.0 0.0 - DUPLICATE - H2O2 + OH = H2O + HO2 1.6E18 0.000 29410 0.0 0.0 0.0 - DUPLICATE - diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C0/scrap.py b/output/RMG_database/kinetics_libraries/Glarborg/C0/scrap.py deleted file mode 100755 index eed523ab1d..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C0/scrap.py +++ /dev/null @@ -1,41 +0,0 @@ -#! /usr/bin/env python -import re, os -import getopt, sys, subprocess -import shutil - - -# defaults -settings=dict(nproc=2, memory='500MB') - -try: - opts, args = getopt.getopt(sys.argv[1:], "hvn:st:", ["help", "nproc=", "saveonly", "template="]) -except getopt.GetoptError, err: - # print help information and exit: - print str(err) # will print something like "option -a not recognized" - usage() - sys.exit(2) - - # OK, now we get to the part where I know what's going on. - # for each file supplied at the command line, do the following - -searchExpression1=re.compile(" ! ") -searchExpression2=re.compile(" !") -for filename in args: - - (fileroot,filextension) = os.path.splitext(filename) - - print fileroot - - fin=open(filename,'r') - com=fin.read() - fin.close - - replaceme = ('DUPLICATE') #RAS07 ING/BOZ03 - - - com = com.replace(replaceme, ' // DUPLICATE ') - - name = filename - fout=open(name,'w') - fout.write(com) - fout.close diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C0/species.txt b/output/RMG_database/kinetics_libraries/Glarborg/C0/species.txt deleted file mode 100755 index 4f14900126..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C0/species.txt +++ /dev/null @@ -1,35 +0,0 @@ -/// H,O species -O -1 O 2T - -H -1 H 1 - -OH -1 O 1 {2,S} -2 H 0 {1,S} - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -H2O -1 O 0 {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - -HO2 -1 O 0 {2,S} {3,S} -2 O 1 {1,S} -3 H 0 {1,S} - -H2O2 -1 O 0 {2,S} -2 O 0 {1,S} - - - diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C1/3rdBodyReactions.C1 b/output/RMG_database/kinetics_libraries/Glarborg/C1/3rdBodyReactions.C1 deleted file mode 100644 index da189c814d..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C1/3rdBodyReactions.C1 +++ /dev/null @@ -1,46 +0,0 @@ -// small molecule oxidation library, third body reaction file, version 2, JS, August 6, 2003 -// originally from Leeds methane oxidation mechanism v1.5 -// http://www.chem.leeds.ac.uk/Combustion/Combustion.html - -//reduced by cfg - -Unit: -A: mol/cm3/s -E: kJ/mol - -Reactions: - - -H + H + M = H2 + M 7.0E17 -1.000 0 0.0 0.0 0.0 - N2/0/ H2O/0/ H2/0/ - - H + O + M = OH + M 6.2E16 -0.600 0 0.0 0.0 0.0 - H2O/5/ - - O + O + M = O2 + M 1.9E13 0.000 -1788 0.0 0.0 0.0 - N2/1.5/ O2/1.5/ H2O/10/ - - - OH + H + M = H2O + M 4.5E22 -2.000 0 0.0 0.0 0.0 - AR/0.38/ H2/0.73/ H2O/12/ - -// C1 - - //CH2 + M = CH + H + M 5.6E15 0.000 89000 0.0 0.0 0.0 - //CH2 + M = C + H2 + M 5.8E12 0.500 68500 0.0 0.0 0.0 - - - CH2(S) + M = CH2 + M 1.0E13 0.000 0 0.0 0.0 0.0 - N2/0/ H2O/0/ AR/0/ H/0/ - - - - - - - - - - - - diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C1/pdepreactions.txt b/output/RMG_database/kinetics_libraries/Glarborg/C1/pdepreactions.txt deleted file mode 100644 index 077458d61c..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C1/pdepreactions.txt +++ /dev/null @@ -1,278 +0,0 @@ -// CFG from Glarborg - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - -// C1 - CH2O (+M) = HCO + H (+M) 8.0E15 0.000 87726 0.0 0.0 0.0 - N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ - LOW /3.734E15 0.0 73479/ - - CH2O (+M) = CO + H2 (+M) 3.7E13 0.000 71969 0.0 0.0 0.0 - N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ - LOW /5.661E15 0.0 65849/ - -// CFG from Glarborg; extra collision efficiencies taken from Leeds - - H + O2 (+M) = HO2 (+M) 1.5E12 0.600 0 0.0 0.0 0.0 - N2/0/ AR/0/ H2O/11/ H2/2/ O2/0.78/ - LOW / 3.5E16 -0.41 -1116 / - TROE / 0.5 1.0E-30 1.0E30 / - - -// H + O2 (+AR) = HO2 (+AR) 1.5E12 0.600 0 0.0 0.0 0.0 -// LOW / 9.04E19 -1.500 490 / -// TROE / 0.5 1.0E-30 1.0E30 / - -// H + O2 (+N2) = HO2 (+N2) 1.5E12 0.600 0 0.0 0.0 0.0 -// LOW / 6.37E20 -1.720 520 / -// TROE / 0.8 1.0E-30 1.0E30 / - - - H2O2 (+M) = OH + OH (+M) 4.0E11 0.000 37137 0.0 0.0 0.0 - H2O/12/ H2/2.5/ AR/0.64/ - LOW /2.291E16 0.0 43638/ - TROE /0.5 1E-30 1E30 1E30/ - - - - CO + O (+M) = CO2 (+M) 1.8E10 0.000 2384 0.0 0.0 0.0 - H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ - LOW /1.35E24 -2.79 4191/ - TROE /1.0 1E-30 1E30 1E30/ - - -// C1 system - - CH3 + H (+M) = CH4 (+M) 2.1E14 0.000 0 0.0 0.0 0.0 - CH4/1.9/ C2H6/4.8/ - LOW /6.467E23 -1.8 0/ - TROE /0.6376 1E-30 3230 1E30/ - - - - CH2 + H (+M) = CH3 (+M) 3.8E16 -0.800 0 0.0 0.0 0.0 - N2/1.0/ H2O/6/ AR/0.7/ - LOW / 4.8E27 -3.14 1230/ - TROE/ 0.68 78 1995 5590 / - - - - - CH3 + CH3 (+M) = C2H6 (+M) 3.6E13 0.000 0 0.0 0.0 0.0 - N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ - LOW /1.269E41 -7.0 2762/ - TROE /0.62 73 1180 1E30/ - - - CH3OH (+M) = CH3 + OH (+M) 2.1E18 -0.6148 92540 0.0 0.0 0.0 - N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ - LOW /2.60E49 -8.80 101500/ - TROE /0.7656 1910 59.51 9374/ - - - CH2OH (+M) = CH2O + H (+M) 2.8E14 -0.730 32820 0.0 0.0 0.0 - H2/2/ H2O/5/ CO/2/ CO2/3/ - LOW /6.01E33 -5.39 36200/ - TROE /0.96 67.6 1855 7543/ - - - CH2OH + H (+M) = CH3OH (+M) 4.3E15 -0.790 0 0.0 0.0 0.0 - N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ - LOW /3.844E37 -6.21 1333/ - TROE /0.25 210 1434 1E30/ - - CH3O (+M) = CH2O + H (+M) 6.8E13 0.000 26154 0.0 0.0 0.0 - N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ - LOW /1.867E25 -3.0 24291/ - TROE /0.5 1000 2000/ - - - CH3O + H (+M) = CH3OH (+M) 2.4E12 0.515 50 0.0 0.0 0.0 - N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ - LOW /4.66E41 -7.44 14080/ - TROE /0.7 100 90000 10000/ - -//reduced by cfg - -H + H + M = H2 + M 7.0E17 -1.000 0 0.0 0.0 0.0 - N2/0/ H2O/0/ H2/0/ - - H + O + M = OH + M 6.2E16 -0.600 0 0.0 0.0 0.0 - H2O/5/ - - O + O + M = O2 + M 1.9E13 0.000 -1788 0.0 0.0 0.0 - N2/1.5/ O2/1.5/ H2O/10/ - - - OH + H + M = H2O + M 4.5E22 -2.000 0 0.0 0.0 0.0 - AR/0.38/ H2/0.73/ H2O/12/ - -// C1 - - //CH2 + M = CH + H + M 5.6E15 0.000 89000 0.0 0.0 0.0 - //CH2 + M = C + H2 + M 5.8E12 0.500 68500 0.0 0.0 0.0 - - - CH2(S) + M = CH2 + M 1.0E13 0.000 0 0.0 0.0 0.0 - N2/0/ H2O/0/ AR/0/ H/0/ - - -// ***************************************************************************** -// PLOG Reactions: CO/CO2 subset * -// ***************************************************************************** - -// (0.001-2000 bar, 300 CH2O + OH 2.4E12 -0.925 1567 0.0 0.0 0.0 -// 10 atm -//CH2OOH => CH2O + OH 2.5E13 -0.927 1579 0.0 0.0 0.0 -// 100 atm -//CH2OOH => CH2O + OH 7.0E14 -1.064 1744 0.0 0.0 0.0 -// However, if it did exist, it would look something like this in PLOG form: -// // High-P limit rate is Garborg's 100 atm rate -// CH2OOH => CH2O + OH 7.0E14 -1.064 1744 0.0 0.0 0.0 -// PLOG / 1 2.4E12 -0.925 1567 / -// PLOG / 10 2.5E13 -0.927 1579 / -// PLOG / 100 7.0E14 -1.064 1744 / diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C1/reactions.full b/output/RMG_database/kinetics_libraries/Glarborg/C1/reactions.full deleted file mode 100644 index 523a6c407c..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C1/reactions.full +++ /dev/null @@ -1,437 +0,0 @@ -// CFG - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - H + O2 = O + OH 3.6E15 -0.410 16600 0.0 0.0 0.0 - - H + H + H2 = H2 + H2 1.0E17 -0.600 0 0.0 0.0 0.0 - H + H + H2O = H2 + H2O 1.0E19 -1.000 0 0.0 0.0 0.0 - - O + H2 = OH + H 3.8E12 0.000 7948 0.0 0.0 0.0 -// DUPLICATE - O + H2 = OH + H 8.8E14 0.000 19175 0.0 0.0 0.0 -// DUPLICATE - - OH + OH = O + H2O 4.3E03 2.700 -1822 0.0 0.0 0.0 - - - OH + H2 = H + H2O 2.1E08 1.520 3449 0.0 0.0 0.0 - H2 + O2 = HO2 + H 7.4E05 2.433 53502 0.0 0.0 0.0 - HO2 + H = OH + OH 8.4E13 0.000 400 0.0 0.0 0.0 - HO2 + H = H2O + O 1.4E12 0.000 0 0.0 0.0 0.0 - HO2 + O = OH + O2 1.6E13 0.000 -445 0.0 0.0 0.0 - - HO2 + OH = H2O + O2 3.6E21 -2.100 9000 0.0 0.0 0.0 - // DUPLICATE - HO2 + OH = H2O + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - // DUPLICATE -// HO2 + OH = H2O + O2 -2.2E96 -24.000 49000 0.0 0.0 0.0 - // DUPLICATE - - HO2 + HO2 = H2O2 + O2 1.9E11 0.000 -1408 0.0 0.0 0.0 - // DUPLICATE - HO2 + HO2 = H2O2 + O2 1.0E14 0.000 11034 0.0 0.0 0.0 - // DUPLICATE - - H2O2 + H = H2O + OH 1.0E13 0.000 3580 0.0 0.0 0.0 - H2O2 + H = HO2 + H2 1.7E12 0.000 3760 0.0 0.0 0.0 - H2O2 + O = HO2 + OH 9.6E06 2.000 3970 0.0 0.0 0.0 - - H2O2 + OH = H2O + HO2 1.9E12 0.000 427 0.0 0.0 0.0 - // DUPLICATE - H2O2 + OH = H2O + HO2 1.6E18 0.000 29410 0.0 0.0 0.0 - // DUPLICATE - -// -// ***************************************************************************** -// CO/CO2 subset * -// ***************************************************************************** -// - - - CO + O2 = CO2 + O 4.7E12 0.000 60500 0.0 0.0 0.0 - CO + HO2 = CO2 + OH 1.6E05 2.180 17943 0.0 0.0 0.0 -// (0.001 bar, 300 CH2O + OH 2.4E12 -0.925 1567 0.0 0.0 0.0 -// 10 atm -CH2OOH => CH2O + OH 2.5E13 -0.927 1579 0.0 0.0 0.0 -// 100 atm -//CH2OOH => CH2O + OH 7.0E14 -1.064 1744 0.0 0.0 0.0 diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C1/reactions.light b/output/RMG_database/kinetics_libraries/Glarborg/C1/reactions.light deleted file mode 100644 index daf1651f8b..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C1/reactions.light +++ /dev/null @@ -1,409 +0,0 @@ -// CFG - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - H + O2 = O + OH 3.6E15 -0.410 16600 0.0 0.0 0.0 - - H + H + H2 = H2 + H2 1.0E17 -0.600 0 0.0 0.0 0.0 - H + H + H2O = H2 + H2O 1.0E19 -1.000 0 0.0 0.0 0.0 - - O + H2 = OH + H 3.8E12 0.000 7948 0.0 0.0 0.0 -// DUPLICATE - O + H2 = OH + H 8.8E14 0.000 19175 0.0 0.0 0.0 -// DUPLICATE - - OH + OH = O + H2O 4.3E03 2.700 -1822 0.0 0.0 0.0 - - - OH + H2 = H + H2O 2.1E08 1.520 3449 0.0 0.0 0.0 - H2 + O2 = HO2 + H 7.4E05 2.433 53502 0.0 0.0 0.0 - HO2 + H = OH + OH 8.4E13 0.000 400 0.0 0.0 0.0 - HO2 + H = H2O + O 1.4E12 0.000 0 0.0 0.0 0.0 - HO2 + O = OH + O2 1.6E13 0.000 -445 0.0 0.0 0.0 - - HO2 + OH = H2O + O2 3.6E21 -2.100 9000 0.0 0.0 0.0 - // DUPLICATE - HO2 + OH = H2O + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - // DUPLICATE -// HO2 + OH = H2O + O2 -2.2E96 -24.000 49000 0.0 0.0 0.0 - // DUPLICATE - - HO2 + HO2 = H2O2 + O2 1.9E11 0.000 -1408 0.0 0.0 0.0 - // DUPLICATE - HO2 + HO2 = H2O2 + O2 1.0E14 0.000 11034 0.0 0.0 0.0 - // DUPLICATE - - H2O2 + H = H2O + OH 1.0E13 0.000 3580 0.0 0.0 0.0 - H2O2 + H = HO2 + H2 1.7E12 0.000 3760 0.0 0.0 0.0 - H2O2 + O = HO2 + OH 9.6E06 2.000 3970 0.0 0.0 0.0 - - H2O2 + OH = H2O + HO2 1.9E12 0.000 427 0.0 0.0 0.0 - // DUPLICATE - H2O2 + OH = H2O + HO2 1.6E18 0.000 29410 0.0 0.0 0.0 - // DUPLICATE - -// -// ***************************************************************************** -// CO/CO2 subset * -// ***************************************************************************** -// - - - CO + O2 = CO2 + O 4.7E12 0.000 60500 0.0 0.0 0.0 - CO + HO2 = CO2 + OH 1.6E05 2.180 17943 0.0 0.0 0.0 -// (0.001 bar, 300 CH2O + OH 2.4E12 -0.925 1567 0.0 0.0 0.0 -// 10 atm -CH2OOH => CH2O + OH 2.5E13 -0.927 1579 0.0 0.0 0.0 -// 100 atm -//CH2OOH => CH2O + OH 7.0E14 -1.064 1744 0.0 0.0 0.0 - - - -// -// ***************************************************************************** -// C2 subset * -// ***************************************************************************** -// - - C2H6 + H = C2H5 + H2 9.8E13 0.000 9220 0.0 0.0 0.0 - C2H6 + O = C2H5 + OH 1.1E-07 6.500 274 0.0 0.0 0.0 - C2H6 + OH = C2H5 + H2O 9.2E06 2.000 990 0.0 0.0 0.0 - C2H6 + HO2 = C2H5 + H2O2 1.1E05 2.500 16850 0.0 0.0 0.0 - C2H6 + O2 = C2H5 + HO2 7.3E05 2.500 49160 0.0 0.0 0.0 - - C2H6 + CH3 = C2H5 + CH4 5.6E10 0.000 9418 0.0 0.0 0.0 - // DUPLICATE - C2H6 + CH3 = C2H5 + CH4 8.4E14 0.000 22250 0.0 0.0 0.0 - // DUPLICATE - - C2H6 + CH2(S) = C2H5 + CH3 1.2E14 0.000 0 0.0 0.0 0.0 - - - C2H5 + O = CH3 + CH2O 4.2E13 0.000 0 0.0 0.0 0.0 - C2H5 + O = CH3CHO + H 5.3E13 0.000 0 0.0 0.0 0.0 - C2H5 + O = C2H4 + OH 3.1E13 0.000 0 0.0 0.0 0.0 - C2H5 + OH = C2H4 + H2O 2.4E13 0.000 0 0.0 0.0 0.0 - C2H5 + HO2 = CH3CH2O + OH 3.1E13 0.000 0 0.0 0.0 0.0 - - C2H5 + O2 = C2H4 + HO2 1.4E07 1.090 -1975 0.0 0.0 0.0 - - C2H5 + CH2O = C2H6 + HCO 5.5E03 2.810 5860 0.0 0.0 0.0 - C2H5 + HCO = C2H6 + CO 4.3E13 0.000 0 0.0 0.0 0.0 -//C2H5 + HCO = C2H6 + CO 1.2E14 0.000 0 0.0 0.0 0.0 - C2H5 + CH3 = C2H4 + CH4 9.0E11 0.000 0 0.0 0.0 0.0 - C2H5 + C2H5 = C2H6 + C2H4 1.5E12 0.000 0 0.0 0.0 0.0 - - C2H4 + H = C2H3 + H2 2.4E02 3.620 11266 0.0 0.0 0.0 -// CH4 + CH = C2H4 + H 3.0E13 0.000 -400 0.0 0.0 0.0 - CH3 + CH2 = C2H4 + H 4.2E13 0.000 0 0.0 0.0 0.0 - CH3 + CH2(S) = C2H4 + H 2.0E13 0.000 0 0.0 0.0 0.0 - - C2H4 + O = CH3 + HCO 3.9E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - C2H4 + O = CH3 + HCO 6.2E13 0.000 6855 - // DUPLICATE 0.0 0.0 0.0 - - C2H4 + O = CH2CHO + H 1.7E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - C2H4 + O = CH2CHO + H 2.8E13 0.000 6855 0.0 0.0 0.0 - // DUPLICATE - - C2H4 + OH = C2H3 + H2O 1.3E-1 4.200 -860 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH3 + CH2O 1.8E06 1.680 2061 0.0 0.0 0.0 -// 10 atm -C2H4 + OH = CH3 + CH2O 2.4E09 0.560 6007 0.0 0.0 0.0 -// fit to 60 atm,600-900K -// C2H4 + OH = CH3 + CH2O 3.3E11 0.000 9079 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH3 + CH2O 2.8E13 -0.500 11455 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH3CHO + H 2.4E-2 3.910 1723 0.0 0.0 0.0 -// 10 atm -C2H4 + OH = CH3CHO + H 8.2E08 1.010 10507 0.0 0.0 0.0 -// fit to 60 atm,600-900K -// C2H4 + OH = CH3CHO + H 1.4E33 -6.114 24907 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH3CHO + H 6.8E09 0.810 13867 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH2CHOH + H 3.2E05 2.190 5256 0.0 0.0 0.0 -// 10 atm -C2H4 + OH = CH2CHOH + H 1.9E08 1.430 7829 0.0 0.0 0.0 -// fit to 60 atm,600-900K -// C2H4 + OH = CH2CHOH + H 1.7E13 0.000 11527 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH2CHOH + H 8.5E10 0.750 11491 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH2CH2OH 6.0E37 -8.140 8043 0.0 0.0 0.0 -// // DUPLICATE -//C2H4 + OH = CH2CH2OH 7.3E23 -6.910 2855 -// // DUPLICATE -// 10 atm -C2H4 + OH = CH2CH2OH 6.0E37 -7.770 10736 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H4 + OH = CH2CH2OH 3.0E26 -4.870 2297 0.0 0.0 0.0 -// // DUPLICATE -//C2H4 + OH = CH2CH2OH 6.0E37 -7.440 14269 -// // DUPLICATE -// fit to 60 atm,600-900K -// C2H4 + OH = CH2CH2OH 2.4E20 -2.399 3294 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH2CH2OH 2.8E19 -2.410 1011 0.0 0.0 0.0 -// // DUPLICATE - - C2H4 + HO2 = cC2H4O + OH 2.2E12 0.000 17200 0.0 0.0 0.0 - C2H4 + O2 = C2H3 + HO2 7.1E13 0.000 60010 0.0 0.0 0.0 - C2H4 + CH3 = C2H3 + CH4 6.0E07 1.560 16630 0.0 0.0 0.0 - - C2H3 + H = C2H2 + H2 4.5E13 0.000 0 0.0 0.0 0.0 -// CH3 + CH = C2H3 + H 3.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + O = CH2CO + H 3.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + OH = C2H2 + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - - C2H3 + HO2 = CH2CHO + OH 3.0E13 0.000 0 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2CHOO 1.1E12 0.000 -1680 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2O + HCO 6.3E12 0.000 3130 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2CHO + O 4.8E12 0.000 4800 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = C2H2 + HO2 7.6E11 0.000 7930 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH3O + CO 2.8E11 0.000 3130 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH3 + CO2 1.3E10 0.000 3130 0.0 0.0 0.0 - - - C2H3 + CH2O = C2H4 + HCO 5.4E03 2.810 5860 0.0 0.0 0.0 - C2H3 + HCO = C2H4 + CO 9.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + CH3 = C2H2 + CH4 2.1E13 0.000 0 0.0 0.0 0.0 -// C2H3 + CH = CH2 + C2H2 5.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + C2H3 = C2H4 + C2H2 1.5E13 0.000 0 0.0 0.0 0.0 - C2H3 + C2H = C2H2 + C2H2 3.0E13 0.000 0 0.0 0.0 0.0 - -// CH3 + C = C2H2 + H 5.0E13 0.000 0 0.0 0.0 0.0 -// CH2 + CH = C2H2 + H 4.0E13 0.000 0 0.0 0.0 0.0 - CH2 + CH2 = C2H2 + H + H 3.2E13 0.000 0 0.0 0.0 0.0 -//CH2 + CH2 = C2H2 + H + H 4.0E13 0.000 0 0.0 0.0 0.0 - - C2H2 + O = HCCO + H 1.4E07 2.000 1900 0.0 0.0 0.0 - C2H2 + O = CH2 + CO 6.1E06 2.000 1900 0.0 0.0 0.0 - C2H2 + O = C2H + OH 3.2E15 -0.600 15000 0.0 0.0 0.0 - -// 1 atm -//C2H2 + OH = CH3 + CO 1.3E09 0.730 2579 0.0 0.0 0.0 -// 10 atm -C2H2 + OH = CH3 + CO 4.3E08 0.920 3736 0.0 0.0 0.0 -// 100 atm - C2H2 + OH = CH3 + CO 8.3E05 1.770 4697 0.0 0.0 0.0 - -// 1 atm -//C2H2 + OH = HCCOH + H 2.4E06 2.000 12713 0.0 0.0 0.0 -// 10 atm -C2H2 + OH = HCCOH + H 3.2E06 1.970 12810 0.0 0.0 0.0 -// 100 atm - C2H2 + OH = HCCOH + H 7.3E06 1.890 13603 0.0 0.0 0.0 - -// 1 atm -//C2H2 + OH = CHCHOH 1.9E44 -11.380 6299 0.0 0.0 0.0 -// // DUPLICATE -// 1 atm -//C2H2 + OH = CHCHOH 3.5E31 -6.200 6635 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H2 + OH = CHCHOH 1.5E24 -4.060 3261 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H2 + OH = CHCHOH 4.5E31 -5.920 8761 0.0 0.0 0.0 -// // DUPLICATE -// 100 atm - C2H2 + OH = CHCHOH 6.2E20 -2.800 2831 0.0 0.0 0.0 - // DUPLICATE -// 100 atm - C2H2 + OH = CHCHOH 1.6E29 -4.910 9734 0.0 0.0 0.0 - // DUPLICATE -// >>100 atm -//C2H2 + OH = CHCHOH 1.1E08 1.340 332 0.0 0.0 0.0 -// // DUPLICATE -// >>100 atm -//C2H2 + OH = CHCHOH 6.0E07 1.620 240 0.0 0.0 0.0 -// // DUPLICATE - -// 1 atm -//C2H2 + OH = CH2CO + H 7.5E06 1.550 2106 0.0 0.0 0.0 -// 10 atm -C2H2 + OH = CH2CO + H 5.1E06 1.650 3400 0.0 0.0 0.0 -// 100 atm - C2H2 + OH = CH2CO + H 1.5E04 2.450 4477 0.0 0.0 0.0 - - C2H2 + HO2 = CH2O + HCO 3.0E12 0.000 10000 0.0 0.0 0.0 - C2H2 + HO2 = CH2CHO + O 3.0E12 0.000 10000 0.0 0.0 0.0 - C2H2 + O2 = HCO + HCO 7.0E07 1.800 30600 0.0 0.0 0.0 - C2H2 + CH2(S) = C2H2 + CH2 4.0E13 0.000 0 0.0 0.0 0.0 - - H2CC = C2H2 1.0E07 0.000 0 0.0 0.0 0.0 - H2CC + H = C2H2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - H2CC + OH = CH2CO + H 2.0E13 0.000 0 0.0 0.0 0.0 - H2CC + O2 = CH2 + CO2 1.0E13 0.000 0 0.0 0.0 0.0 - - C2 + H2 = C2H + H 4.0E05 2.40 1000 0.0 0.0 0.0 -// CH2 + C = C2H + H 5.0E13 0.000 0 0.0 0.0 0.0 -// C2H + O = CH + CO 5.0E13 0.000 0 0.0 0.0 0.0 - C2H + OH = HCCO + H 2.0E13 0.000 0 0.0 0.0 0.0 - C2H + OH = C2 + H2O 4.0E07 2.000 8000 0.0 0.0 0.0 - C2H + H2 = C2H2 + H 4.1E05 2.390 864 0.0 0.0 0.0 - C2H + O2 = CO + CO + H 4.7E13 -0.16 0 0.0 0.0 0.0 - C2H + CH4 = CH3 + C2H2 7.2E12 0.000 976 0.0 0.0 0.0 - - -// C2 + O = C + CO 1.0E14 0.000 0 0.0 0.0 0.0 - C2 + OH = C2O + H 5.0E13 0.000 0 0.0 0.0 0.0 - C2 + O2 = CO + CO 9.0E12 0.000 980 0.0 0.0 0.0 - - - CH3CH2OH + H = CH3CHOH + H2 2.6E07 1.650 2827 0.0 0.0 0.0 - CH3CH2OH + H = CH2CH2OH + H2 1.2E07 1.800 5098 0.0 0.0 0.0 - CH3CH2OH + H = CH3CH2O + H2 1.5E07 1.650 3038 0.0 0.0 0.0 - CH3CH2OH + O = CH3CHOH + OH 1.9E07 1.850 1824 0.0 0.0 0.0 - CH3CH2OH + O = CH2CH2OH + OH 9.4E07 1.700 5459 0.0 0.0 0.0 - CH3CH2OH + O = CH3CH2O + OH 1.6E07 2.000 4448 0.0 0.0 0.0 - CH3CH2OH + OH = CH3CHOH + H2O 4.6E11 0.150 0 0.0 0.0 0.0 - CH3CH2OH + OH = CH2CH2OH + H2O 1.7E11 0.270 600 0.0 0.0 0.0 - CH3CH2OH + OH = CH3CH2O + H2O 7.5E11 0.300 1634 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH3CHOH + H2O2 8.2E03 2.550 10750 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH2CH2OH + H2O2 1.2E04 2.550 15750 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH3CH2O + H2O2 2.5E12 0.000 24000 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH3CHOH + CH4 7.3E02 2.990 7948 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH2CH2OH + CH4 2.2E02 3.180 9622 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH3CH2O + CH4 1.5E02 2.990 7649 0.0 0.0 0.0 - - CH3CHOH + O = CH3CHO + OH 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHOH + H = CH2OH + CH3 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CHOH + H = C2H4 + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CHOH + OH = CH3CHO + H2O 5.0E12 0.000 0 0.0 0.0 0.0 - CH3CHOH + HO2 = CH3CHO + OH + OH 4.0E13 0.000 0 0.0 0.0 0.0 - - CH3CHOH + O2 = CH3CHO + HO2 8.4E15 -1.200 0 0.0 0.0 0.0 - // DUPLICATE - CH3CHOH + O2 = CH3CHO + HO2 4.8E14 0.000 5017 0.0 0.0 0.0 - // DUPLICATE - - CH2CH2OH = CH2CHOH + H 2.2E05 2.840 32920 0.0 0.0 0.0 - CH3CH2O = CH2CH2OH 2.8E-29 11.900 4450 0.0 0.0 0.0 - CH2CH2OH + H = CH3 + CH2OH 1.0E14 0.000 0 0.0 0.0 0.0 - - CH2CH2OH + O = CH2O + CH2OH 4.0E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + O = HOCH2CHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + OH = CH2CHOH + H2O 2.4E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + OH = HOCH2CHOH 3.3E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + HO2 = CH3CH2OH + O2 1.0E12 0.000 0 0.0 0.0 0.0 - CH2CH2OH + HO2 = >CH2OH + CH2O + OH 3.0E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + HO2 = HOCH2CH2O + OH 3.0E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + O2 = CH2CHOH + HO2 1.4E07 1.090 -1975 0.0 0.0 0.0 - - CH3CH2O = CH3CHO + H 1.3E13 0.000 20060 0.0 0.0 0.0 - CH3CH2O + H = CH3CHO + H2 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CH2O + OH = CH3CHO + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CH2O + O2 = CH3CHO + HO2 1.5E10 0.000 645 0.0 0.0 0.0 - CH3CH2O + CO = C2H5 + CO2 9.5E25 -4.930 9080 0.0 0.0 0.0 - - - CH3CHO + H = CH3CO + H2 4.7E13 -0.350 3000 0.0 0.0 0.0 - CH3CHO + H = CH2CHO + H2 1.9E12 0.400 5359 0.0 0.0 0.0 - CH3CHO + O = CH3CO + OH 1.8E18 -1.900 2975 0.0 0.0 0.0 - CH3CHO + O = CH2CHO + OH 3.7E13 -0.200 3556 0.0 0.0 0.0 - CH3CHO + OH = CH3CO + H2O 2.4E11 0.300 -1000 0.0 0.0 0.0 - CH3CHO + OH = CH2CHO + H2O 3.0E13 -0.600 800 0.0 0.0 0.0 - CH3CHO + HO2 = CH3CO + H2O2 2.4E19 -2.200 14030 0.0 0.0 0.0 - CH3CHO + HO2 = CH2CHO + H2O2 2.3E11 0.400 14864 0.0 0.0 0.0 - CH3CHO + O2 = CH3CO + HO2 1.2E05 2.500 37554 0.0 0.0 0.0 - CH3CHO + CH3 = CH3CO + CH4 3.9E-07 5.800 2200 0.0 0.0 0.0 - CH3CHO + CH3 = CH2CHO + CH4 2.5E01 3.150 5727 0.0 0.0 0.0 - - cC2H4O = CH2CHO + H 1.8E13 0.200 71780 0.0 0.0 0.0 - cC2H4O = CH3 + HCO 5.6E13 0.400 61880 0.0 0.0 0.0 - cC2H4O = CH3CO + H 2.4E13 0.250 65310 0.0 0.0 0.0 - cC2H4O = CH2CO + H2 3.6E12 -0.200 63030 0.0 0.0 0.0 - cC2H4O = CH3CHO 3.2E12 -0.750 46424 0.0 0.0 0.0 - cC2H4O = C2H2 + H2O 7.6E12 0.060 69530 0.0 0.0 0.0 -//cC2H4O + H = CH3CHO + H 5.6E13 0.000 10950 0.0 0.0 0.0 - cC2H4O + H = cC2H3O + H2 2.0E13 0.000 8310 0.0 0.0 0.0 - cC2H4O + H = C2H3 + H2O 5.0E09 0.000 5000 0.0 0.0 0.0 - cC2H4O + H = C2H4 + OH 9.5E10 0.000 5000 0.0 0.0 0.0 - cC2H4O + O = cC2H3O + OH 1.9E12 0.000 5250 0.0 0.0 0.0 - cC2H4O + OH = cC2H3O + H2O 1.8E13 0.000 3610 0.0 0.0 0.0 - cC2H4O + HO2 = cC2H3O + H2O2 4.0E12 0.000 17000 0.0 0.0 0.0 - cC2H4O + O2 = cC2H3O + HO2 4.0E13 0.000 61500 0.0 0.0 0.0 - cC2H4O + CH3 = cC2H3O + CH4 1.1E12 0.000 11830 0.0 0.0 0.0 - - CH2CHOH + H = CHCHOH + H2 2.4E02 3.630 11266 0.0 0.0 0.0 - CH2CHOH + H = CH2CHO + H2 1.5E07 1.700 3000 0.0 0.0 0.0 - - CH2CHOH + O = CH2OH + HCO 3.9E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - CH2CHOH + O = CH2OH + HCO 6.2E13 0.000 6855 - // DUPLICATE - - CH2CHOH + O = CH2CHO + OH 1.6E07 2.000 4400 0.0 0.0 0.0 - CH2CHOH + OH = CHCHOH + H2O 1.3E-1 4.200 -860 0.0 0.0 0.0 - CH2CHOH + OH = CH2CHO + H2O 7.5E11 0.300 1600 0.0 0.0 0.0 - CH2CHOH + O2 = >CH2O + HCO + OH 3.5E07 1.800 39000 0.0 0.0 0.0 - -// 1 atm -// CHCHOH = HCCOH + H 1.1E31 -6.153 51383 0.0 0.0 0.0 -// 10 atm -CHCHOH = HCCOH + H 1.5E32 -6.168 52239 0.0 0.0 0.0 -// 100 atm -//CHCHOH = HCCOH + H 5.5E29 -5.057 52377 0.0 0.0 0.0 - - CHCHOH + H = CH2CHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CHCHOH + O = OCHCHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CHCHOH + O2 = HCCOH + HO2 1.4E02 3.400 3700 0.0 0.0 0.0 -//#CHCHOH + O2 = OCHCHO + OH 2.5E12 0.000 0 - - cC2H3O = CH2CHO 8.7E31 -6.900 14994 0.0 0.0 0.0 - cC2H3O = CH2CO + H 5.0E13 0.000 14863 0.0 0.0 0.0 - cC2H3O = CH3 + CO 7.1E12 0.000 14280 0.0 0.0 0.0 - - -// ( 0.01 bar) -//CH2CHO = CH2CO + H 2.4E25 -4.800 43424 0.0 0.0 0.0 -// ( 0.1 bar) -//CH2CHO = CH2CO + H 2.4E30 -5.860 46114 0.0 0.0 0.0 -// ( 1 bar) -//CH2CHO = CH2CO + H 1.3E34 -6.570 49454 0.0 0.0 0.0 -// ( 10 bar) -CH2CHO = CH2CO + H 3.5E36 -6.920 52979 0.0 0.0 0.0 -// (100 bar) -// CH2CHO = CH2CO + H 1.2E36 -6.480 55171 0.0 0.0 0.0 -// (high-PL) -//CH2CHO = CH2CO + H 1.4E15 -0.150 45606 0.0 0.0 0.0 - -// ( 0.01 bar) -//CH2CHO = CH3 + CO 1.2E30 -6.070 41332 0.0 0.0 0.0 -// ( 0.1 bar) -//CH2CHO = CH3 + CO 6.4E32 -6.570 44282 0.0 0.0 0.0 -// ( 1 bar) -//CH2CHO = CH3 + CO 6.5E34 -6.870 47191 0.0 0.0 0.0 -// ( 10 bar) -CH2CHO = CH3 + CO 2.2E35 -6.760 49548 0.0 0.0 0.0 -// (100 bar) -// CH2CHO = CH3 + CO 2.2E33 -5.970 50448 0.0 0.0 0.0 -// (high-PL) -//CH2CHO = CH3 + CO 2.9E12 0.290 40326 0.0 0.0 0.0 - - CH2CHO + H = CH3 + HCO 1.0E14 0.000 0 0.0 0.0 0.0 - CH2CHO + H = CH3CO + H 3.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + H = CH2CO + H2 2.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + O = CH2CO + OH 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + OH = CH2CO + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + OH = CH2OH + HCO 1.0E13 0.000 0 0.0 0.0 0.0 - -// 1 atm -//CH2CHO + O2 = CH2O + CO + OH 5.7E17 -1.757 11067 0.0 0.0 0.0 -// 10 atm -CH2CHO + O2 = CH2O + CO + OH 1.1E14 -0.610 11422 0.0 0.0 0.0 -// 100 atm -// CH2CHO + O2 = CH2O + CO + OH 1.5E-10 6.690 4868 0.0 0.0 0.0 - -//#CH2CHO + O2 = OCHCHO + OH 2.2E11 0.000 1500 0.0 0.0 0.0 - CH2CHO + CH3 = C2H5 + CO + H 4.9E14 -0.500 0 0.0 0.0 0.0 - CH2CHO + HO2 = CH2O + HCO + OH 7.0E12 -0.500 0 0.0 0.0 0.0 - CH2CHO + HO2 = CH3CHO + O2 3.0E12 -0.500 0 0.0 0.0 0.0 - CH2CHO + CH2 = C2H4 + HCO 5.0E13 0.000 0 0.0 0.0 0.0 -// CH2CHO + CH = C2H3 + HCO 1.0E14 0.000 0 0.0 0.0 0.0 - -// ( 0.01 bar) -//CH3CO = CH3 + CO 6.9E14 -1.970 14584 0.0 0.0 0.0 -// ( 0.1 bar) -//CH3CO = CH3 + CO 2.0E16 -2.090 15197 0.0 0.0 0.0 -// ( 1 bar) -//CH3CO = CH3 + CO 6.5E18 -2.520 16436 0.0 0.0 0.0 -// ( 10 bar) -CH3CO = CH3 + CO 8.2E19 -2.550 17263 0.0 0.0 0.0 -// (100 bar) -// CH3CO = CH3 + CO 1.3E20 -2.320 18012 0.0 0.0 0.0 -// (high-PL) -//CH3CO = CH3 + CO 1.1E12 0.630 16895 0.0 0.0 0.0 - - CH2CO + H = CH3CO 2.3E08 1.610 2627 0.0 0.0 0.0 - CH3CO + H = CH3 + HCO 2.1E13 0.000 0 0.0 0.0 0.0 - CH3CO + H = CH2CO + H2 1.2E13 0.000 0 0.0 0.0 0.0 - CH3CO + O = CH3 + CO2 1.6E14 0.000 0 0.0 0.0 0.0 - CH3CO + O = CH2CO + OH 5.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + OH = CH2CO + H2O 1.2E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3OO = CH3 + CO2 + CH3O 2.4E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3 = C2H6 + CO 3.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3 = CH2CO + CH4 5.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + O2 = CH2O + CO + OH 1.9E12 0.000 0 0.0 0.0 0.0 - - CH2CO + H = CH3 + CO 3.3E10 0.851 2840 0.0 0.0 0.0 - CH2CO + H = HCCO + H2 3.0E07 2.000 10000 0.0 0.0 0.0 -// CH + CH2O = CH2CO + H 9.5E13 0.000 -517 0.0 0.0 0.0 - CH2CO + O = CO2 + CH2 1.8E12 0.000 1350 0.0 0.0 0.0 - CH2CO + O = HCCO + OH 2.0E07 2.000 10000 0.0 0.0 0.0 - CH2CO + OH = CH2OH + CO 1.0E12 0.000 -1013 0.0 0.0 0.0 - CH2CO + OH = CH3 + CO2 6.7E11 0.000 -1013 0.0 0.0 0.0 - CH2CO + OH = HCCO + H2O 1.0E07 2.000 3000 0.0 0.0 0.0 - CH2CO + CH2(S) = C2H4 + CO 1.6E14 0.000 0 0.0 0.0 0.0 - - HCCOH + H = HCCO + H2 3.0E07 2.000 1000 0.0 0.0 0.0 - HCCOH + O = HCCO + OH 2.0E07 2.000 1900 0.0 0.0 0.0 - HCCOH + OH = HCCO + H2O 1.0E07 2.000 1000 0.0 0.0 0.0 - - - HCCO + H = CH2(S) + CO 1.5E14 0.000 0 0.0 0.0 0.0 - HCCO + O = CO + CO + H 1.0E14 0.000 0 0.0 0.0 0.0 - HCCO + OH = HCO + HCO 1.0E13 0.000 0 0.0 0.0 0.0 - HCCO + OH = C2O + H2O 6.0E13 0.000 0 0.0 0.0 0.0 - HCCO + O2 = CO2 + CO + H 4.9E12 -0.142 1150 0.0 0.0 0.0 - HCCO + O2 = CO + CO + OH 1.6E11 -0.020 1020 0.0 0.0 0.0 - HCCO + O2 = HCO + CO + O 2.2E02 2.690 3540 0.0 0.0 0.0 - HCCO + CH2 = C2H3 + CO 3.0E13 0.000 0 0.0 0.0 0.0 -// HCCO + CH = C2H2 + CO 5.0E13 0.000 0 0.0 0.0 0.0 - HCCO + HCCO = C2H2 + CO + CO 1.0E13 0.000 0 0.0 0.0 0.0 - - - -// C2O + H = CH + CO 1.3E13 0.000 0 0.0 0.0 0.0 - C2O + O = CO + CO 5.2E13 0.000 0 0.0 0.0 0.0 - C2O + OH = CO + CO + H 2.0E13 0.000 0 0.0 0.0 0.0 - C2O + O2 = CO + CO + O 1.0E13 0.000 2600 0.0 0.0 0.0 - C2O + O2 = CO + CO2 1.0E13 0.000 2600 0.0 0.0 0.0 - -// C2O + C = CO + C2 1.0E14 0.000 0 0.0 0.0 0.0 - -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b], 1 bar) -// CH3CH2OOH = CH3CH2O + OH 2.0E35 -6.700 47450 0.0 0.0 0.0 -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b], 10 bar) -CH3CH2OOH = CH3CH2O + OH 1.1E28 -4.150 46190 0.0 0.0 0.0 -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b], 50 bar) -//CH3CH2OOH = CH3CH2O + OH 2.8E26 -3.500 46340 0.0 0.0 0.0 -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b],high P limit) -//CH3CH2OOH = CH3CH2O + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - - CH3CH2OOH + H = CH3CHOOH + H2 6.5E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + H = CH3CH2OO + H2 4.3E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + H = CH3CH2O + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + O = CH3CHOOH + OH 1.6E13 0.000 4750 0.0 0.0 0.0 - CH3CH2OOH + O = CH3CH2OO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH3CH2OOH + OH = CH3CHOOH + H2O 7.2E11 0.000 -258 0.0 0.0 0.0 - CH3CH2OOH + OH = CH3CH2OO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH3CH2OOH + HO2 = CH3CH2OO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - - - CH3CH2OO + H = CH3CH2O + OH 9.6E13 0.000 0 0.0 0.0 0.0 - CH3CH2OO + O = CH3CH2O + O2 1.6E13 0.000 -145 0.0 0.0 0.0 - CH3CH2OO + OH = CH3CH2OH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH3CH2OO + OH = CH3CH2O + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH3CH2OO + HO2 = CH3CH2OOH + O2 4.5E11 0.000 -1391 0.0 0.0 0.0 - CH3CH2OO + CO = CH3CH2O + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH3CH2OO + CH3 = CH3CH2O + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3CH2OO + CH4 = CH3CH2OOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH3CH2OO + CH3OH = CH3CH2OOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH3CH2OO + CH2O = CH3CH2OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH3CH2OO + C2H5 = CH3CH2O + CH3CH2O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3CH2OO + C2H6 = CH3CH2OOH + C2H5 8.6E00 3.760 17200 0.0 0.0 0.0 - CH3CH2OO + CH3CHO = CH3CH2OOH + CH3CO 2.4E19 -2.200 14030 0.0 0.0 0.0 - CH3CH2OO + CH3CHO = CH3CH2OOH + CH2CHO 2.3E11 0.400 14864 0.0 0.0 0.0 - CH3CH2OO + CH3CH2OO = CH3CH2O + CH3CH2O + O2 2.9E11 -0.270 408 0.0 0.0 0.0 - CH3CH2OO + CH3CH2OO = CH3CHO + CH3CH2OH + O2 4.3E09 0.000 -850 0.0 0.0 0.0 - -// 1 atm -// CH3CHOOH = CH3CHO + OH 3.5E12 -0.947 979 0.0 0.0 0.0 -// 10 atm -CH3CHOOH = CH3CHO + OH 3.5E13 -0.947 980 0.0 0.0 0.0 -// 100 atm -//CH3CHOOH = CH3CHO + OH 5.8E14 -1.012 1068 0.0 0.0 0.0 - - CH2CH2OOH = cC2H4O + OH 1.3E10 0.720 15380 0.0 0.0 0.0 - CH2CH2OOH = CH3CH2OO 1.2E07 1.040 17980 0.0 0.0 0.0 - CH2CH2OOH = C2H4 + HO2 1.3E11 0.520 16150 0.0 0.0 0.0 - -// est = CH3OOH = CH3O + OH, 1 bar -// CH2CHOOH = CH2CHO + OH 2.0E35 -6.700 47450 0.0 0.0 0.0 -// est = CH3OOH = CH3O + OH, 10 bar) -CH2CHOOH = CH2CHO + OH 1.1E28 -4.150 46190 0.0 0.0 0.0 -// est = CH3OOH = CH3O + OH, 50 bar) -//CH2CHOOH = CH2CHO + OH 2.8E26 -3.500 46340 0.0 0.0 0.0 -// est = CH3OOH = CH3O + OH,high P limit) -//CH2CHOOH = CH2CHO + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - - CH2CHOOH + H = CH2CHOO + H2 4.3E10 0.000 1860 0.0 0.0 0.0 - CH2CHOOH + H = CH2CHO + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH2CHOOH + O = CH2CHOO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH2CHOOH + OH = CH2CHOO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH2CHOOH + HO2 = CH2CHOO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - -// 100 atm - CH2CHOO = C2H2 + HO2 9.6E48 -8.868 110591 0.0 0.0 0.0 -// 100 atm - CH2CHOO = CH2O + HCO 3.1E47 -8.701 111046 0.0 0.0 0.0 -// 60atm, 6-900K fit - CH2CHOO = CYCOOC. 3.9E09 0.000 22250 0.0 0.0 0.0 -// 100 atm -//CH2CHOO = CYCOOC. 1.1E19 -2.782 26427 0.0 0.0 0.0 - - CH2CHOO + H = CH2CHO + OH 9.6E13 0.000 0 0.0 0.0 0.0 - CH2CHOO + O = CH2CHO + O2 1.6E13 0.000 -145 0.0 0.0 0.0 - CH2CHOO + OH = CH2CHOH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH2CHOO + OH = CH2CHO + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH2CHOO + HO2 = CH2CHOOH + O2 4.5E11 0.000 -1391 0.0 0.0 0.0 - CH2CHOO + CO = CH2CHO + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH2CHOO + CH3 = CH2CHO + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH2CHOO + CH4 = CH2CHOOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH2CHOO + CH3OH = CH2CHOOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH2CHOO + CH2O = CH2CHOOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH2CHOO + C2H6 = CH2CHOOH + C2H5 8.6E00 3.760 17200 0.0 0.0 0.0 - -// 60atm, 6-900K fit - CYCOOC. = CH2O + HCO 6.1E10 0.000 914 0.0 0.0 0.0 -// meohcys4e (100 atm) - CYCOOC. = OCHCHO + H 1.6E13 -1.093 3159 0.0 0.0 0.0 - - - - OCHCHO + H = CH2O + HCO 3.0E13 0.000 0 0.0 0.0 0.0 - OCHCHO + OH = HCO + CO + H2O 6.6E12 0.000 0 0.0 0.0 0.0 - - HOCH2CH2OO = CH2O + CH2O + OH 9.4E08 0.994 22250 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 = HOCH2CH2OOH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 = >HOCH2CH2O + OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 = >CH2O + CH2OH + OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 - HOCH2CH2OO + HO2 = >CH2OOH + CH2OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + CH2O = >HOCH2CH2OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -//HOCH2CH2OO + CH2O = >CH2O + CH2OH + OH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - HOCH2CH2OO + CH2O = >CH2OOH + CH2OH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -//HOCH2CH2OO + C2H4 = >HOCH2CH2O + CH3CHO 2.2E12 0.000 17200 0.0 0.0 0.0 - HOCH2CH2OO + C2H4 = >CH2O + CH2OH + CH3CHO 2.2E12 0.000 17200 0.0 0.0 0.0 diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C2/pdepreactions.txt b/output/RMG_database/kinetics_libraries/Glarborg/C2/pdepreactions.txt deleted file mode 100644 index 191c3b4c29..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C2/pdepreactions.txt +++ /dev/null @@ -1,414 +0,0 @@ -// CFG from Glarborg - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - -// C1 - CH2O (+M) = HCO + H (+M) 8.0E15 0.000 87726 0.0 0.0 0.0 - N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ - LOW /3.734E15 0.0 73479/ - - CH2O (+M) = CO + H2 (+M) 3.7E13 0.000 71969 0.0 0.0 0.0 - N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ - LOW /5.661E15 0.0 65849/ - -// CFG from Glarborg; extra collision efficiencies taken from Leeds - - H + O2 (+M) = HO2 (+M) 1.5E12 0.600 0 0.0 0.0 0.0 - N2/0/ AR/0/ H2O/11/ H2/2/ O2/0.78/ - LOW / 3.5E16 -0.41 -1116 / - TROE / 0.5 1.0E-30 1.0E30 / - - -// H + O2 (+AR) = HO2 (+AR) 1.5E12 0.600 0 0.0 0.0 0.0 -// LOW / 9.04E19 -1.500 490 / -// TROE / 0.5 1.0E-30 1.0E30 / - -// H + O2 (+N2) = HO2 (+N2) 1.5E12 0.600 0 0.0 0.0 0.0 -// LOW / 6.37E20 -1.720 520 / -// TROE / 0.8 1.0E-30 1.0E30 / - - - H2O2 (+M) = OH + OH (+M) 4.0E11 0.000 37137 0.0 0.0 0.0 - H2O/12/ H2/2.5/ AR/0.64/ - LOW /2.291E16 0.0 43638/ - TROE /0.5 1E-30 1E30 1E30/ - - - - CO + O (+M) = CO2 (+M) 1.8E10 0.000 2384 0.0 0.0 0.0 - H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ - LOW /1.35E24 -2.79 4191/ - TROE /1.0 1E-30 1E30 1E30/ - - -// C1 system - - CH3 + H (+M) = CH4 (+M) 2.1E14 0.000 0 0.0 0.0 0.0 - CH4/1.9/ C2H6/4.8/ - LOW /6.467E23 -1.8 0/ - TROE /0.6376 1E-30 3230 1E30/ - - - - CH2 + H (+M) = CH3 (+M) 3.8E16 -0.800 0 0.0 0.0 0.0 - N2/1.0/ H2O/6/ AR/0.7/ - LOW / 4.8E27 -3.14 1230/ - TROE/ 0.68 78 1995 5590 / - - - -// replaced by value in CFG_propane using Klippenstein's numbers -// CH3 + CH3 (+M) = C2H6 (+M) 3.6E13 0.000 0 0.0 0.0 0.0 -// N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ -// LOW /1.269E41 -7.0 2762/ -// TROE /0.62 73 1180 1E30/ - - - CH3OH (+M) = CH3 + OH (+M) 2.1E18 -0.6148 92540 0.0 0.0 0.0 - N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ - LOW /2.60E49 -8.80 101500/ - TROE /0.7656 1910 59.51 9374/ - - - CH2OH (+M) = CH2O + H (+M) 2.8E14 -0.730 32820 0.0 0.0 0.0 - H2/2/ H2O/5/ CO/2/ CO2/3/ - LOW /6.01E33 -5.39 36200/ - TROE /0.96 67.6 1855 7543/ - - - CH2OH + H (+M) = CH3OH (+M) 4.3E15 -0.790 0 0.0 0.0 0.0 - N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ - LOW /3.844E37 -6.21 1333/ - TROE /0.25 210 1434 1E30/ - - CH3O (+M) = CH2O + H (+M) 6.8E13 0.000 26154 0.0 0.0 0.0 - N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ - LOW /1.867E25 -3.0 24291/ - TROE /0.5 1000 2000/ - - - CH3O + H (+M) = CH3OH (+M) 2.4E12 0.515 50 0.0 0.0 0.0 - N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ - LOW /4.66E41 -7.44 14080/ - TROE /0.7 100 90000 10000/ - -//reduced by cfg - -H + H + M = H2 + M 7.0E17 -1.000 0 0.0 0.0 0.0 - N2/0/ H2O/0/ H2/0/ - - H + O + M = OH + M 6.2E16 -0.600 0 0.0 0.0 0.0 - H2O/5/ - - O + O + M = O2 + M 1.9E13 0.000 -1788 0.0 0.0 0.0 - N2/1.5/ O2/1.5/ H2O/10/ - - - OH + H + M = H2O + M 4.5E22 -2.000 0 0.0 0.0 0.0 - AR/0.38/ H2/0.73/ H2O/12/ - -// C1 - - //CH2 + M = CH + H + M 5.6E15 0.000 89000 0.0 0.0 0.0 - //CH2 + M = C + H2 + M 5.8E12 0.500 68500 0.0 0.0 0.0 - - - CH2(S) + M = CH2 + M 1.0E13 0.000 0 0.0 0.0 0.0 - N2/0/ H2O/0/ AR/0/ H/0/ - -// ***************************************************************************** -// PLOG Reactions: CO/CO2 subset * -// ***************************************************************************** - -// (0.001-2000 bar, 300 CH2O + OH 2.4E12 -0.925 1567 0.0 0.0 0.0 -// 10 atm -//CH2OOH => CH2O + OH 2.5E13 -0.927 1579 0.0 0.0 0.0 -// 100 atm -//CH2OOH => CH2O + OH 7.0E14 -1.064 1744 0.0 0.0 0.0 -// However, if it did exist, it would look something like this in PLOG form: -// // High-P limit rate is Garborg's 100 atm rate -// CH2OOH => CH2O + OH 7.0E14 -1.064 1744 0.0 0.0 0.0 -// PLOG / 1 2.4E12 -0.925 1567 / -// PLOG / 10 2.5E13 -0.927 1579 / -// PLOG / 100 7.0E14 -1.064 1744 / - -// ***************************************************************************** -// PLOG Reactions: C2 subset * -// ***************************************************************************** - - - -// JIM/GLA08 fit to SEN/MIL06 60 atm,600-900K -// C2H4+OH=CH3+CH2O 3.3E11 0.000 9079 -// High-P limit rate is Garborg's 100 atm rate -C2H4 + OH = CH3 + CH2O 2.8E13 -0.500 11455 0.0 0.0 0.0 - PLOG / 1 1.8E06 1.680 2061 / - PLOG / 10 2.4E09 0.560 6007 / - PLOG / 100 2.8E13 -0.500 11455 / - -// JIM/GLA08 fit to SEN/MIL06 60 atm,600-900K -// C2H4+OH=CH3CHO+H 1.4E33 -6.114 24907 -// High-P limit rate is Garborg's 100 atm rate -C2H4 + OH = CH3CHO + H 6.8E09 0.810 13867 0.0 0.0 0.0 - PLOG / 1 2.4E-2 3.910 1723 / - PLOG / 10 8.2E08 1.010 10507 / - PLOG / 100 6.8E09 0.810 13867 / - -// JIM/GLA08 fit to SEN/MIL06 60 atm,600-900K -// C2H4+OH=CH2CHOH+H 1.7E13 0.000 11527 -// High-P limit rate is Garborg's 100 atm rate -C2H4 + OH = CH2CHOH + H 8.5E10 0.750 11491 0.0 0.0 0.0 - PLOG / 1 3.2E05 2.190 5256 / - PLOG / 10 1.9E08 1.430 7829 / - PLOG / 100 8.5E10 0.750 11491 / - -// High-P limit rate is Garborg's 100 atm rate -C2H4 + OH = CH2CH2OH 6.0E37 -7.440 14269 0.0 0.0 0.0 - PLOG / 1 6.0E37 -8.140 8043 / - PLOG / 10 6.0E37 -7.770 10736 / - PLOG / 100 6.0E37 -7.440 14269 / -DUPLICATE - -// High-P limit rate is Garborg's 100 atm rate -C2H4 + OH = CH2CH2OH 2.8E19 -2.410 1011 0.0 0.0 0.0 - PLOG / 1 7.3E23 -6.910 2855 / - PLOG / 10 3.0E26 -4.870 2297 / - PLOG / 100 2.8E19 -2.410 1011 / -DUPLICATE -// High-P limit rate is Garborg's 100 atm rate -C2H2 + OH = CH3 + CO 8.3E05 1.770 4697 0.0 0.0 0.0 - PLOG / 1 1.3E09 0.730 2579 / - PLOG / 10 4.3E08 0.920 3736 / - PLOG / 100 8.3E05 1.770 4697 / - - -// High-P limit rate is Garborg's 100 atm rate -C2H2 + OH = HCCOH + H 7.3E06 1.890 13603 0.0 0.0 0.0 - PLOG / 1 2.4E06 2.000 12713 / - PLOG / 10 3.2E06 1.970 12810 / - PLOG / 100 7.3E06 1.890 13603 / - -// High-P limit rate is Garborg's >>100 atm rate -// 1000 atm rate is Glarborg's ">>100 atm" rate -C2H2 + OH = CHCHOH 1.1E08 1.340 332 0.0 0.0 0.0 - PLOG / 1 1.9E44 -11.380 6299 / - PLOG / 10 1.5E24 -4.060 3261 / - PLOG / 100 6.2E20 -2.800 2831 / - PLOG / 1000 1.1E08 1.340 332 / -DUPLICATE - -// High-P limit rate is Garborg's >>100 atm rate -// 1000 atm rate is Glarborg's ">>100 atm" rate -C2H2 + OH = CHCHOH 6.0E07 1.620 240 0.0 0.0 0.0 - PLOG / 1 3.5E31 -6.200 6635 / - PLOG / 10 4.5E31 -5.920 8761 / - PLOG / 100 1.6E29 -4.910 9734 / - PLOG / 1000 6.0E07 1.620 240 / -DUPLICATE - -// High-P limit rate is Garborg's 100 atm rate -C2H2 + OH = CH2CO + H 1.5E04 2.450 4477 0.0 0.0 0.0 - PLOG / 1 7.5E06 1.550 2106 / - PLOG / 10 5.1E06 1.650 3400 / - PLOG / 100 1.5E04 2.450 4477 / - - // High-P limit rate is Garborg's 100 atm rate -CHCHOH = HCCOH + H 5.5E29 -5.057 52377 0.0 0.0 0.0 - PLOG / 1 1.1E31 -6.153 51383 / - PLOG / 10 1.5E32 -6.168 52239 / - PLOG / 100 5.5E29 -5.057 52377 / - - // High-P limit rate is Garborg's high-PL rate -CH2CHO = CH2CO + H 1.4E15 -0.150 45606 0.0 0.0 0.0 - PLOG / 0.01 2.4E25 -4.800 43424 / - PLOG / 0.1 2.4E30 -5.860 46114 / - PLOG / 1 1.3E34 -6.570 49454 / - PLOG / 10 3.5E36 -6.920 52979 / - PLOG / 100 1.2E36 -6.480 55171 / - -// High-P limit rate is Garborg's high-PL rate -CH2CHO = CH3 + CO 2.9E12 0.290 40326 0.0 0.0 0.0 - PLOG / 0.01 1.2E30 -6.070 41332 / - PLOG / 0.1 6.4E32 -6.570 44282 / - PLOG / 1 6.5E34 -6.870 47191 / - PLOG / 10 2.2E35 -6.760 49548 / - PLOG / 100 2.2E33 -5.970 50448 / - - // High-P limit rate is Garborg's 100 atm rate -CH2CHO + O2 = CH2O + CO + OH 1.5E-10 6.690 4868 0.0 0.0 0.0 - PLOG / 1 5.7E17 -1.757 11067 / - PLOG / 10 1.1E14 -0.610 11422 / - PLOG / 100 1.5E-10 6.690 4868 / - -// High-P limit rate is Garborg's high-PL rate -CH3CO = CH3 + CO 1.1E12 0.630 16895 0.0 0.0 0.0 - PLOG / 0.01 6.9E14 -1.970 14584 / - PLOG / 0.1 2.0E16 -2.090 15197 / - PLOG / 1 6.5E18 -2.520 16436 / - PLOG / 10 8.2E19 -2.550 17263 / - PLOG / 100 1.3E20 -2.320 18012 / - -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b],high P limit) -// High-P limit rate is Garborg's high-PL rate -CH3CH2OOH = CH3CH2O + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - PLOG / 1 2.0E35 -6.700 47450 / - PLOG / 10 1.1E28 -4.150 46190 / - PLOG / 50 2.8E26 -3.500 46340 / - -// High-P limit rate is Garborg's 100 atm rate -CH3CHO + OH = CH3CHO + OH 5.8E14 -1.012 1068 0.0 0.0 0.0 - PLOG / 1 3.5E12 -0.947 979 / - PLOG / 10 3.5E13 -0.947 980 / - PLOG / 100 5.8E14 -1.012 1068 / - -// est = CH3OOH = CH3O + OH,high P limit) -// High-P limit rate is Garborg's high-PL rate -CH2CHOOH = CH2CHO + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - PLOG / 1 2.0E35 -6.700 47450 / - PLOG / 10 1.1E28 -4.150 46190 / - PLOG / 50 2.8E26 -3.500 46340 / \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C2/reactions.full b/output/RMG_database/kinetics_libraries/Glarborg/C2/reactions.full deleted file mode 100644 index d8371b47af..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C2/reactions.full +++ /dev/null @@ -1,990 +0,0 @@ -// CFG - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - - - -// Glarborg, -// -// ***************************************************************************** -// H2/O2 subset * -// ***************************************************************************** -// - - H + O2 = O + OH 3.6E15 -0.410 16600 0.0 0.0 0.0 - - - H + H + H2 = H2 + H2 1.0E17 -0.600 0 0.0 0.0 0.0 - H + H + H2O = H2 + H2O 1.0E19 -1.000 0 0.0 0.0 0.0 - - O + H2 = OH + H 3.8E12 0.000 7948 0.0 0.0 0.0 - // DUPLICATE - O + H2 = OH + H 8.8E14 0.000 19175 0.0 0.0 0.0 - // DUPLICATE - - OH + OH = O + H2O 4.3E03 2.700 -1822 0.0 0.0 0.0 - - - OH + H2 = H + H2O 2.1E08 1.520 3449 0.0 0.0 0.0 - H2 + O2 = HO2 + H 7.4E05 2.433 53502 0.0 0.0 0.0 - HO2 + H = OH + OH 8.4E13 0.000 400 0.0 0.0 0.0 - HO2 + H = H2O + O 1.4E12 0.000 0 0.0 0.0 0.0 - HO2 + O = OH + O2 1.6E13 0.000 -445 0.0 0.0 0.0 - - HO2 + OH = H2O + O2 3.6E21 -2.100 9000 0.0 0.0 0.0 - // DUPLICATE - HO2 + OH = H2O + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - // DUPLICATE -// HO2 + OH = H2O + O2 -2.2E96 -24.000 49000 0.0 0.0 0.0 - // DUPLICATE - - HO2 + HO2 = H2O2 + O2 1.9E11 0.000 -1408 0.0 0.0 0.0 - // DUPLICATE - HO2 + HO2 = H2O2 + O2 1.0E14 0.000 11034 0.0 0.0 0.0 - // DUPLICATE - - H2O2 + H = H2O + OH 1.0E13 0.000 3580 0.0 0.0 0.0 - H2O2 + H = HO2 + H2 1.7E12 0.000 3760 0.0 0.0 0.0 - H2O2 + O = HO2 + OH 9.6E06 2.000 3970 0.0 0.0 0.0 - - H2O2 + OH = H2O + HO2 1.9E12 0.000 427 0.0 0.0 0.0 - // DUPLICATE - H2O2 + OH = H2O + HO2 1.6E18 0.000 29410 0.0 0.0 0.0 - // DUPLICATE - -// -// ***************************************************************************** -// CO/CO2 subset * -// ***************************************************************************** -// - - - CO + O2 = CO2 + O 4.7E12 0.000 60500 0.0 0.0 0.0 - CO + HO2 = CO2 + OH 1.6E05 2.180 17943 0.0 0.0 0.0 -// (0.001 bar, 300 CH2O + OH 2.4E12 -0.925 1567 0.0 0.0 0.0 -// 10 atm -CH2OOH => CH2O + OH 2.5E13 -0.927 1579 0.0 0.0 0.0 -// 100 atm -//CH2OOH => CH2O + OH 7.0E14 -1.064 1744 0.0 0.0 0.0 - - - -// -// ***************************************************************************** -// C2 subset * -// ***************************************************************************** -// - - C2H6 + H = C2H5 + H2 9.8E13 0.000 9220 0.0 0.0 0.0 - C2H6 + O = C2H5 + OH 1.1E-07 6.500 274 0.0 0.0 0.0 - C2H6 + OH = C2H5 + H2O 9.2E06 2.000 990 0.0 0.0 0.0 - C2H6 + HO2 = C2H5 + H2O2 1.1E05 2.500 16850 0.0 0.0 0.0 - C2H6 + O2 = C2H5 + HO2 7.3E05 2.500 49160 0.0 0.0 0.0 - - C2H6 + CH3 = C2H5 + CH4 5.6E10 0.000 9418 0.0 0.0 0.0 - // DUPLICATE - C2H6 + CH3 = C2H5 + CH4 8.4E14 0.000 22250 0.0 0.0 0.0 - // DUPLICATE - - C2H6 + CH2(S) = C2H5 + CH3 1.2E14 0.000 0 0.0 0.0 0.0 - - C2H5 + O = CH3 + CH2O 4.2E13 0.000 0 0.0 0.0 0.0 - C2H5 + O = CH3CHO + H 5.3E13 0.000 0 0.0 0.0 0.0 - C2H5 + O = C2H4 + OH 3.1E13 0.000 0 0.0 0.0 0.0 - C2H5 + OH = C2H4 + H2O 2.4E13 0.000 0 0.0 0.0 0.0 - C2H5 + HO2 = CH3CH2O + OH 3.1E13 0.000 0 0.0 0.0 0.0 - - C2H5 + O2 = C2H4 + HO2 1.4E07 1.090 -1975 0.0 0.0 0.0 - - C2H5 + CH2O = C2H6 + HCO 5.5E03 2.810 5860 0.0 0.0 0.0 - C2H5 + HCO = C2H6 + CO 4.3E13 0.000 0 0.0 0.0 0.0 -//C2H5 + HCO = C2H6 + CO 1.2E14 0.000 0 0.0 0.0 0.0 - C2H5 + CH3 = C2H4 + CH4 9.0E11 0.000 0 0.0 0.0 0.0 - C2H5 + C2H5 = C2H6 + C2H4 1.5E12 0.000 0 0.0 0.0 0.0 - - C2H4 + H = C2H3 + H2 2.4E02 3.620 11266 0.0 0.0 0.0 -// CH4 + CH = C2H4 + H 3.0E13 0.000 -400 0.0 0.0 0.0 - CH3 + CH2 = C2H4 + H 4.2E13 0.000 0 0.0 0.0 0.0 - CH3 + CH2(S) = C2H4 + H 2.0E13 0.000 0 0.0 0.0 0.0 - - C2H4 + O = CH3 + HCO 3.9E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - C2H4 + O = CH3 + HCO 6.2E13 0.000 6855 0.0 0.0 0.0 - // DUPLICATE - - C2H4 + O = CH2CHO + H 1.7E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - C2H4 + O = CH2CHO + H 2.8E13 0.000 6855 0.0 0.0 0.0 - // DUPLICATE - -// RMG doesn't like this rate; I replaced it with NIST -// C2H4 + OH = C2H3 + H2O 1.3E-1 4.200 -860 0.0 0.0 0.0 -C2H4 + OH = C2H3 + H2O 5.4E07 1.8 4166 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH3 + CH2O 1.8E06 1.680 2061 0.0 0.0 0.0 -// 10 atm -C2H4 + OH = CH3 + CH2O 2.4E09 0.560 6007 0.0 0.0 0.0 -// fit to 60 atm,600-900K -// C2H4 + OH = CH3 + CH2O 3.3E11 0.000 9079 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH3 + CH2O 2.8E13 -0.500 11455 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH3CHO + H 2.4E-2 3.910 1723 0.0 0.0 0.0 -// 10 atm -C2H4 + OH = CH3CHO + H 8.2E08 1.010 10507 0.0 0.0 0.0 -// fit to 60 atm,600-900K -// C2H4 + OH = CH3CHO + H 1.4E33 -6.114 24907 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH3CHO + H 6.8E09 0.810 13867 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH2CHOH + H 3.2E05 2.190 5256 0.0 0.0 0.0 -// 10 atm -C2H4 + OH = CH2CHOH + H 1.9E08 1.430 7829 0.0 0.0 0.0 -// fit to 60 atm,600-900K -// C2H4 + OH = CH2CHOH + H 1.7E13 0.000 11527 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH2CHOH + H 8.5E10 0.750 11491 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH2CH2OH 6.0E37 -8.140 8043 0.0 0.0 0.0 -// // DUPLICATE -//C2H4 + OH = CH2CH2OH 7.3E23 -6.910 2855 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H4 + OH = CH2CH2OH 6.0E37 -7.770 10736 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H4 + OH = CH2CH2OH 3.0E26 -4.870 2297 0.0 0.0 0.0 -// // DUPLICATE -//C2H4 + OH = CH2CH2OH 6.0E37 -7.440 14269 0.0 0.0 0.0 -// // DUPLICATE -// fit to 60 atm,600-900K -// C2H4 + OH = CH2CH2OH 2.4E20 -2.399 3294 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH2CH2OH 2.8E19 -2.410 1011 0.0 0.0 0.0 -// // DUPLICATE - - C2H4 + HO2 = cC2H4O + OH 2.2E12 0.000 17200 0.0 0.0 0.0 - C2H4 + O2 = C2H3 + HO2 7.1E13 0.000 60010 0.0 0.0 0.0 - C2H4 + CH3 = C2H3 + CH4 6.0E07 1.560 16630 0.0 0.0 0.0 - - C2H3 + H = C2H2 + H2 4.5E13 0.000 0 0.0 0.0 0.0 -// CH3 + CH = C2H3 + H 3.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + O = CH2CO + H 3.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + OH = C2H2 + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - - C2H3 + HO2 = CH2CHO + OH 3.0E13 0.000 0 0.0 0.0 0.0 -// PM 60 bar -// RMG dislikes; cfg replaced w mclin -// C2H3 + O2 = CH2CHOO 1.1E12 0.000 -1680 0.0 0.0 0.0 -// C.F.Goldsmith replaced the above rate expression from Glarborg with the following rate expression from -// A. M. Mebel, E. W. G. Diau, M. C. Lin, and K. Morokuma J. Am. Chem. Soc. 1996, 118, 9759-9771 http://dx.doi.org/10.1021/ja961476e - C2H3 + O2 = CH2CHOO 3.0E36 -8.0 5680 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2O + HCO 6.3E12 0.000 3130 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2CHO + O 4.8E12 0.000 4800 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = C2H2 + HO2 7.6E11 0.000 7930 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH3O + CO 2.8E11 0.000 3130 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH3 + CO2 1.3E10 0.000 3130 0.0 0.0 0.0 - - - C2H3 + CH2O = C2H4 + HCO 5.4E03 2.810 5860 0.0 0.0 0.0 - C2H3 + HCO = C2H4 + CO 9.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + CH3 = C2H2 + CH4 2.1E13 0.000 0 0.0 0.0 0.0 -// C2H3 + CH = CH2 + C2H2 5.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + C2H3 = C2H4 + C2H2 1.5E13 0.000 0 0.0 0.0 0.0 - C2H3 + C2H = C2H2 + C2H2 3.0E13 0.000 0 0.0 0.0 0.0 - -// CH3 + C = C2H2 + H 5.0E13 0.000 0 0.0 0.0 0.0 -// CH2 + CH = C2H2 + H 4.0E13 0.000 0 0.0 0.0 0.0 - CH2 + CH2 = C2H2 + H + H 3.2E13 0.000 0 0.0 0.0 0.0 -//CH2 + CH2 = C2H2 + H + H 4.0E13 0.000 0 0.0 0.0 0.0 - - C2H2 + O = HCCO + H 1.4E07 2.000 1900 0.0 0.0 0.0 - C2H2 + O = CH2 + CO 6.1E06 2.000 1900 0.0 0.0 0.0 - C2H2 + O = C2H + OH 3.2E15 -0.600 15000 0.0 0.0 0.0 - -// 1 atm -//C2H2 + OH = CH3 + CO 1.3E09 0.730 2579 0.0 0.0 0.0 -// 10 atm -C2H2 + OH = CH3 + CO 4.3E08 0.920 3736 0.0 0.0 0.0 -// 100 atm - C2H2 + OH = CH3 + CO 8.3E05 1.770 4697 0.0 0.0 0.0 - -// 1 atm -//C2H2 + OH = HCCOH + H 2.4E06 2.000 12713 0.0 0.0 0.0 -// 10 atm -C2H2 + OH = HCCOH + H 3.2E06 1.970 12810 0.0 0.0 0.0 -// 100 atm - C2H2 + OH = HCCOH + H 7.3E06 1.890 13603 0.0 0.0 0.0 - -// 1 atm -//C2H2 + OH = CHCHOH 1.9E44 -11.380 6299 0.0 0.0 0.0 -// // DUPLICATE -// 1 atm -//C2H2 + OH = CHCHOH 3.5E31 -6.200 6635 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H2 + OH = CHCHOH 1.5E24 -4.060 3261 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H2 + OH = CHCHOH 4.5E31 -5.920 8761 0.0 0.0 0.0 -// // DUPLICATE -// 100 atm -// C2H2 + OH = CHCHOH 6.2E20 -2.800 2831 0.0 0.0 0.0 - // DUPLICATE -// 100 atm -// C2H2 + OH = CHCHOH 1.6E29 -4.910 9734 0.0 0.0 0.0 - // DUPLICATE -// >>100 atm -//C2H2 + OH = CHCHOH 1.1E08 1.340 332 0.0 0.0 0.0 -// // DUPLICATE -// >>100 atm -//C2H2 + OH = CHCHOH 6.0E07 1.620 240 0.0 0.0 0.0 -// // DUPLICATE - -// 1 atm -//C2H2 + OH = CH2CO + H 7.5E06 1.550 2106 0.0 0.0 0.0 -// 10 atm -C2H2 + OH = CH2CO + H 5.1E06 1.650 3400 0.0 0.0 0.0 -// 100 atm - C2H2 + OH = CH2CO + H 1.5E04 2.450 4477 0.0 0.0 0.0 - - C2H2 + HO2 = CH2O + HCO 3.0E12 0.000 10000 0.0 0.0 0.0 - C2H2 + HO2 = CH2CHO + O 3.0E12 0.000 10000 0.0 0.0 0.0 - C2H2 + O2 = HCO + HCO 7.0E07 1.800 30600 0.0 0.0 0.0 - C2H2 + CH2(S) = C2H2 + CH2 4.0E13 0.000 0 0.0 0.0 0.0 - - H2CC = C2H2 1.0E07 0.000 0 0.0 0.0 0.0 - H2CC + H = C2H2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - H2CC + OH = CH2CO + H 2.0E13 0.000 0 0.0 0.0 0.0 - H2CC + O2 = CH2 + CO2 1.0E13 0.000 0 0.0 0.0 0.0 - - C2 + H2 = C2H + H 4.0E05 2.40 1000 0.0 0.0 0.0 -// CH2 + C = C2H + H 5.0E13 0.000 0 0.0 0.0 0.0 -// C2H + O = CH + CO 5.0E13 0.000 0 0.0 0.0 0.0 - C2H + OH = HCCO + H 2.0E13 0.000 0 0.0 0.0 0.0 - C2H + OH = C2 + H2O 4.0E07 2.000 8000 0.0 0.0 0.0 - C2H + H2 = C2H2 + H 4.1E05 2.390 864 0.0 0.0 0.0 - C2H + O2 = CO + CO + H 4.7E13 -0.16 0 0.0 0.0 0.0 - C2H + CH4 = CH3 + C2H2 7.2E12 0.000 976 0.0 0.0 0.0 - - -// C2 + O = C + CO 1.0E14 0.000 0 0.0 0.0 0.0 - C2 + OH = C2O + H 5.0E13 0.000 0 0.0 0.0 0.0 - C2 + O2 = CO + CO 9.0E12 0.000 980 0.0 0.0 0.0 - - - CH3CH2OH + H = CH3CHOH + H2 2.6E07 1.650 2827 0.0 0.0 0.0 - CH3CH2OH + H = CH2CH2OH + H2 1.2E07 1.800 5098 0.0 0.0 0.0 - CH3CH2OH + H = CH3CH2O + H2 1.5E07 1.650 3038 0.0 0.0 0.0 - CH3CH2OH + O = CH3CHOH + OH 1.9E07 1.850 1824 0.0 0.0 0.0 - CH3CH2OH + O = CH2CH2OH + OH 9.4E07 1.700 5459 0.0 0.0 0.0 - CH3CH2OH + O = CH3CH2O + OH 1.6E07 2.000 4448 0.0 0.0 0.0 - CH3CH2OH + OH = CH3CHOH + H2O 4.6E11 0.150 0 0.0 0.0 0.0 - CH3CH2OH + OH = CH2CH2OH + H2O 1.7E11 0.270 600 0.0 0.0 0.0 - CH3CH2OH + OH = CH3CH2O + H2O 7.5E11 0.300 1634 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH3CHOH + H2O2 8.2E03 2.550 10750 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH2CH2OH + H2O2 1.2E04 2.550 15750 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH3CH2O + H2O2 2.5E12 0.000 24000 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH3CHOH + CH4 7.3E02 2.990 7948 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH2CH2OH + CH4 2.2E02 3.180 9622 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH3CH2O + CH4 1.5E02 2.990 7649 0.0 0.0 0.0 - - CH3CHOH + O = CH3CHO + OH 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHOH + H = CH2OH + CH3 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CHOH + H = C2H4 + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CHOH + OH = CH3CHO + H2O 5.0E12 0.000 0 0.0 0.0 0.0 - CH3CHOH + HO2 = CH3CHO + OH + OH 4.0E13 0.000 0 0.0 0.0 0.0 - - CH3CHOH + O2 = CH3CHO + HO2 8.4E15 -1.200 0 0.0 0.0 0.0 - // DUPLICATE - CH3CHOH + O2 = CH3CHO + HO2 4.8E14 0.000 5017 0.0 0.0 0.0 - // DUPLICATE - - CH2CH2OH = CH2CHOH + H 2.2E05 2.840 32920 0.0 0.0 0.0 - CH3CH2O = CH2CH2OH 2.8E-29 11.900 4450 0.0 0.0 0.0 - CH2CH2OH + H = CH3 + CH2OH 1.0E14 0.000 0 0.0 0.0 0.0 - - CH2CH2OH + O = CH2O + CH2OH 4.0E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + O = HOCH2CHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + OH = CH2CHOH + H2O 2.4E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + OH = HOCH2CHOH 3.3E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + HO2 = CH3CH2OH + O2 1.0E12 0.000 0 0.0 0.0 0.0 - CH2CH2OH + HO2 => CH2OH + CH2O + OH 3.0E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + HO2 = HOCH2CH2O + OH 3.0E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + O2 = CH2CHOH + HO2 1.4E07 1.090 -1975 0.0 0.0 0.0 - - CH3CH2O = CH3CHO + H 1.3E13 0.000 20060 0.0 0.0 0.0 - CH3CH2O + H = CH3CHO + H2 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CH2O + OH = CH3CHO + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CH2O + O2 = CH3CHO + HO2 1.5E10 0.000 645 0.0 0.0 0.0 - CH3CH2O + CO = C2H5 + CO2 9.5E25 -4.930 9080 0.0 0.0 0.0 - - - CH3CHO + H = CH3CO + H2 4.7E13 -0.350 3000 0.0 0.0 0.0 - CH3CHO + H = CH2CHO + H2 1.9E12 0.400 5359 0.0 0.0 0.0 - CH3CHO + O = CH3CO + OH 1.8E18 -1.900 2975 0.0 0.0 0.0 - CH3CHO + O = CH2CHO + OH 3.7E13 -0.200 3556 0.0 0.0 0.0 - CH3CHO + OH = CH3CO + H2O 2.4E11 0.300 -1000 0.0 0.0 0.0 - CH3CHO + OH = CH2CHO + H2O 3.0E13 -0.600 800 0.0 0.0 0.0 - CH3CHO + HO2 = CH3CO + H2O2 2.4E19 -2.200 14030 0.0 0.0 0.0 - CH3CHO + HO2 = CH2CHO + H2O2 2.3E11 0.400 14864 0.0 0.0 0.0 - CH3CHO + O2 = CH3CO + HO2 1.2E05 2.500 37554 0.0 0.0 0.0 - CH3CHO + CH3 = CH3CO + CH4 3.9E-07 5.800 2200 0.0 0.0 0.0 - CH3CHO + CH3 = CH2CHO + CH4 2.5E01 3.150 5727 0.0 0.0 0.0 - - cC2H4O = CH2CHO + H 1.8E13 0.200 71780 0.0 0.0 0.0 - cC2H4O = CH3 + HCO 5.6E13 0.400 61880 0.0 0.0 0.0 - cC2H4O = CH3CO + H 2.4E13 0.250 65310 0.0 0.0 0.0 - cC2H4O = CH2CO + H2 3.6E12 -0.200 63030 0.0 0.0 0.0 - cC2H4O = CH3CHO 3.2E12 -0.750 46424 0.0 0.0 0.0 - cC2H4O = C2H2 + H2O 7.6E12 0.060 69530 0.0 0.0 0.0 -//cC2H4O + H = CH3CHO + H 5.6E13 0.000 10950 0.0 0.0 0.0 - cC2H4O + H = cC2H3O + H2 2.0E13 0.000 8310 0.0 0.0 0.0 - cC2H4O + H = C2H3 + H2O 5.0E09 0.000 5000 0.0 0.0 0.0 - cC2H4O + H = C2H4 + OH 9.5E10 0.000 5000 0.0 0.0 0.0 - cC2H4O + O = cC2H3O + OH 1.9E12 0.000 5250 0.0 0.0 0.0 - cC2H4O + OH = cC2H3O + H2O 1.8E13 0.000 3610 0.0 0.0 0.0 - cC2H4O + HO2 = cC2H3O + H2O2 4.0E12 0.000 17000 0.0 0.0 0.0 - cC2H4O + O2 = cC2H3O + HO2 4.0E13 0.000 61500 0.0 0.0 0.0 - cC2H4O + CH3 = cC2H3O + CH4 1.1E12 0.000 11830 0.0 0.0 0.0 - - CH2CHOH + H = CHCHOH + H2 2.4E02 3.630 11266 0.0 0.0 0.0 - CH2CHOH + H = CH2CHO + H2 1.5E07 1.700 3000 0.0 0.0 0.0 - - CH2CHOH + O = CH2OH + HCO 3.9E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - CH2CHOH + O = CH2OH + HCO 6.2E13 0.000 6855 0.0 0.0 0.0 - // DUPLICATE - - CH2CHOH + O = CH2CHO + OH 1.6E07 2.000 4400 0.0 0.0 0.0 - CH2CHOH + OH = CHCHOH + H2O 1.3E-1 4.200 -860 0.0 0.0 0.0 - CH2CHOH + OH = CH2CHO + H2O 7.5E11 0.300 1600 0.0 0.0 0.0 - CH2CHOH + O2 => CH2O + HCO + OH 3.5E07 1.800 39000 0.0 0.0 0.0 - -// 1 atm -// CHCHOH = HCCOH + H 1.1E31 -6.153 51383 0.0 0.0 0.0 -// 10 atm -CHCHOH = HCCOH + H 1.5E32 -6.168 52239 0.0 0.0 0.0 -// 100 atm -//CHCHOH = HCCOH + H 5.5E29 -5.057 52377 0.0 0.0 0.0 - - CHCHOH + H = CH2CHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CHCHOH + O = OCHCHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CHCHOH + O2 = HCCOH + HO2 1.4E02 3.400 3700 0.0 0.0 0.0 -//#CHCHOH + O2 = OCHCHO + OH 2.5E12 0.000 0 0.0 0.0 0.0 - - cC2H3O = CH2CHO 8.7E31 -6.900 14994 0.0 0.0 0.0 - cC2H3O = CH2CO + H 5.0E13 0.000 14863 0.0 0.0 0.0 - cC2H3O = CH3 + CO 7.1E12 0.000 14280 0.0 0.0 0.0 - - -// ( 0.01 bar) -//CH2CHO = CH2CO + H 2.4E25 -4.800 43424 0.0 0.0 0.0 -// ( 0.1 bar) -//CH2CHO = CH2CO + H 2.4E30 -5.860 46114 0.0 0.0 0.0 -// ( 1 bar) -//CH2CHO = CH2CO + H 1.3E34 -6.570 49454 0.0 0.0 0.0 -// ( 10 bar) -CH2CHO = CH2CO + H 3.5E36 -6.920 52979 0.0 0.0 0.0 -// (100 bar) -// CH2CHO = CH2CO + H 1.2E36 -6.480 55171 0.0 0.0 0.0 -// (high-PL) -//CH2CHO = CH2CO + H 1.4E15 -0.150 45606 0.0 0.0 0.0 - -// ( 0.01 bar) -//CH2CHO = CH3 + CO 1.2E30 -6.070 41332 0.0 0.0 0.0 -// ( 0.1 bar) -//CH2CHO = CH3 + CO 6.4E32 -6.570 44282 0.0 0.0 0.0 -// ( 1 bar) -//CH2CHO = CH3 + CO 6.5E34 -6.870 47191 0.0 0.0 0.0 -// ( 10 bar) -CH2CHO = CH3 + CO 2.2E35 -6.760 49548 0.0 0.0 0.0 -// (100 bar) -// CH2CHO = CH3 + CO 2.2E33 -5.970 50448 0.0 0.0 0.0 -// (high-PL) -//CH2CHO = CH3 + CO 2.9E12 0.290 40326 0.0 0.0 0.0 - - CH2CHO + H = CH3 + HCO 1.0E14 0.000 0 0.0 0.0 0.0 - CH2CHO + H = CH3CO + H 3.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + H = CH2CO + H2 2.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + O = CH2CO + OH 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + OH = CH2CO + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + OH = CH2OH + HCO 1.0E13 0.000 0 0.0 0.0 0.0 - -// 1 atm -//CH2CHO + O2 = CH2O + CO + OH 5.7E17 -1.757 11067 0.0 0.0 0.0 -// 10 atm -CH2CHO + O2 = CH2O + CO + OH 1.1E14 -0.610 11422 0.0 0.0 0.0 -// 100 atm -// CH2CHO + O2 = CH2O + CO + OH 1.5E-10 6.690 4868 0.0 0.0 0.0 - -//#CH2CHO + O2 = OCHCHO + OH 2.2E11 0.000 1500 0.0 0.0 0.0 - CH2CHO + CH3 = C2H5 + CO + H 4.9E14 -0.500 0 0.0 0.0 0.0 - CH2CHO + HO2 = CH2O + HCO + OH 7.0E12 -0.500 0 0.0 0.0 0.0 - CH2CHO + HO2 = CH3CHO + O2 3.0E12 -0.500 0 0.0 0.0 0.0 - CH2CHO + CH2 = C2H4 + HCO 5.0E13 0.000 0 0.0 0.0 0.0 -// CH2CHO + CH = C2H3 + HCO 1.0E14 0.000 0 0.0 0.0 0.0 - -// ( 0.01 bar) -//CH3CO = CH3 + CO 6.9E14 -1.970 14584 0.0 0.0 0.0 -// ( 0.1 bar) -//CH3CO = CH3 + CO 2.0E16 -2.090 15197 0.0 0.0 0.0 -// ( 1 bar) -//CH3CO = CH3 + CO 6.5E18 -2.520 16436 0.0 0.0 0.0 -// ( 10 bar) -CH3CO = CH3 + CO 8.2E19 -2.550 17263 0.0 0.0 0.0 -// (100 bar) -// CH3CO = CH3 + CO 1.3E20 -2.320 18012 0.0 0.0 0.0 -// (high-PL) -//CH3CO = CH3 + CO 1.1E12 0.630 16895 0.0 0.0 0.0 - - CH2CO + H = CH3CO 2.3E08 1.610 2627 0.0 0.0 0.0 - CH3CO + H = CH3 + HCO 2.1E13 0.000 0 0.0 0.0 0.0 - CH3CO + H = CH2CO + H2 1.2E13 0.000 0 0.0 0.0 0.0 - CH3CO + O = CH3 + CO2 1.6E14 0.000 0 0.0 0.0 0.0 - CH3CO + O = CH2CO + OH 5.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + OH = CH2CO + H2O 1.2E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3OO = CH3 + CO2 + CH3O 2.4E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3 = C2H6 + CO 3.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3 = CH2CO + CH4 5.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + O2 = CH2O + CO + OH 1.9E12 0.000 0 0.0 0.0 0.0 - - CH2CO + H = CH3 + CO 3.3E10 0.851 2840 0.0 0.0 0.0 - CH2CO + H = HCCO + H2 3.0E07 2.000 10000 0.0 0.0 0.0 -// CH + CH2O = CH2CO + H 9.5E13 0.000 -517 0.0 0.0 0.0 - CH2CO + O = CO2 + CH2 1.8E12 0.000 1350 0.0 0.0 0.0 - CH2CO + O = HCCO + OH 2.0E07 2.000 10000 0.0 0.0 0.0 - CH2CO + OH = CH2OH + CO 1.0E12 0.000 -1013 0.0 0.0 0.0 - CH2CO + OH = CH3 + CO2 6.7E11 0.000 -1013 0.0 0.0 0.0 - CH2CO + OH = HCCO + H2O 1.0E07 2.000 3000 0.0 0.0 0.0 - CH2CO + CH2(S) = C2H4 + CO 1.6E14 0.000 0 0.0 0.0 0.0 - - HCCOH + H = HCCO + H2 3.0E07 2.000 1000 0.0 0.0 0.0 - HCCOH + O = HCCO + OH 2.0E07 2.000 1900 0.0 0.0 0.0 - HCCOH + OH = HCCO + H2O 1.0E07 2.000 1000 0.0 0.0 0.0 - - - HCCO + H = CH2(S) + CO 1.5E14 0.000 0 0.0 0.0 0.0 - HCCO + O = CO + CO + H 1.0E14 0.000 0 0.0 0.0 0.0 - HCCO + OH = HCO + HCO 1.0E13 0.000 0 0.0 0.0 0.0 - HCCO + OH = C2O + H2O 6.0E13 0.000 0 0.0 0.0 0.0 - HCCO + O2 = CO2 + CO + H 4.9E12 -0.142 1150 0.0 0.0 0.0 - HCCO + O2 = CO + CO + OH 1.6E11 -0.020 1020 0.0 0.0 0.0 - HCCO + O2 = HCO + CO + O 2.2E02 2.690 3540 0.0 0.0 0.0 - HCCO + CH2 = C2H3 + CO 3.0E13 0.000 0 0.0 0.0 0.0 -// HCCO + CH = C2H2 + CO 5.0E13 0.000 0 0.0 0.0 0.0 - HCCO + HCCO = C2H2 + CO + CO 1.0E13 0.000 0 0.0 0.0 0.0 - - - -// C2O + H = CH + CO 1.3E13 0.000 0 0.0 0.0 0.0 - C2O + O = CO + CO 5.2E13 0.000 0 0.0 0.0 0.0 - C2O + OH = CO + CO + H 2.0E13 0.000 0 0.0 0.0 0.0 - C2O + O2 = CO + CO + O 1.0E13 0.000 2600 0.0 0.0 0.0 - C2O + O2 = CO + CO2 1.0E13 0.000 2600 0.0 0.0 0.0 - -// C2O + C = CO + C2 1.0E14 0.000 0 0.0 0.0 0.0 - -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b], 1 bar) -// CH3CH2OOH = CH3CH2O + OH 2.0E35 -6.700 47450 0.0 0.0 0.0 -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b], 10 bar) -CH3CH2OOH = CH3CH2O + OH 1.1E28 -4.150 46190 0.0 0.0 0.0 -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b], 50 bar) -//CH3CH2OOH = CH3CH2O + OH 2.8E26 -3.500 46340 0.0 0.0 0.0 -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b],high P limit) -//CH3CH2OOH = CH3CH2O + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - - CH3CH2OOH + H = CH3CHOOH + H2 6.5E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + H = CH3CH2OO + H2 4.3E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + H = CH3CH2O + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + O = CH3CHOOH + OH 1.6E13 0.000 4750 0.0 0.0 0.0 - CH3CH2OOH + O = CH3CH2OO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH3CH2OOH + OH = CH3CHOOH + H2O 7.2E11 0.000 -258 0.0 0.0 0.0 - CH3CH2OOH + OH = CH3CH2OO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH3CH2OOH + HO2 = CH3CH2OO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - - - CH3CH2OO + H = CH3CH2O + OH 9.6E13 0.000 0 0.0 0.0 0.0 - CH3CH2OO + O = CH3CH2O + O2 1.6E13 0.000 -145 0.0 0.0 0.0 - CH3CH2OO + OH = CH3CH2OH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH3CH2OO + OH = CH3CH2O + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH3CH2OO + HO2 = CH3CH2OOH + O2 4.5E11 0.000 -1391 0.0 0.0 0.0 - CH3CH2OO + CO = CH3CH2O + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH3CH2OO + CH3 = CH3CH2O + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3CH2OO + CH4 = CH3CH2OOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH3CH2OO + CH3OH = CH3CH2OOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH3CH2OO + CH2O = CH3CH2OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH3CH2OO + C2H5 = CH3CH2O + CH3CH2O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3CH2OO + C2H6 = CH3CH2OOH + C2H5 8.6E00 3.760 17200 0.0 0.0 0.0 - CH3CH2OO + CH3CHO = CH3CH2OOH + CH3CO 2.4E19 -2.200 14030 0.0 0.0 0.0 - CH3CH2OO + CH3CHO = CH3CH2OOH + CH2CHO 2.3E11 0.400 14864 0.0 0.0 0.0 - CH3CH2OO + CH3CH2OO = CH3CH2O + CH3CH2O + O2 2.9E11 -0.270 408 0.0 0.0 0.0 - CH3CH2OO + CH3CH2OO = CH3CHO + CH3CH2OH + O2 4.3E09 0.000 -850 0.0 0.0 0.0 - -// 1 atm -// CH3CHOOH = CH3CHO + OH 3.5E12 -0.947 979 0.0 0.0 0.0 -// 10 atm -CH3CHOOH = CH3CHO + OH 3.5E13 -0.947 980 0.0 0.0 0.0 -// 100 atm -//CH3CHOOH = CH3CHO + OH 5.8E14 -1.012 1068 0.0 0.0 0.0 - - CH2CH2OOH = cC2H4O + OH 1.3E10 0.720 15380 0.0 0.0 0.0 - CH2CH2OOH = CH3CH2OO 1.2E07 1.040 17980 0.0 0.0 0.0 - CH2CH2OOH = C2H4 + HO2 1.3E11 0.520 16150 0.0 0.0 0.0 - -// est = CH3OOH = CH3O + OH, 1 bar -// CH2CHOOH = CH2CHO + OH 2.0E35 -6.700 47450 0.0 0.0 0.0 -// est = CH3OOH = CH3O + OH, 10 bar) -CH2CHOOH = CH2CHO + OH 1.1E28 -4.150 46190 0.0 0.0 0.0 -// est = CH3OOH = CH3O + OH, 50 bar) -//CH2CHOOH = CH2CHO + OH 2.8E26 -3.500 46340 0.0 0.0 0.0 -// est = CH3OOH = CH3O + OH,high P limit) -//CH2CHOOH = CH2CHO + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - - CH2CHOOH + H = CH2CHOO + H2 4.3E10 0.000 1860 0.0 0.0 0.0 - CH2CHOOH + H = CH2CHO + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH2CHOOH + O = CH2CHOO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH2CHOOH + OH = CH2CHOO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH2CHOOH + HO2 = CH2CHOO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - -// 100 atm - CH2CHOO = C2H2 + HO2 9.6E48 -8.868 110591 0.0 0.0 0.0 -// 100 atm - CH2CHOO = CH2O + HCO 3.1E47 -8.701 111046 0.0 0.0 0.0 -// 60atm, 6-900K fit -// CH2CHOO = CYCOOC. 3.9E09 0.000 22250 0.0 0.0 0.0 -// 100 atm -//CH2CHOO = CYCOOC. 1.1E19 -2.782 26427 0.0 0.0 0.0 - - CH2CHOO + H = CH2CHO + OH 9.6E13 0.000 0 0.0 0.0 0.0 - CH2CHOO + O = CH2CHO + O2 1.6E13 0.000 -145 0.0 0.0 0.0 - CH2CHOO + OH = CH2CHOH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH2CHOO + OH = CH2CHO + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH2CHOO + HO2 = CH2CHOOH + O2 4.5E11 0.000 -1391 0.0 0.0 0.0 - CH2CHOO + CO = CH2CHO + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH2CHOO + CH3 = CH2CHO + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH2CHOO + CH4 = CH2CHOOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH2CHOO + CH3OH = CH2CHOOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH2CHOO + CH2O = CH2CHOOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH2CHOO + C2H6 = CH2CHOOH + C2H5 8.6E00 3.760 17200 0.0 0.0 0.0 - -// 60atm, 6-900K fit -// CYCOOC. = CH2O + HCO 6.1E10 0.000 914 0.0 0.0 0.0 -// meohcys4e (100 atm) -// CYCOOC. = OCHCHO + H 1.6E13 -1.093 3159 0.0 0.0 0.0 - - - - OCHCHO + H = CH2O + HCO 3.0E13 0.000 0 0.0 0.0 0.0 - OCHCHO + OH = HCO + CO + H2O 6.6E12 0.000 0 0.0 0.0 0.0 - -// not sure what this is about! -// HOCH2CH2OO = CH2O + CH2O + OH 9.4E08 0.994 22250 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 = HOCH2CH2OOH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 => HOCH2CH2O + OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 => CH2O + CH2OH + OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -// HOCH2CH2OO + HO2 => CH2OOH + CH2OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + CH2O => HOCH2CH2OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -//HOCH2CH2OO + CH2O => CH2O + CH2OH + OH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -// HOCH2CH2OO + CH2O => CH2OOH + CH2OH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -//HOCH2CH2OO + C2H4 => HOCH2CH2O + CH3CHO 2.2E12 0.000 17200 0.0 0.0 0.0 -// HOCH2CH2OO + C2H4 => CH2O + CH2OH + CH3CHO 2.2E12 0.000 17200 0.0 0.0 0.0 \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C2/reactions.light b/output/RMG_database/kinetics_libraries/Glarborg/C2/reactions.light deleted file mode 100644 index 9e2d84f3f1..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C2/reactions.light +++ /dev/null @@ -1,897 +0,0 @@ -// CFG - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - - - -// Glarborg, -// -// ***************************************************************************** -// H2/O2 subset * -// ***************************************************************************** -// - - H + O2 = O + OH 3.6E15 -0.410 16600 0.0 0.0 0.0 - - - H + H + H2 = H2 + H2 1.0E17 -0.600 0 0.0 0.0 0.0 - H + H + H2O = H2 + H2O 1.0E19 -1.000 0 0.0 0.0 0.0 - - O + H2 = OH + H 3.8E12 0.000 7948 0.0 0.0 0.0 - // DUPLICATE - O + H2 = OH + H 8.8E14 0.000 19175 0.0 0.0 0.0 - // DUPLICATE - - OH + OH = O + H2O 4.3E03 2.700 -1822 0.0 0.0 0.0 - - - OH + H2 = H + H2O 2.1E08 1.520 3449 0.0 0.0 0.0 - H2 + O2 = HO2 + H 7.4E05 2.433 53502 0.0 0.0 0.0 - HO2 + H = OH + OH 8.4E13 0.000 400 0.0 0.0 0.0 - HO2 + H = H2O + O 1.4E12 0.000 0 0.0 0.0 0.0 - HO2 + O = OH + O2 1.6E13 0.000 -445 0.0 0.0 0.0 - - HO2 + OH = H2O + O2 3.6E21 -2.100 9000 0.0 0.0 0.0 - // DUPLICATE - HO2 + OH = H2O + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - // DUPLICATE -// HO2 + OH = H2O + O2 -2.2E96 -24.000 49000 0.0 0.0 0.0 - // DUPLICATE - - HO2 + HO2 = H2O2 + O2 1.9E11 0.000 -1408 0.0 0.0 0.0 - // DUPLICATE - HO2 + HO2 = H2O2 + O2 1.0E14 0.000 11034 0.0 0.0 0.0 - // DUPLICATE - - H2O2 + H = H2O + OH 1.0E13 0.000 3580 0.0 0.0 0.0 - H2O2 + H = HO2 + H2 1.7E12 0.000 3760 0.0 0.0 0.0 - H2O2 + O = HO2 + OH 9.6E06 2.000 3970 0.0 0.0 0.0 - - H2O2 + OH = H2O + HO2 1.9E12 0.000 427 0.0 0.0 0.0 - // DUPLICATE - H2O2 + OH = H2O + HO2 1.6E18 0.000 29410 0.0 0.0 0.0 - // DUPLICATE - -// -// ***************************************************************************** -// CO/CO2 subset * -// ***************************************************************************** -// - - - CO + O2 = CO2 + O 4.7E12 0.000 60500 0.0 0.0 0.0 - CO + HO2 = CO2 + OH 1.6E05 2.180 17943 0.0 0.0 0.0 -// (0.001 bar, 300 CH2O + OH 2.4E12 -0.925 1567 0.0 0.0 0.0 -// 10 atm -CH2O + OH => CH2O + OH 2.5E13 -0.927 1579 0.0 0.0 0.0 -// 100 atm -//CH2O + OH => CH2O + OH 7.0E14 -1.064 1744 0.0 0.0 0.0 - - - -// -// ***************************************************************************** -// C2 subset * -// ***************************************************************************** -// - - C2H6 + H = C2H5 + H2 9.8E13 0.000 9220 0.0 0.0 0.0 - C2H6 + O = C2H5 + OH 1.1E-07 6.500 274 0.0 0.0 0.0 - C2H6 + OH = C2H5 + H2O 9.2E06 2.000 990 0.0 0.0 0.0 - C2H6 + HO2 = C2H5 + H2O2 1.1E05 2.500 16850 0.0 0.0 0.0 - C2H6 + O2 = C2H5 + HO2 7.3E05 2.500 49160 0.0 0.0 0.0 - - C2H6 + CH3 = C2H5 + CH4 5.6E10 0.000 9418 0.0 0.0 0.0 - // DUPLICATE - C2H6 + CH3 = C2H5 + CH4 8.4E14 0.000 22250 0.0 0.0 0.0 - // DUPLICATE - - C2H5 + O = CH3 + CH2O 4.2E13 0.000 0 0.0 0.0 0.0 - C2H5 + O = CH3CHO + H 5.3E13 0.000 0 0.0 0.0 0.0 - C2H5 + O = C2H4 + OH 3.1E13 0.000 0 0.0 0.0 0.0 - C2H5 + OH = C2H4 + H2O 2.4E13 0.000 0 0.0 0.0 0.0 - C2H5 + HO2 = CH3CH2O + OH 3.1E13 0.000 0 0.0 0.0 0.0 - - C2H5 + O2 = C2H4 + HO2 1.4E07 1.090 -1975 0.0 0.0 0.0 - - C2H5 + CH2O = C2H6 + HCO 5.5E03 2.810 5860 0.0 0.0 0.0 - C2H5 + HCO = C2H6 + CO 4.3E13 0.000 0 0.0 0.0 0.0 -//C2H5 + HCO = C2H6 + CO 1.2E14 0.000 0 0.0 0.0 0.0 - C2H5 + CH3 = C2H4 + CH4 9.0E11 0.000 0 0.0 0.0 0.0 - C2H5 + C2H5 = C2H6 + C2H4 1.5E12 0.000 0 0.0 0.0 0.0 - - C2H4 + H = C2H3 + H2 2.4E02 3.620 11266 0.0 0.0 0.0 -// CH4 + CH = C2H4 + H 3.0E13 0.000 -400 0.0 0.0 0.0 - CH3 + CH2 = C2H4 + H 4.2E13 0.000 0 0.0 0.0 0.0 - - C2H4 + O = CH3 + HCO 3.9E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - C2H4 + O = CH3 + HCO 6.2E13 0.000 6855 0.0 0.0 0.0 - // DUPLICATE - - C2H4 + O = CH2CHO + H 1.7E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - C2H4 + O = CH2CHO + H 2.8E13 0.000 6855 0.0 0.0 0.0 - // DUPLICATE - -// RMG doesn't like this rate; I replaced it with NIST -// C2H4 + OH = C2H3 + H2O 1.3E-1 4.200 -860 0.0 0.0 0.0 -C2H4 + OH = C2H3 + H2O 5.4E07 1.8 4166 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH3 + CH2O 1.8E06 1.680 2061 0.0 0.0 0.0 -// 10 atm -C2H4 + OH = CH3 + CH2O 2.4E09 0.560 6007 0.0 0.0 0.0 -// fit to 60 atm,600-900K -// C2H4 + OH = CH3 + CH2O 3.3E11 0.000 9079 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH3 + CH2O 2.8E13 -0.500 11455 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH3CHO + H 2.4E-2 3.910 1723 0.0 0.0 0.0 -// 10 atm -C2H4 + OH = CH3CHO + H 8.2E08 1.010 10507 0.0 0.0 0.0 -// fit to 60 atm,600-900K -// C2H4 + OH = CH3CHO + H 1.4E33 -6.114 24907 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH3CHO + H 6.8E09 0.810 13867 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH2CHOH + H 3.2E05 2.190 5256 0.0 0.0 0.0 -// 10 atm -C2H4 + OH = CH2CHOH + H 1.9E08 1.430 7829 0.0 0.0 0.0 -// fit to 60 atm,600-900K -// C2H4 + OH = CH2CHOH + H 1.7E13 0.000 11527 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH2CHOH + H 8.5E10 0.750 11491 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH2CH2OH 6.0E37 -8.140 8043 0.0 0.0 0.0 -// // DUPLICATE -//C2H4 + OH = CH2CH2OH 7.3E23 -6.910 2855 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H4 + OH = CH2CH2OH 6.0E37 -7.770 10736 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H4 + OH = CH2CH2OH 3.0E26 -4.870 2297 0.0 0.0 0.0 -// // DUPLICATE -//C2H4 + OH = CH2CH2OH 6.0E37 -7.440 14269 0.0 0.0 0.0 -// // DUPLICATE -// fit to 60 atm,600-900K -// C2H4 + OH = CH2CH2OH 2.4E20 -2.399 3294 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH2CH2OH 2.8E19 -2.410 1011 0.0 0.0 0.0 -// // DUPLICATE - - C2H4 + HO2 = cC2H4O + OH 2.2E12 0.000 17200 0.0 0.0 0.0 - C2H4 + O2 = C2H3 + HO2 7.1E13 0.000 60010 0.0 0.0 0.0 - C2H4 + CH3 = C2H3 + CH4 6.0E07 1.560 16630 0.0 0.0 0.0 - - C2H3 + H = C2H2 + H2 4.5E13 0.000 0 0.0 0.0 0.0 -// CH3 + CH = C2H3 + H 3.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + O = CH2CO + H 3.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + OH = C2H2 + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - - C2H3 + HO2 = CH2CHO + OH 3.0E13 0.000 0 0.0 0.0 0.0 -// PM 60 bar -// RMG dislikes; cfg replaced w mclin -// C2H3 + O2 = CH2CHOO 1.1E12 0.000 -1680 0.0 0.0 0.0 -// C.F.Goldsmith replaced the above rate expression from Glarborg with the following rate expression from -// A. M. Mebel, E. W. G. Diau, M. C. Lin, and K. Morokuma J. Am. Chem. Soc. 1996, 118, 9759-9771 http://dx.doi.org/10.1021/ja961476e - C2H3 + O2 = CH2CHOO 3.0E36 -8.0 5680 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2O + HCO 6.3E12 0.000 3130 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2CHO + O 4.8E12 0.000 4800 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = C2H2 + HO2 7.6E11 0.000 7930 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH3O + CO 2.8E11 0.000 3130 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH3 + CO2 1.3E10 0.000 3130 0.0 0.0 0.0 - - - C2H3 + CH2O = C2H4 + HCO 5.4E03 2.810 5860 0.0 0.0 0.0 - C2H3 + HCO = C2H4 + CO 9.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + CH3 = C2H2 + CH4 2.1E13 0.000 0 0.0 0.0 0.0 - C2H3 + C2H3 = C2H4 + C2H2 1.5E13 0.000 0 0.0 0.0 0.0 - - C2H2 + O = HCCO + H 1.4E07 2.000 1900 0.0 0.0 0.0 - -// 1 atm -//C2H2 + OH = CH3 + CO 1.3E09 0.730 2579 0.0 0.0 0.0 -// 10 atm -C2H2 + OH = CH3 + CO 4.3E08 0.920 3736 0.0 0.0 0.0 -// 100 atm - C2H2 + OH = CH3 + CO 8.3E05 1.770 4697 0.0 0.0 0.0 - -// 1 atm -//C2H2 + OH = HCCOH + H 2.4E06 2.000 12713 0.0 0.0 0.0 -// 10 atm -C2H2 + OH = HCCOH + H 3.2E06 1.970 12810 0.0 0.0 0.0 -// 100 atm - C2H2 + OH = HCCOH + H 7.3E06 1.890 13603 0.0 0.0 0.0 - -// 1 atm -//C2H2 + OH = CHCHOH 1.9E44 -11.380 6299 0.0 0.0 0.0 -// // DUPLICATE -// 1 atm -//C2H2 + OH = CHCHOH 3.5E31 -6.200 6635 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H2 + OH = CHCHOH 1.5E24 -4.060 3261 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H2 + OH = CHCHOH 4.5E31 -5.920 8761 0.0 0.0 0.0 -// // DUPLICATE -// 100 atm -// C2H2 + OH = CHCHOH 6.2E20 -2.800 2831 0.0 0.0 0.0 - // DUPLICATE -// 100 atm -// C2H2 + OH = CHCHOH 1.6E29 -4.910 9734 0.0 0.0 0.0 - // DUPLICATE -// >>100 atm -//C2H2 + OH = CHCHOH 1.1E08 1.340 332 0.0 0.0 0.0 -// // DUPLICATE -// >>100 atm -//C2H2 + OH = CHCHOH 6.0E07 1.620 240 0.0 0.0 0.0 -// // DUPLICATE - - C2H2 + HO2 = CH2O + HCO 3.0E12 0.000 10000 0.0 0.0 0.0 - C2H2 + HO2 = CH2CHO + O 3.0E12 0.000 10000 0.0 0.0 0.0 - C2H2 + O2 = HCO + HCO 7.0E07 1.800 30600 0.0 0.0 0.0 - - CH3CH2OH + H = CH3CHOH + H2 2.6E07 1.650 2827 0.0 0.0 0.0 - CH3CH2OH + H = CH2CH2OH + H2 1.2E07 1.800 5098 0.0 0.0 0.0 - CH3CH2OH + H = CH3CH2O + H2 1.5E07 1.650 3038 0.0 0.0 0.0 - CH3CH2OH + O = CH3CHOH + OH 1.9E07 1.850 1824 0.0 0.0 0.0 - CH3CH2OH + O = CH2CH2OH + OH 9.4E07 1.700 5459 0.0 0.0 0.0 - CH3CH2OH + O = CH3CH2O + OH 1.6E07 2.000 4448 0.0 0.0 0.0 - CH3CH2OH + OH = CH3CHOH + H2O 4.6E11 0.150 0 0.0 0.0 0.0 - CH3CH2OH + OH = CH2CH2OH + H2O 1.7E11 0.270 600 0.0 0.0 0.0 - CH3CH2OH + OH = CH3CH2O + H2O 7.5E11 0.300 1634 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH3CHOH + H2O2 8.2E03 2.550 10750 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH2CH2OH + H2O2 1.2E04 2.550 15750 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH3CH2O + H2O2 2.5E12 0.000 24000 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH3CHOH + CH4 7.3E02 2.990 7948 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH2CH2OH + CH4 2.2E02 3.180 9622 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH3CH2O + CH4 1.5E02 2.990 7649 0.0 0.0 0.0 - - CH3CHOH + O = CH3CHO + OH 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHOH + H = CH2OH + CH3 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CHOH + H = C2H4 + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CHOH + OH = CH3CHO + H2O 5.0E12 0.000 0 0.0 0.0 0.0 - CH3CHOH + HO2 = CH3CHO + OH + OH 4.0E13 0.000 0 0.0 0.0 0.0 - - CH3CHOH + O2 = CH3CHO + HO2 8.4E15 -1.200 0 0.0 0.0 0.0 - // DUPLICATE - CH3CHOH + O2 = CH3CHO + HO2 4.8E14 0.000 5017 0.0 0.0 0.0 - // DUPLICATE - - CH2CH2OH = CH2CHOH + H 2.2E05 2.840 32920 0.0 0.0 0.0 - CH3CH2O = CH2CH2OH 2.8E-29 11.900 4450 0.0 0.0 0.0 - CH2CH2OH + H = CH3 + CH2OH 1.0E14 0.000 0 0.0 0.0 0.0 - - CH2CH2OH + O = CH2O + CH2OH 4.0E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + O = HOCH2CHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + OH = CH2CHOH + H2O 2.4E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + OH = HOCH2CHOH 3.3E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + HO2 = CH3CH2OH + O2 1.0E12 0.000 0 0.0 0.0 0.0 - CH2CH2OH + HO2 => CH2OH + CH2O + OH 3.0E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + HO2 = HOCH2CH2O + OH 3.0E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + O2 = CH2CHOH + HO2 1.4E07 1.090 -1975 0.0 0.0 0.0 - - CH3CH2O = CH3CHO + H 1.3E13 0.000 20060 0.0 0.0 0.0 - CH3CH2O + H = CH3CHO + H2 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CH2O + OH = CH3CHO + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CH2O + O2 = CH3CHO + HO2 1.5E10 0.000 645 0.0 0.0 0.0 - CH3CH2O + CO = C2H5 + CO2 9.5E25 -4.930 9080 0.0 0.0 0.0 - - - CH3CHO + H = CH3CO + H2 4.7E13 -0.350 3000 0.0 0.0 0.0 - CH3CHO + H = CH2CHO + H2 1.9E12 0.400 5359 0.0 0.0 0.0 - CH3CHO + O = CH3CO + OH 1.8E18 -1.900 2975 0.0 0.0 0.0 - CH3CHO + O = CH2CHO + OH 3.7E13 -0.200 3556 0.0 0.0 0.0 - CH3CHO + OH = CH3CO + H2O 2.4E11 0.300 -1000 0.0 0.0 0.0 - CH3CHO + OH = CH2CHO + H2O 3.0E13 -0.600 800 0.0 0.0 0.0 - CH3CHO + HO2 = CH3CO + H2O2 2.4E19 -2.200 14030 0.0 0.0 0.0 - CH3CHO + HO2 = CH2CHO + H2O2 2.3E11 0.400 14864 0.0 0.0 0.0 - CH3CHO + O2 = CH3CO + HO2 1.2E05 2.500 37554 0.0 0.0 0.0 - CH3CHO + CH3 = CH3CO + CH4 3.9E-07 5.800 2200 0.0 0.0 0.0 - CH3CHO + CH3 = CH2CHO + CH4 2.5E01 3.150 5727 0.0 0.0 0.0 - - cC2H4O = CH2CHO + H 1.8E13 0.200 71780 0.0 0.0 0.0 - cC2H4O = CH3 + HCO 5.6E13 0.400 61880 0.0 0.0 0.0 - cC2H4O = CH3CO + H 2.4E13 0.250 65310 0.0 0.0 0.0 - cC2H4O = CH2CO + H2 3.6E12 -0.200 63030 0.0 0.0 0.0 - cC2H4O = CH3CHO 3.2E12 -0.750 46424 0.0 0.0 0.0 - cC2H4O = C2H2 + H2O 7.6E12 0.060 69530 0.0 0.0 0.0 -//cC2H4O + H = CH3CHO + H 5.6E13 0.000 10950 0.0 0.0 0.0 - cC2H4O + H = cC2H3O + H2 2.0E13 0.000 8310 0.0 0.0 0.0 - cC2H4O + H = C2H3 + H2O 5.0E09 0.000 5000 0.0 0.0 0.0 - cC2H4O + H = C2H4 + OH 9.5E10 0.000 5000 0.0 0.0 0.0 - cC2H4O + O = cC2H3O + OH 1.9E12 0.000 5250 0.0 0.0 0.0 - cC2H4O + OH = cC2H3O + H2O 1.8E13 0.000 3610 0.0 0.0 0.0 - cC2H4O + HO2 = cC2H3O + H2O2 4.0E12 0.000 17000 0.0 0.0 0.0 - cC2H4O + O2 = cC2H3O + HO2 4.0E13 0.000 61500 0.0 0.0 0.0 - cC2H4O + CH3 = cC2H3O + CH4 1.1E12 0.000 11830 0.0 0.0 0.0 - - CH2CHOH + H = CHCHOH + H2 2.4E02 3.630 11266 0.0 0.0 0.0 - CH2CHOH + H = CH2CHO + H2 1.5E07 1.700 3000 0.0 0.0 0.0 - - CH2CHOH + O = CH2OH + HCO 3.9E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - CH2CHOH + O = CH2OH + HCO 6.2E13 0.000 6855 0.0 0.0 0.0 - // DUPLICATE - - CH2CHOH + O = CH2CHO + OH 1.6E07 2.000 4400 0.0 0.0 0.0 - CH2CHOH + OH = CHCHOH + H2O 1.3E-1 4.200 -860 0.0 0.0 0.0 - CH2CHOH + OH = CH2CHO + H2O 7.5E11 0.300 1600 0.0 0.0 0.0 - CH2CHOH + O2 => CH2O + HCO + OH 3.5E07 1.800 39000 0.0 0.0 0.0 - -// 1 atm -// CHCHOH = HCCOH + H 1.1E31 -6.153 51383 0.0 0.0 0.0 -// 10 atm -CHCHOH = HCCOH + H 1.5E32 -6.168 52239 0.0 0.0 0.0 -// 100 atm -//CHCHOH = HCCOH + H 5.5E29 -5.057 52377 0.0 0.0 0.0 - - CHCHOH + H = CH2CHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CHCHOH + O = OCHCHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CHCHOH + O2 = HCCOH + HO2 1.4E02 3.400 3700 0.0 0.0 0.0 -//#CHCHOH + O2 = OCHCHO + OH 2.5E12 0.000 0 0.0 0.0 0.0 - - cC2H3O = CH2CHO 8.7E31 -6.900 14994 0.0 0.0 0.0 - cC2H3O = CH2CO + H 5.0E13 0.000 14863 0.0 0.0 0.0 - cC2H3O = CH3 + CO 7.1E12 0.000 14280 0.0 0.0 0.0 - - -// ( 0.01 bar) -//CH2CHO = CH2CO + H 2.4E25 -4.800 43424 0.0 0.0 0.0 -// ( 0.1 bar) -//CH2CHO = CH2CO + H 2.4E30 -5.860 46114 0.0 0.0 0.0 -// ( 1 bar) -//CH2CHO = CH2CO + H 1.3E34 -6.570 49454 0.0 0.0 0.0 -// ( 10 bar) -CH2CHO = CH2CO + H 3.5E36 -6.920 52979 0.0 0.0 0.0 -// (100 bar) -// CH2CHO = CH2CO + H 1.2E36 -6.480 55171 0.0 0.0 0.0 -// (high-PL) -//CH2CHO = CH2CO + H 1.4E15 -0.150 45606 0.0 0.0 0.0 - -// ( 0.01 bar) -//CH2CHO = CH3 + CO 1.2E30 -6.070 41332 0.0 0.0 0.0 -// ( 0.1 bar) -//CH2CHO = CH3 + CO 6.4E32 -6.570 44282 0.0 0.0 0.0 -// ( 1 bar) -//CH2CHO = CH3 + CO 6.5E34 -6.870 47191 0.0 0.0 0.0 -// ( 10 bar) -CH2CHO = CH3 + CO 2.2E35 -6.760 49548 0.0 0.0 0.0 -// (100 bar) -// CH2CHO = CH3 + CO 2.2E33 -5.970 50448 0.0 0.0 0.0 -// (high-PL) -//CH2CHO = CH3 + CO 2.9E12 0.290 40326 0.0 0.0 0.0 - - CH2CHO + H = CH3 + HCO 1.0E14 0.000 0 0.0 0.0 0.0 - CH2CHO + H = CH3CO + H 3.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + H = CH2CO + H2 2.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + O = CH2CO + OH 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + OH = CH2CO + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + OH = CH2OH + HCO 1.0E13 0.000 0 0.0 0.0 0.0 - -// 1 atm -//CH2CHO + O2 = CH2O + CO + OH 5.7E17 -1.757 11067 0.0 0.0 0.0 -// 10 atm -CH2CHO + O2 = CH2O + CO + OH 1.1E14 -0.610 11422 0.0 0.0 0.0 -// 100 atm -// CH2CHO + O2 = CH2O + CO + OH 1.5E-10 6.690 4868 0.0 0.0 0.0 - -//#CH2CHO + O2 = OCHCHO + OH 2.2E11 0.000 1500 0.0 0.0 0.0 - CH2CHO + CH3 = C2H5 + CO + H 4.9E14 -0.500 0 0.0 0.0 0.0 - CH2CHO + HO2 = CH2O + HCO + OH 7.0E12 -0.500 0 0.0 0.0 0.0 - CH2CHO + HO2 = CH3CHO + O2 3.0E12 -0.500 0 0.0 0.0 0.0 - CH2CHO + CH2 = C2H4 + HCO 5.0E13 0.000 0 0.0 0.0 0.0 -// CH2CHO + CH = C2H3 + HCO 1.0E14 0.000 0 0.0 0.0 0.0 - -// ( 0.01 bar) -//CH3CO = CH3 + CO 6.9E14 -1.970 14584 0.0 0.0 0.0 -// ( 0.1 bar) -//CH3CO = CH3 + CO 2.0E16 -2.090 15197 0.0 0.0 0.0 -// ( 1 bar) -//CH3CO = CH3 + CO 6.5E18 -2.520 16436 0.0 0.0 0.0 -// ( 10 bar) -CH3CO = CH3 + CO 8.2E19 -2.550 17263 0.0 0.0 0.0 -// (100 bar) -// CH3CO = CH3 + CO 1.3E20 -2.320 18012 0.0 0.0 0.0 -// (high-PL) -//CH3CO = CH3 + CO 1.1E12 0.630 16895 0.0 0.0 0.0 - - CH2CO + H = CH3CO 2.3E08 1.610 2627 0.0 0.0 0.0 - CH3CO + H = CH3 + HCO 2.1E13 0.000 0 0.0 0.0 0.0 - CH3CO + H = CH2CO + H2 1.2E13 0.000 0 0.0 0.0 0.0 - CH3CO + O = CH3 + CO2 1.6E14 0.000 0 0.0 0.0 0.0 - CH3CO + O = CH2CO + OH 5.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + OH = CH2CO + H2O 1.2E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3OO = CH3 + CO2 + CH3O 2.4E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3 = C2H6 + CO 3.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3 = CH2CO + CH4 5.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + O2 = CH2O + CO + OH 1.9E12 0.000 0 0.0 0.0 0.0 - - CH2CO + H = CH3 + CO 3.3E10 0.851 2840 0.0 0.0 0.0 - CH2CO + H = HCCO + H2 3.0E07 2.000 10000 0.0 0.0 0.0 -// CH + CH2O = CH2CO + H 9.5E13 0.000 -517 0.0 0.0 0.0 - CH2CO + O = CO2 + CH2 1.8E12 0.000 1350 0.0 0.0 0.0 - CH2CO + O = HCCO + OH 2.0E07 2.000 10000 0.0 0.0 0.0 - CH2CO + OH = CH2OH + CO 1.0E12 0.000 -1013 0.0 0.0 0.0 - CH2CO + OH = CH3 + CO2 6.7E11 0.000 -1013 0.0 0.0 0.0 - CH2CO + OH = HCCO + H2O 1.0E07 2.000 3000 0.0 0.0 0.0 - - HCCOH + H = HCCO + H2 3.0E07 2.000 1000 0.0 0.0 0.0 - HCCOH + O = HCCO + OH 2.0E07 2.000 1900 0.0 0.0 0.0 - HCCOH + OH = HCCO + H2O 1.0E07 2.000 1000 0.0 0.0 0.0 - - - HCCO + O = CO + CO + H 1.0E14 0.000 0 0.0 0.0 0.0 - HCCO + OH = HCO + HCO 1.0E13 0.000 0 0.0 0.0 0.0 - HCCO + OH = C2O + H2O 6.0E13 0.000 0 0.0 0.0 0.0 - HCCO + O2 = CO2 + CO + H 4.9E12 -0.142 1150 0.0 0.0 0.0 - HCCO + O2 = CO + CO + OH 1.6E11 -0.020 1020 0.0 0.0 0.0 - HCCO + O2 = HCO + CO + O 2.2E02 2.690 3540 0.0 0.0 0.0 - HCCO + CH2 = C2H3 + CO 3.0E13 0.000 0 0.0 0.0 0.0 -// HCCO + CH = C2H2 + CO 5.0E13 0.000 0 0.0 0.0 0.0 - HCCO + HCCO = C2H2 + CO + CO 1.0E13 0.000 0 0.0 0.0 0.0 - - - -// C2O + H = CH + CO 1.3E13 0.000 0 0.0 0.0 0.0 - C2O + O = CO + CO 5.2E13 0.000 0 0.0 0.0 0.0 - C2O + OH = CO + CO + H 2.0E13 0.000 0 0.0 0.0 0.0 - C2O + O2 = CO + CO + O 1.0E13 0.000 2600 0.0 0.0 0.0 - C2O + O2 = CO + CO2 1.0E13 0.000 2600 0.0 0.0 0.0 - -// C2O + C = CO + C2 1.0E14 0.000 0 0.0 0.0 0.0 - -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b], 1 bar) -// CH3CH2OOH = CH3CH2O + OH 2.0E35 -6.700 47450 0.0 0.0 0.0 -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b], 10 bar) -CH3CH2OOH = CH3CH2O + OH 1.1E28 -4.150 46190 0.0 0.0 0.0 -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b], 50 bar) -//CH3CH2OOH = CH3CH2O + OH 2.8E26 -3.500 46340 0.0 0.0 0.0 -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b],high P limit) -//CH3CH2OOH = CH3CH2O + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - - CH3CH2OOH + H = CH3CHO + OH + H2 6.5E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + H = CH3CH2OO + H2 4.3E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + H = CH3CH2O + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + O = CH3CHO + OH + OH 1.6E13 0.000 4750 0.0 0.0 0.0 - CH3CH2OOH + O = CH3CH2OO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH3CH2OOH + OH = CH3CHO + OH + H2O 7.2E11 0.000 -258 0.0 0.0 0.0 - CH3CH2OOH + OH = CH3CH2OO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH3CH2OOH + HO2 = CH3CH2OO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - - - CH3CH2OO + H = CH3CH2O + OH 9.6E13 0.000 0 0.0 0.0 0.0 - CH3CH2OO + O = CH3CH2O + O2 1.6E13 0.000 -145 0.0 0.0 0.0 - CH3CH2OO + OH = CH3CH2OH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH3CH2OO + OH = CH3CH2O + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH3CH2OO + HO2 = CH3CH2OOH + O2 4.5E11 0.000 -1391 0.0 0.0 0.0 - CH3CH2OO + CO = CH3CH2O + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH3CH2OO + CH3 = CH3CH2O + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3CH2OO + CH4 = CH3CH2OOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH3CH2OO + CH3OH = CH3CH2OOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH3CH2OO + CH2O = CH3CH2OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH3CH2OO + C2H5 = CH3CH2O + CH3CH2O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3CH2OO + C2H6 = CH3CH2OOH + C2H5 8.6E00 3.760 17200 0.0 0.0 0.0 - CH3CH2OO + CH3CHO = CH3CH2OOH + CH3CO 2.4E19 -2.200 14030 0.0 0.0 0.0 - CH3CH2OO + CH3CHO = CH3CH2OOH + CH2CHO 2.3E11 0.400 14864 0.0 0.0 0.0 - CH3CH2OO + CH3CH2OO = CH3CH2O + CH3CH2O + O2 2.9E11 -0.270 408 0.0 0.0 0.0 - CH3CH2OO + CH3CH2OO = CH3CHO + CH3CH2OH + O2 4.3E09 0.000 -850 0.0 0.0 0.0 - - CH2CH2OOH = cC2H4O + OH 1.3E10 0.720 15380 0.0 0.0 0.0 - CH2CH2OOH = CH3CH2OO 1.2E07 1.040 17980 0.0 0.0 0.0 - CH2CH2OOH = C2H4 + HO2 1.3E11 0.520 16150 0.0 0.0 0.0 - -// est = CH3OOH = CH3O + OH, 1 bar -// CH2CHOOH = CH2CHO + OH 2.0E35 -6.700 47450 0.0 0.0 0.0 -// est = CH3OOH = CH3O + OH, 10 bar) -CH2CHOOH = CH2CHO + OH 1.1E28 -4.150 46190 0.0 0.0 0.0 -// est = CH3OOH = CH3O + OH, 50 bar) -//CH2CHOOH = CH2CHO + OH 2.8E26 -3.500 46340 0.0 0.0 0.0 -// est = CH3OOH = CH3O + OH,high P limit) -//CH2CHOOH = CH2CHO + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - - CH2CHOOH + H = CH2CHOO + H2 4.3E10 0.000 1860 0.0 0.0 0.0 - CH2CHOOH + H = CH2CHO + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH2CHOOH + O = CH2CHOO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH2CHOOH + OH = CH2CHOO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH2CHOOH + HO2 = CH2CHOO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - -// 100 atm - CH2CHOO = C2H2 + HO2 9.6E48 -8.868 110591 0.0 0.0 0.0 -// 100 atm - CH2CHOO = CH2O + HCO 3.1E47 -8.701 111046 0.0 0.0 0.0 -// 60atm, 6-900K fit -// CH2CHOO = CYCOOC. 3.9E09 0.000 22250 0.0 0.0 0.0 -// 100 atm -//CH2CHOO = CYCOOC. 1.1E19 -2.782 26427 0.0 0.0 0.0 - - CH2CHOO + H = CH2CHO + OH 9.6E13 0.000 0 0.0 0.0 0.0 - CH2CHOO + O = CH2CHO + O2 1.6E13 0.000 -145 0.0 0.0 0.0 - CH2CHOO + OH = CH2CHOH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH2CHOO + OH = CH2CHO + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH2CHOO + HO2 = CH2CHOOH + O2 4.5E11 0.000 -1391 0.0 0.0 0.0 - CH2CHOO + CO = CH2CHO + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH2CHOO + CH3 = CH2CHO + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH2CHOO + CH4 = CH2CHOOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH2CHOO + CH3OH = CH2CHOOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH2CHOO + CH2O = CH2CHOOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH2CHOO + C2H6 = CH2CHOOH + C2H5 8.6E00 3.760 17200 0.0 0.0 0.0 diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C2/reactions.txt b/output/RMG_database/kinetics_libraries/Glarborg/C2/reactions.txt deleted file mode 100644 index 8add4ee74f..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C2/reactions.txt +++ /dev/null @@ -1,624 +0,0 @@ -// CFG - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - - - -// Glarborg, -// -// ***************************************************************************** -// H2/O2 subset * -// ***************************************************************************** -// - - H + O2 = O + OH 3.6E15 -0.410 16600 0.0 0.0 0.0 - - - H + H + H2 = H2 + H2 1.0E17 -0.600 0 0.0 0.0 0.0 - H + H + H2O = H2 + H2O 1.0E19 -1.000 0 0.0 0.0 0.0 - - O + H2 = OH + H 3.8E12 0.000 7948 0.0 0.0 0.0 - DUPLICATE - O + H2 = OH + H 8.8E14 0.000 19175 0.0 0.0 0.0 - DUPLICATE - - OH + OH = O + H2O 4.3E03 2.700 -1822 0.0 0.0 0.0 - - - OH + H2 = H + H2O 2.1E08 1.520 3449 0.0 0.0 0.0 - H2 + O2 = HO2 + H 7.4E05 2.433 53502 0.0 0.0 0.0 - HO2 + H = OH + OH 8.4E13 0.000 400 0.0 0.0 0.0 - HO2 + H = H2O + O 1.4E12 0.000 0 0.0 0.0 0.0 - HO2 + O = OH + O2 1.6E13 0.000 -445 0.0 0.0 0.0 - -// These three add up to give Glarborg's preferred rate, but the third of them -// has a negative A which RMG does not like: - // HO2 + OH = H2O + O2 3.6E21 -2.100 9000 0.0 0.0 0.0 - // // DUPLICATE - // HO2 + OH = H2O + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - // // DUPLICATE - // HO2 + OH = H2O + O2 -2.2E96 -24.000 49000 0.0 0.0 0.0 - // // DUPLICATE -// Instead here is a rate from Baulch et al JPCRF 1994 as reported by -// http://kinetics.nist.gov/kinetics/Detail?id=1994BAU/COB847-1033:91 -// although the valid temperature range is not very large... - HO2 + OH = H2O + O2 2.89E13 0.000 -497 *1.58 0.0 0.0 - - HO2 + HO2 = H2O2 + O2 1.9E11 0.000 -1408 0.0 0.0 0.0 - DUPLICATE - HO2 + HO2 = H2O2 + O2 1.0E14 0.000 11034 0.0 0.0 0.0 - DUPLICATE - - H2O2 + H = H2O + OH 1.0E13 0.000 3580 0.0 0.0 0.0 - H2O2 + H = HO2 + H2 1.7E12 0.000 3760 0.0 0.0 0.0 - H2O2 + O = HO2 + OH 9.6E06 2.000 3970 0.0 0.0 0.0 - - H2O2 + OH = H2O + HO2 1.9E12 0.000 427 0.0 0.0 0.0 - DUPLICATE - H2O2 + OH = H2O + HO2 1.6E18 0.000 29410 0.0 0.0 0.0 - DUPLICATE - -// -// ***************************************************************************** -// CO/CO2 subset * -// ***************************************************************************** -// - - - CO + O2 = CO2 + O 4.7E12 0.000 60500 0.0 0.0 0.0 - CO + HO2 = CO2 + OH 1.6E05 2.180 17943 0.0 0.0 0.0 - - HOCO + OH = CO2 + H2O 4.6E12 0.000 -89 0.0 0.0 0.0 - DUPLICATE - HOCO + OH = CO2 + H2O 9.5E06 2.000 -89 0.0 0.0 0.0 - DUPLICATE - - HOCO + OH = CO + H2O2 1.0E13 0.000 0 0.0 0.0 0.0 - HOCO + O2 = CO2 + HO2 9.9E11 0.000 0 0.0 0.0 0.0 - -// -// ***************************************************************************** -// CH2O subset * -// ***************************************************************************** -// - - CH2O + H = HCO + H2 4.1E08 1.470 2444 0.0 0.0 0.0 - CH2O + O = HCO + OH 4.2E11 0.570 2760 0.0 0.0 0.0 - CH2O + O2 = HCO + HO2 2.4E05 2.500 36461 0.0 0.0 0.0 - -//SCRATCH: RMG doesn't like this rate; cfg replaced it with baulch - CH2O + OH = HCO + H2O 7.8E07 1.630 -1055 0.0 0.0 0.0 -//CH2O + OH = HCO + H2O 4.9E12 0.0 -79.5 0.0 0.0 0.0 - CH2O + HO2 = HCO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - CH2O + CH3 = HCO + CH4 3.2E01 3.360 4310 0.0 0.0 0.0 - - HCO + H = CO + H2 1.1E14 0.000 0 0.0 0.0 0.0 - HCO + O = CO + OH 3.0E13 0.000 0 0.0 0.0 0.0 - HCO + O = CO2 + H 3.0E13 0.000 0 0.0 0.0 0.0 - HCO + OH = CO + H2O 1.1E14 0.000 0 0.0 0.0 0.0 - HCO + O2 = CO + HO2 3.4E12 0.000 0 0.0 0.0 0.0 - HCO + HO2 = CO2 + OH + H 3.0E13 0.000 0 0.0 0.0 0.0 - HCO + HCO = CO + CH2O 2.7E13 0.000 0 0.0 0.0 0.0 - -// -// ***************************************************************************** -// CH4 subset * -// ***************************************************************************** -// - - CH4 + H = CH3 + H2 4.1E03 3.156 8755 0.0 0.0 0.0 - CH4 + O = CH3 + OH 4.4E05 2.500 6577 0.0 0.0 0.0 - CH4 + OH = CH3 + H2O 1.0E06 2.182 2506 0.0 0.0 0.0 - CH4 + HO2 = CH3 + H2O2 4.7E04 2.500 21000 0.0 0.0 0.0 -//CH4 + O2 = CH3 + HO2 see reverse - CH4 + CH2 = CH3 + CH3 4.3E12 0.000 10030 0.0 0.0 0.0 - CH4 + CH2(S) = CH3 + CH3 4.3E13 0.000 0 0.0 0.0 0.0 - - - CH3 + H = CH2 + H2 9.0E13 0.000 15100 0.0 0.0 0.0 - CH2(S) + H2 = CH3 + H 7.2E13 0.000 0 0.0 0.0 0.0 - CH3 + O = CH2O + H 6.9E13 0.000 0 0.0 0.0 0.0 - CH3 + O = H2 + CO + H 1.5E13 0.000 0 0.0 0.0 0.0 - CH3 + OH = CH2 + H2O 1.1E03 3.000 2780 0.0 0.0 0.0 - CH2(S) + H2O = CH3 + OH 3.0E15 -0.600 0 0.0 0.0 0.0 - - - CH3 + HO2 = CH4 + O2 1.2E05 2.228 -3020 0.0 0.0 0.0 -// RMG dislikes! replaced with Jasper -//CH3 + HO2 = CH4 + O2 2.5E08 1.250 -1630 0.0 0.0 0.0 -//CH3 + HO2 = CH4 + O2 1.8E03 2.830 -3730 0.0 0.0 0.0 - -// replace with Jasper -CH3 + HO2 = CH3O + OH 1.0E12 0.2688 -687.5 0.0 0.0 0.0 -// CH3 + HO2 = CH3O + OH 2.0E13 0.000 1075 0.0 0.0 0.0 - CH3 + O2 = CH3O + O 7.5E12 0.000 28297 0.0 0.0 0.0 - CH3 + O2 = CH2O + OH 1.9E11 0.000 9842 0.0 0.0 0.0 - - - CH3 + HCO = CH4 + CO 2.8E13 0.000 0 0.0 0.0 0.0 - CH3 + CH3 = C2H5 + H 5.4E13 0.000 16055 0.0 0.0 0.0 - - -// CH2 + H = CH + H2 1.0E18 -1.560 0 0.0 0.0 0.0 - CH2 + O = CO + H + H 5.0E13 0.000 0 0.0 0.0 0.0 - CH2 + O = CO + H2 3.0E13 0.000 0 0.0 0.0 0.0 - CH2 + OH = CH2O + H 3.0E13 0.000 0 0.0 0.0 0.0 -// CH2 + OH = CH + H2O 1.1E07 2.000 3000 0.0 0.0 0.0 - CH2 + O2 = CO + H2O 2.2E22 -3.300 2867 0.0 0.0 0.0 - CH2 + O2 = CO2 + H + H 3.3E21 -3.300 2867 0.0 0.0 0.0 - CH2 + O2 = CH2O + O 3.3E21 -3.300 2867 0.0 0.0 0.0 - CH2 + O2 = CO2 + H2 2.6E21 -3.300 2867 0.0 0.0 0.0 - CH2 + O2 = CO + OH + H 1.6E21 -3.300 2867 0.0 0.0 0.0 - CH2 + CO2 = CO + CH2O 1.0E11 0.000 1000 0.0 0.0 0.0 - - - CH2(S) + H = CH2 + H 2.0E14 0.000 0 0.0 0.0 0.0 -// CH2(S) + H = CH + H2 3.0E13 0.000 0 0.0 0.0 0.0 - CH2(S) + O = CO + H + H 3.0E13 0.000 0 0.0 0.0 0.0 - CH2(S) + OH = CH2O + H 3.0E13 0.000 0 0.0 0.0 0.0 - CH2(S) + O2 = CO + OH + H 7.0E13 0.000 0 0.0 0.0 0.0 - CH2(S) + H2O = CH2 + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH2(S) + CO2 = CH2O + CO 1.1E13 0.000 0 0.0 0.0 0.0 -// CH + H = C + H2 1.5E14 0.000 0 0.0 0.0 0.0 -// CH + O = CO + H 5.7E13 0.000 0 0.0 0.0 0.0 -// CH + OH = HCO + H 3.0E13 0.000 0 0.0 0.0 0.0 -// CH + OH = C + H2O 4.0E07 2.000 3000 0.0 0.0 0.0 -// CH + O2 = HCO + O 3.3E13 0.000 0 0.0 0.0 0.0 -// CH + H2O = CH2O + H 5.7E12 0.000 -755 0.0 0.0 0.0 -// CH + CO2 = HCO + CO 8.8E06 1.750 -1040 0.0 0.0 0.0 -// C + OH = CO + H 5.0E13 0.000 0 0.0 0.0 0.0 -// C + O2 = CO + O 2.0E13 0.000 0 0.0 0.0 0.0 - - - CH3OH + H = CH2OH + H2 2.9E09 1.240 4491 0.0 0.0 0.0 - CH3OH + H = CH3O + H2 5.1E08 1.240 4491 0.0 0.0 0.0 - CH3OH + O = CH2OH + OH 2.1E13 0.000 5305 0.0 0.0 0.0 - CH3OH + O = CH3O + OH 3.7E12 0.000 5305 0.0 0.0 0.0 - CH3OH + OH = CH2OH + H2O 1.5E08 1.4434 113 0.0 0.0 0.0 - CH3OH + OH = CH3O + H2O 2.7E07 1.4434 113 0.0 0.0 0.0 - CH3OH + HO2 = CH2OH + H2O2 2.0E13 0.000 15000 0.0 0.0 0.0 - CH3OH + O2 = CH2OH + HO2 6.0E13 0.000 46600 0.0 0.0 0.0 - CH3OH + O2 = CH3O + HO2 6.0E13 0.000 54800 0.0 0.0 0.0 - - - CH2OH + H = CH2O + H2 1.4E13 0.000 0 0.0 0.0 0.0 - CH2OH + H = CH3 + OH 6.0E12 0.000 0 0.0 0.0 0.0 - - - CH2OH + O = CH2O + OH 6.6E13 0.000 -693 0.0 0.0 0.0 - CH2OH + OH = CH2O + H2O 2.4E13 0.000 0 0.0 0.0 0.0 - CH2OH + HO2 = CH2O + H2O2 1.2E13 0.000 0 0.0 0.0 0.0 - - CH2OH + O2 = CH2O + HO2 7.2E13 0.000 3736 0.0 0.0 0.0 - DUPLICATE - CH2OH + O2 = CH2O + HO2 2.9E16 -1.500 0 0.0 0.0 0.0 - DUPLICATE - - CH2OH + HCO = CH3OH + CO 1.0E13 0.000 0 0.0 0.0 0.0 - CH2OH + HCO = CH2O + CH2O 1.5E13 0.000 0 0.0 0.0 0.0 - CH2OH + CH2O = CH3OH + HCO 5.5E03 2.810 5862 0.0 0.0 0.0 - CH2OH + CH2OH = CH3OH + CH2O 4.8E12 0.000 0 0.0 0.0 0.0 - CH2OH + CH3O = CH3OH + CH2O 2.4E12 0.000 0 0.0 0.0 0.0 - CH2OH + CH4 = CH3OH + CH3 2.2E01 3.100 16227 0.0 0.0 0.0 - - - CH3O + H = CH2O + H2 5.3E13 0.000 745 0.0 0.0 0.0 - CH3O + H = CH3 + OH 4.6E12 0.000 745 0.0 0.0 0.0 - - - CH3O + O = CH2O + OH 3.8E12 0.000 0 0.0 0.0 0.0 - CH3O + OH = CH2O + H2O 1.8E13 0.000 0 0.0 0.0 0.0 - CH3O + HO2 = CH2O + H2O2 3.0E11 0.000 0 0.0 0.0 0.0 - CH3O + O2 = CH2O + HO2 2.2E10 0.000 1749 0.0 0.0 0.0 - CH3O + CO = CH3 + CO2 9.5E25 -4.930 9080 0.0 0.0 0.0 - CH3O + CH3 = CH2O + CH4 2.4E13 0.000 0 0.0 0.0 0.0 - CH3O + CH4 = CH3OH + CH3 1.3E14 0.000 15073 0.0 0.0 0.0 - CH3O + CH2O = CH3OH + HCO 1.0E11 0.000 2981 0.0 0.0 0.0 - - CH3O + CH3O = CH3OH + CH2O 6.0E13 0.000 0 0.0 0.0 0.0 - - - CH3OOH + H = CH2O + OH + H2 5.4E10 0.000 1860 0.0 0.0 0.0 - CH3OOH + H = CH3OO + H2 5.4E10 0.000 1860 0.0 0.0 0.0 - CH3OOH + H = CH3O + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH3OOH + O = CH2O + OH + OH 1.6E13 0.000 4750 0.0 0.0 0.0 - CH3OOH + O = CH3OO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH3OOH + OH = CH3OO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH3OOH + OH = CH2O + OH + H2O 7.2E11 0.000 -258 0.0 0.0 0.0 - CH3OOH + HO2 = CH3OO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - - CH3OO + H = CH3O + OH 1.0E14 0.000 0 0.0 0.0 0.0 - CH3OO + O = CH3O + O2 1.6E13 0.000 -445 0.0 0.0 0.0 - CH3OO + OH = CH3OH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH3OO + OH = CH3O + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH3OO + HO2 = CH3OOH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 - CH3OO + CH3 = CH3O + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3OO + CH4 = CH3OOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH3OO + HCO = CH3O + H + CO2 3.0E13 0.000 0 0.0 0.0 0.0 - CH3OO + CO = CH3O + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH3OO + CH2O = CH3OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH3OO + CH3O = CH2O + CH3OOH 3.0E11 0.000 0 0.0 0.0 0.0 - CH3OO + CH3OH = CH3OOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH3OO + CH3OO = CH3O + CH3O + O2 1.1E18 -2.400 1800 0.0 0.0 0.0 - DUPLICATE - CH3OO + CH3OO = CH3O + CH3O + O2 7.0E10 0.000 800 0.0 0.0 0.0 - DUPLICATE - - CH3OO + CH3OO = CH3OH + CH2O + O2 2.0E11 -0.550 -1600 0.0 0.0 0.0 - CH3OO + C2H5 = CH3O + CH3CH2O 5.1E12 0.000 -1410 0.0 0.0 0.0 - CH3OO + C2H6 = CH3OOH + C2H5 1.9E01 3.640 17100 0.0 0.0 0.0 - - -// -// ***************************************************************************** -// C2 subset * -// ***************************************************************************** -// - - C2H6 + H = C2H5 + H2 9.8E13 0.000 9220 0.0 0.0 0.0 - C2H6 + O = C2H5 + OH 1.1E-07 6.500 274 0.0 0.0 0.0 - C2H6 + OH = C2H5 + H2O 9.2E06 2.000 990 0.0 0.0 0.0 - C2H6 + HO2 = C2H5 + H2O2 1.1E05 2.500 16850 0.0 0.0 0.0 - C2H6 + O2 = C2H5 + HO2 7.3E05 2.500 49160 0.0 0.0 0.0 - - C2H6 + CH3 = C2H5 + CH4 5.6E10 0.000 9418 0.0 0.0 0.0 - DUPLICATE - C2H6 + CH3 = C2H5 + CH4 8.4E14 0.000 22250 0.0 0.0 0.0 - DUPLICATE - - C2H6 + CH2(S) = C2H5 + CH3 1.2E14 0.000 0 0.0 0.0 0.0 - - C2H5 + O = CH3 + CH2O 4.2E13 0.000 0 0.0 0.0 0.0 - C2H5 + O = CH3CHO + H 5.3E13 0.000 0 0.0 0.0 0.0 - C2H5 + O = C2H4 + OH 3.1E13 0.000 0 0.0 0.0 0.0 - C2H5 + OH = C2H4 + H2O 2.4E13 0.000 0 0.0 0.0 0.0 - C2H5 + HO2 = CH3CH2O + OH 3.1E13 0.000 0 0.0 0.0 0.0 - - C2H5 + O2 = C2H4 + HO2 1.4E07 1.090 -1975 0.0 0.0 0.0 - - C2H5 + CH2O = C2H6 + HCO 5.5E03 2.810 5860 0.0 0.0 0.0 - C2H5 + HCO = C2H6 + CO 4.3E13 0.000 0 0.0 0.0 0.0 -//C2H5 + HCO = C2H6 + CO 1.2E14 0.000 0 0.0 0.0 0.0 - C2H5 + CH3 = C2H4 + CH4 9.0E11 0.000 0 0.0 0.0 0.0 - C2H5 + C2H5 = C2H6 + C2H4 1.5E12 0.000 0 0.0 0.0 0.0 - - C2H4 + H = C2H3 + H2 2.4E02 3.620 11266 0.0 0.0 0.0 -// CH4 + CH = C2H4 + H 3.0E13 0.000 -400 0.0 0.0 0.0 - CH3 + CH2 = C2H4 + H 4.2E13 0.000 0 0.0 0.0 0.0 - CH3 + CH2(S) = C2H4 + H 2.0E13 0.000 0 0.0 0.0 0.0 - - C2H4 + O = CH3 + HCO 3.9E12 0.000 1494 0.0 0.0 0.0 - DUPLICATE - C2H4 + O = CH3 + HCO 6.2E13 0.000 6855 0.0 0.0 0.0 - DUPLICATE - - C2H4 + O = CH2CHO + H 1.7E12 0.000 1494 0.0 0.0 0.0 - DUPLICATE - C2H4 + O = CH2CHO + H 2.8E13 0.000 6855 0.0 0.0 0.0 - DUPLICATE - -// RMG doesn't like this rate; I replaced it with NIST -// C2H4 + OH = C2H3 + H2O 1.3E-1 4.200 -860 0.0 0.0 0.0 -C2H4 + OH = C2H3 + H2O 5.4E07 1.8 4166 0.0 0.0 0.0 - -// Alternative fit to 60 atm,600-900K with no duplicate -// fit to 60 atm,600-900K -// C2H4 + OH = CH2CH2OH 2.4E20 -2.399 3294 0.0 0.0 0.0 - - C2H4 + HO2 = cC2H4O + OH 2.2E12 0.000 17200 0.0 0.0 0.0 - C2H4 + O2 = C2H3 + HO2 7.1E13 0.000 60010 0.0 0.0 0.0 - C2H4 + CH3 = C2H3 + CH4 6.0E07 1.560 16630 0.0 0.0 0.0 - - C2H3 + H = C2H2 + H2 4.5E13 0.000 0 0.0 0.0 0.0 -// CH3 + CH = C2H3 + H 3.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + O = CH2CO + H 3.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + OH = C2H2 + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - - C2H3 + HO2 = CH2CHO + OH 3.0E13 0.000 0 0.0 0.0 0.0 -// PM 60 bar -// RMG dislikes; cfg replaced w mclin -// C2H3 + O2 = CH2CHOO 1.1E12 0.000 -1680 0.0 0.0 0.0 -// C.F.Goldsmith replaced the above rate expression from Glarborg with the following rate expression from -// A. M. Mebel, E. W. G. Diau, M. C. Lin, and K. Morokuma J. Am. Chem. Soc. 1996, 118, 9759-9771 http://dx.doi.org/10.1021/ja961476e - C2H3 + O2 = CH2CHOO 3.0E36 -8.0 5680 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2O + HCO 6.3E12 0.000 3130 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2CHO + O 4.8E12 0.000 4800 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = C2H2 + HO2 7.6E11 0.000 7930 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH3O + CO 2.8E11 0.000 3130 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH3 + CO2 1.3E10 0.000 3130 0.0 0.0 0.0 - - - C2H3 + CH2O = C2H4 + HCO 5.4E03 2.810 5860 0.0 0.0 0.0 - C2H3 + HCO = C2H4 + CO 9.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + CH3 = C2H2 + CH4 2.1E13 0.000 0 0.0 0.0 0.0 -// C2H3 + CH = CH2 + C2H2 5.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + C2H3 = C2H4 + C2H2 1.5E13 0.000 0 0.0 0.0 0.0 - C2H3 + C2H = C2H2 + C2H2 3.0E13 0.000 0 0.0 0.0 0.0 - -// CH3 + C = C2H2 + H 5.0E13 0.000 0 0.0 0.0 0.0 -// CH2 + CH = C2H2 + H 4.0E13 0.000 0 0.0 0.0 0.0 - CH2 + CH2 = C2H2 + H + H 3.2E13 0.000 0 0.0 0.0 0.0 -//CH2 + CH2 = C2H2 + H + H 4.0E13 0.000 0 0.0 0.0 0.0 - - C2H2 + O = HCCO + H 1.4E07 2.000 1900 0.0 0.0 0.0 - C2H2 + O = CH2 + CO 6.1E06 2.000 1900 0.0 0.0 0.0 - C2H2 + O = C2H + OH 3.2E15 -0.600 15000 0.0 0.0 0.0 - C2H2 + HO2 = CH2O + HCO 3.0E12 0.000 10000 0.0 0.0 0.0 - C2H2 + HO2 = CH2CHO + O 3.0E12 0.000 10000 0.0 0.0 0.0 - C2H2 + O2 = HCO + HCO 7.0E07 1.800 30600 0.0 0.0 0.0 - C2H2 + CH2(S) = C2H2 + CH2 4.0E13 0.000 0 0.0 0.0 0.0 - - H2CC = C2H2 1.0E07 0.000 0 0.0 0.0 0.0 - H2CC + H = C2H2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - H2CC + OH = CH2CO + H 2.0E13 0.000 0 0.0 0.0 0.0 - H2CC + O2 = CH2 + CO2 1.0E13 0.000 0 0.0 0.0 0.0 - - C2 + H2 = C2H + H 4.0E05 2.40 1000 0.0 0.0 0.0 -// CH2 + C = C2H + H 5.0E13 0.000 0 0.0 0.0 0.0 -// C2H + O = CH + CO 5.0E13 0.000 0 0.0 0.0 0.0 - C2H + OH = HCCO + H 2.0E13 0.000 0 0.0 0.0 0.0 - C2H + OH = C2 + H2O 4.0E07 2.000 8000 0.0 0.0 0.0 - C2H + H2 = C2H2 + H 4.1E05 2.390 864 0.0 0.0 0.0 - C2H + O2 = CO + CO + H 4.7E13 -0.16 0 0.0 0.0 0.0 - C2H + CH4 = CH3 + C2H2 7.2E12 0.000 976 0.0 0.0 0.0 - - -// C2 + O = C + CO 1.0E14 0.000 0 0.0 0.0 0.0 - C2 + OH = C2O + H 5.0E13 0.000 0 0.0 0.0 0.0 - C2 + O2 = CO + CO 9.0E12 0.000 980 0.0 0.0 0.0 - - - CH3CH2OH + H = CH3CHOH + H2 2.6E07 1.650 2827 0.0 0.0 0.0 - CH3CH2OH + H = CH2CH2OH + H2 1.2E07 1.800 5098 0.0 0.0 0.0 - CH3CH2OH + H = CH3CH2O + H2 1.5E07 1.650 3038 0.0 0.0 0.0 - CH3CH2OH + O = CH3CHOH + OH 1.9E07 1.850 1824 0.0 0.0 0.0 - CH3CH2OH + O = CH2CH2OH + OH 9.4E07 1.700 5459 0.0 0.0 0.0 - CH3CH2OH + O = CH3CH2O + OH 1.6E07 2.000 4448 0.0 0.0 0.0 - CH3CH2OH + OH = CH3CHOH + H2O 4.6E11 0.150 0 0.0 0.0 0.0 - CH3CH2OH + OH = CH2CH2OH + H2O 1.7E11 0.270 600 0.0 0.0 0.0 - CH3CH2OH + OH = CH3CH2O + H2O 7.5E11 0.300 1634 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH3CHOH + H2O2 8.2E03 2.550 10750 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH2CH2OH + H2O2 1.2E04 2.550 15750 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH3CH2O + H2O2 2.5E12 0.000 24000 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH3CHOH + CH4 7.3E02 2.990 7948 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH2CH2OH + CH4 2.2E02 3.180 9622 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH3CH2O + CH4 1.5E02 2.990 7649 0.0 0.0 0.0 - - CH3CHOH + O = CH3CHO + OH 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHOH + H = CH2OH + CH3 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CHOH + H = C2H4 + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CHOH + OH = CH3CHO + H2O 5.0E12 0.000 0 0.0 0.0 0.0 - CH3CHOH + HO2 = CH3CHO + OH + OH 4.0E13 0.000 0 0.0 0.0 0.0 - - CH3CHOH + O2 = CH3CHO + HO2 8.4E15 -1.200 0 0.0 0.0 0.0 - DUPLICATE - CH3CHOH + O2 = CH3CHO + HO2 4.8E14 0.000 5017 0.0 0.0 0.0 - DUPLICATE - - CH2CH2OH = CH2CHOH + H 2.2E05 2.840 32920 0.0 0.0 0.0 - CH3CH2O = CH2CH2OH 2.8E-29 11.900 4450 0.0 0.0 0.0 - CH2CH2OH + H = CH3 + CH2OH 1.0E14 0.000 0 0.0 0.0 0.0 - - CH2CH2OH + O = CH2O + CH2OH 4.0E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + O = HOCH2CHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + OH = CH2CHOH + H2O 2.4E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + OH = HOCH2CHOH 3.3E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + HO2 = CH3CH2OH + O2 1.0E12 0.000 0 0.0 0.0 0.0 - CH2CH2OH + HO2 => CH2OH + CH2O + OH 3.0E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + HO2 = HOCH2CH2O + OH 3.0E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + O2 = CH2CHOH + HO2 1.4E07 1.090 -1975 0.0 0.0 0.0 - - CH3CH2O = CH3CHO + H 1.3E13 0.000 20060 0.0 0.0 0.0 - CH3CH2O + H = CH3CHO + H2 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CH2O + OH = CH3CHO + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CH2O + O2 = CH3CHO + HO2 1.5E10 0.000 645 0.0 0.0 0.0 - CH3CH2O + CO = C2H5 + CO2 9.5E25 -4.930 9080 0.0 0.0 0.0 - - - CH3CHO + H = CH3CO + H2 4.7E13 -0.350 3000 0.0 0.0 0.0 - CH3CHO + H = CH2CHO + H2 1.9E12 0.400 5359 0.0 0.0 0.0 - CH3CHO + O = CH3CO + OH 1.8E18 -1.900 2975 0.0 0.0 0.0 - CH3CHO + O = CH2CHO + OH 3.7E13 -0.200 3556 0.0 0.0 0.0 - CH3CHO + OH = CH3CO + H2O 2.4E11 0.300 -1000 0.0 0.0 0.0 - CH3CHO + OH = CH2CHO + H2O 3.0E13 -0.600 800 0.0 0.0 0.0 - CH3CHO + HO2 = CH3CO + H2O2 2.4E19 -2.200 14030 0.0 0.0 0.0 - CH3CHO + HO2 = CH2CHO + H2O2 2.3E11 0.400 14864 0.0 0.0 0.0 - CH3CHO + O2 = CH3CO + HO2 1.2E05 2.500 37554 0.0 0.0 0.0 - CH3CHO + CH3 = CH3CO + CH4 3.9E-07 5.800 2200 0.0 0.0 0.0 - CH3CHO + CH3 = CH2CHO + CH4 2.5E01 3.150 5727 0.0 0.0 0.0 - - cC2H4O = CH2CHO + H 1.8E13 0.200 71780 0.0 0.0 0.0 - cC2H4O = CH3 + HCO 5.6E13 0.400 61880 0.0 0.0 0.0 - cC2H4O = CH3CO + H 2.4E13 0.250 65310 0.0 0.0 0.0 - cC2H4O = CH2CO + H2 3.6E12 -0.200 63030 0.0 0.0 0.0 - cC2H4O = CH3CHO 3.2E12 -0.750 46424 0.0 0.0 0.0 - cC2H4O = C2H2 + H2O 7.6E12 0.060 69530 0.0 0.0 0.0 -//cC2H4O + H = CH3CHO + H 5.6E13 0.000 10950 0.0 0.0 0.0 - cC2H4O + H = cC2H3O + H2 2.0E13 0.000 8310 0.0 0.0 0.0 - cC2H4O + H = C2H3 + H2O 5.0E09 0.000 5000 0.0 0.0 0.0 - cC2H4O + H = C2H4 + OH 9.5E10 0.000 5000 0.0 0.0 0.0 - cC2H4O + O = cC2H3O + OH 1.9E12 0.000 5250 0.0 0.0 0.0 - cC2H4O + OH = cC2H3O + H2O 1.8E13 0.000 3610 0.0 0.0 0.0 - cC2H4O + HO2 = cC2H3O + H2O2 4.0E12 0.000 17000 0.0 0.0 0.0 - cC2H4O + O2 = cC2H3O + HO2 4.0E13 0.000 61500 0.0 0.0 0.0 - cC2H4O + CH3 = cC2H3O + CH4 1.1E12 0.000 11830 0.0 0.0 0.0 - - CH2CHOH + H = CHCHOH + H2 2.4E02 3.630 11266 0.0 0.0 0.0 - CH2CHOH + H = CH2CHO + H2 1.5E07 1.700 3000 0.0 0.0 0.0 - - CH2CHOH + O = CH2OH + HCO 3.9E12 0.000 1494 0.0 0.0 0.0 - DUPLICATE - CH2CHOH + O = CH2OH + HCO 6.2E13 0.000 6855 0.0 0.0 0.0 - DUPLICATE - - CH2CHOH + O = CH2CHO + OH 1.6E07 2.000 4400 0.0 0.0 0.0 - CH2CHOH + OH = CHCHOH + H2O 1.3E-1 4.200 -860 0.0 0.0 0.0 - CH2CHOH + OH = CH2CHO + H2O 7.5E11 0.300 1600 0.0 0.0 0.0 - CH2CHOH + O2 => CH2O + HCO + OH 3.5E07 1.800 39000 0.0 0.0 0.0 - - CHCHOH + H = CH2CHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CHCHOH + O = OCHCHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CHCHOH + O2 = HCCOH + HO2 1.4E02 3.400 3700 0.0 0.0 0.0 -//#CHCHOH + O2 = OCHCHO + OH 2.5E12 0.000 0 0.0 0.0 0.0 - - cC2H3O = CH2CHO 8.7E31 -6.900 14994 0.0 0.0 0.0 - cC2H3O = CH2CO + H 5.0E13 0.000 14863 0.0 0.0 0.0 - cC2H3O = CH3 + CO 7.1E12 0.000 14280 0.0 0.0 0.0 - - - CH2CHO + H = CH3 + HCO 1.0E14 0.000 0 0.0 0.0 0.0 - CH2CHO + H = CH3CO + H 3.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + H = CH2CO + H2 2.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + O = CH2CO + OH 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + OH = CH2CO + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + OH = CH2OH + HCO 1.0E13 0.000 0 0.0 0.0 0.0 - -//#CH2CHO + O2 = OCHCHO + OH 2.2E11 0.000 1500 0.0 0.0 0.0 - CH2CHO + CH3 = C2H5 + CO + H 4.9E14 -0.500 0 0.0 0.0 0.0 - CH2CHO + HO2 = CH2O + HCO + OH 7.0E12 -0.500 0 0.0 0.0 0.0 - CH2CHO + HO2 = CH3CHO + O2 3.0E12 -0.500 0 0.0 0.0 0.0 - CH2CHO + CH2 = C2H4 + HCO 5.0E13 0.000 0 0.0 0.0 0.0 -// CH2CHO + CH = C2H3 + HCO 1.0E14 0.000 0 0.0 0.0 0.0 - - - CH2CO + H = CH3CO 2.3E08 1.610 2627 0.0 0.0 0.0 - CH3CO + H = CH3 + HCO 2.1E13 0.000 0 0.0 0.0 0.0 - CH3CO + H = CH2CO + H2 1.2E13 0.000 0 0.0 0.0 0.0 - CH3CO + O = CH3 + CO2 1.6E14 0.000 0 0.0 0.0 0.0 - CH3CO + O = CH2CO + OH 5.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + OH = CH2CO + H2O 1.2E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3OO = CH3 + CO2 + CH3O 2.4E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3 = C2H6 + CO 3.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3 = CH2CO + CH4 5.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + O2 = CH2O + CO + OH 1.9E12 0.000 0 0.0 0.0 0.0 - - CH2CO + H = CH3 + CO 3.3E10 0.851 2840 0.0 0.0 0.0 - CH2CO + H = HCCO + H2 3.0E07 2.000 10000 0.0 0.0 0.0 -// CH + CH2O = CH2CO + H 9.5E13 0.000 -517 0.0 0.0 0.0 - CH2CO + O = CO2 + CH2 1.8E12 0.000 1350 0.0 0.0 0.0 - CH2CO + O = HCCO + OH 2.0E07 2.000 10000 0.0 0.0 0.0 - CH2CO + OH = CH2OH + CO 1.0E12 0.000 -1013 0.0 0.0 0.0 - CH2CO + OH = CH3 + CO2 6.7E11 0.000 -1013 0.0 0.0 0.0 - CH2CO + OH = HCCO + H2O 1.0E07 2.000 3000 0.0 0.0 0.0 - CH2CO + CH2(S) = C2H4 + CO 1.6E14 0.000 0 0.0 0.0 0.0 - - HCCOH + H = HCCO + H2 3.0E07 2.000 1000 0.0 0.0 0.0 - HCCOH + O = HCCO + OH 2.0E07 2.000 1900 0.0 0.0 0.0 - HCCOH + OH = HCCO + H2O 1.0E07 2.000 1000 0.0 0.0 0.0 - - - HCCO + H = CH2(S) + CO 1.5E14 0.000 0 0.0 0.0 0.0 - HCCO + O = CO + CO + H 1.0E14 0.000 0 0.0 0.0 0.0 - HCCO + OH = HCO + HCO 1.0E13 0.000 0 0.0 0.0 0.0 - HCCO + OH = C2O + H2O 6.0E13 0.000 0 0.0 0.0 0.0 - HCCO + O2 = CO2 + CO + H 4.9E12 -0.142 1150 0.0 0.0 0.0 - HCCO + O2 = CO + CO + OH 1.6E11 -0.020 1020 0.0 0.0 0.0 - HCCO + O2 = HCO + CO + O 2.2E02 2.690 3540 0.0 0.0 0.0 - HCCO + CH2 = C2H3 + CO 3.0E13 0.000 0 0.0 0.0 0.0 -// HCCO + CH = C2H2 + CO 5.0E13 0.000 0 0.0 0.0 0.0 - HCCO + HCCO = C2H2 + CO + CO 1.0E13 0.000 0 0.0 0.0 0.0 - - - -// C2O + H = CH + CO 1.3E13 0.000 0 0.0 0.0 0.0 - C2O + O = CO + CO 5.2E13 0.000 0 0.0 0.0 0.0 - C2O + OH = CO + CO + H 2.0E13 0.000 0 0.0 0.0 0.0 - C2O + O2 = CO + CO + O 1.0E13 0.000 2600 0.0 0.0 0.0 - C2O + O2 = CO + CO2 1.0E13 0.000 2600 0.0 0.0 0.0 - -// C2O + C = CO + C2 1.0E14 0.000 0 0.0 0.0 0.0 - - - CH3CH2OOH + H = CH3CHO + OH + H2 6.5E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + H = CH3CH2OO + H2 4.3E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + H = CH3CH2O + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + O = CH3CHO + OH + OH 1.6E13 0.000 4750 0.0 0.0 0.0 - CH3CH2OOH + O = CH3CH2OO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH3CH2OOH + OH = CH3CHO + OH + H2O 7.2E11 0.000 -258 0.0 0.0 0.0 - CH3CH2OOH + OH = CH3CH2OO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH3CH2OOH + HO2 = CH3CH2OO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - - - CH3CH2OO + H = CH3CH2O + OH 9.6E13 0.000 0 0.0 0.0 0.0 - CH3CH2OO + O = CH3CH2O + O2 1.6E13 0.000 -145 0.0 0.0 0.0 - CH3CH2OO + OH = CH3CH2OH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH3CH2OO + OH = CH3CH2O + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH3CH2OO + HO2 = CH3CH2OOH + O2 4.5E11 0.000 -1391 0.0 0.0 0.0 - CH3CH2OO + CO = CH3CH2O + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH3CH2OO + CH3 = CH3CH2O + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3CH2OO + CH4 = CH3CH2OOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH3CH2OO + CH3OH = CH3CH2OOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH3CH2OO + CH2O = CH3CH2OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH3CH2OO + C2H5 = CH3CH2O + CH3CH2O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3CH2OO + C2H6 = CH3CH2OOH + C2H5 8.6E00 3.760 17200 0.0 0.0 0.0 - CH3CH2OO + CH3CHO = CH3CH2OOH + CH3CO 2.4E19 -2.200 14030 0.0 0.0 0.0 - CH3CH2OO + CH3CHO = CH3CH2OOH + CH2CHO 2.3E11 0.400 14864 0.0 0.0 0.0 - CH3CH2OO + CH3CH2OO = CH3CH2O + CH3CH2O + O2 2.9E11 -0.270 408 0.0 0.0 0.0 - CH3CH2OO + CH3CH2OO = CH3CHO + CH3CH2OH + O2 4.3E09 0.000 -850 0.0 0.0 0.0 - - CH2CH2OOH = cC2H4O + OH 1.3E10 0.720 15380 0.0 0.0 0.0 - CH2CH2OOH = CH3CH2OO 1.2E07 1.040 17980 0.0 0.0 0.0 - CH2CH2OOH = C2H4 + HO2 1.3E11 0.520 16150 0.0 0.0 0.0 - - CH2CHOOH + H = CH2CHOO + H2 4.3E10 0.000 1860 0.0 0.0 0.0 - CH2CHOOH + H = CH2CHO + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH2CHOOH + O = CH2CHOO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH2CHOOH + OH = CH2CHOO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH2CHOOH + HO2 = CH2CHOO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - -// 100 atm - CH2CHOO = C2H2 + HO2 9.6E48 -8.868 110591 0.0 0.0 0.0 -// 100 atm - CH2CHOO = CH2O + HCO 3.1E47 -8.701 111046 0.0 0.0 0.0 -// 60atm, 6-900K fit -// CH2CHOO = CYCOOC. 3.9E09 0.000 22250 0.0 0.0 0.0 -// 100 atm -//CH2CHOO = CYCOOC. 1.1E19 -2.782 26427 0.0 0.0 0.0 - - CH2CHOO + H = CH2CHO + OH 9.6E13 0.000 0 0.0 0.0 0.0 - CH2CHOO + O = CH2CHO + O2 1.6E13 0.000 -145 0.0 0.0 0.0 - CH2CHOO + OH = CH2CHOH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH2CHOO + OH = CH2CHO + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH2CHOO + HO2 = CH2CHOOH + O2 4.5E11 0.000 -1391 0.0 0.0 0.0 - CH2CHOO + CO = CH2CHO + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH2CHOO + CH3 = CH2CHO + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH2CHOO + CH4 = CH2CHOOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH2CHOO + CH3OH = CH2CHOOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH2CHOO + CH2O = CH2CHOOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH2CHOO + C2H6 = CH2CHOOH + C2H5 8.6E00 3.760 17200 0.0 0.0 0.0 - -// 60atm, 6-900K fit -// CYCOOC. = CH2O + HCO 6.1E10 0.000 914 0.0 0.0 0.0 -// meohcys4e (100 atm) -// CYCOOC. = OCHCHO + H 1.6E13 -1.093 3159 0.0 0.0 0.0 - - - - OCHCHO + H = CH2O + HCO 3.0E13 0.000 0 0.0 0.0 0.0 - OCHCHO + OH = HCO + CO + H2O 6.6E12 0.000 0 0.0 0.0 0.0 - -// HOCH2CH2OO = CH2O + CH2O + OH 9.4E08 0.994 22250 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 = HOCH2CH2OOH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 => HOCH2CH2O + OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 => CH2O + CH2OH + OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -// HOCH2CH2OO + HO2 => CH2O + OH + CH2OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + CH2O => HOCH2CH2OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -//HOCH2CH2OO + CH2O => CH2O + CH2OH + OH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -// HOCH2CH2OO + CH2O => CH2O + OH + CH2OH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -//HOCH2CH2OO + C2H4 => HOCH2CH2O + CH3CHO 2.2E12 0.000 17200 0.0 0.0 0.0 -// HOCH2CH2OO + C2H4 => CH2O + CH2OH + CH3CHO 2.2E12 0.000 17200 0.0 0.0 0.0 - - - - - - diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C2/scrap.py b/output/RMG_database/kinetics_libraries/Glarborg/C2/scrap.py deleted file mode 100755 index eed523ab1d..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C2/scrap.py +++ /dev/null @@ -1,41 +0,0 @@ -#! /usr/bin/env python -import re, os -import getopt, sys, subprocess -import shutil - - -# defaults -settings=dict(nproc=2, memory='500MB') - -try: - opts, args = getopt.getopt(sys.argv[1:], "hvn:st:", ["help", "nproc=", "saveonly", "template="]) -except getopt.GetoptError, err: - # print help information and exit: - print str(err) # will print something like "option -a not recognized" - usage() - sys.exit(2) - - # OK, now we get to the part where I know what's going on. - # for each file supplied at the command line, do the following - -searchExpression1=re.compile(" ! ") -searchExpression2=re.compile(" !") -for filename in args: - - (fileroot,filextension) = os.path.splitext(filename) - - print fileroot - - fin=open(filename,'r') - com=fin.read() - fin.close - - replaceme = ('DUPLICATE') #RAS07 ING/BOZ03 - - - com = com.replace(replaceme, ' // DUPLICATE ') - - name = filename - fout=open(name,'w') - fout.write(com) - fout.close diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C2/species.light b/output/RMG_database/kinetics_libraries/Glarborg/C2/species.light deleted file mode 100755 index 6779accb21..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C2/species.light +++ /dev/null @@ -1,287 +0,0 @@ -/// H,O species - -H -1 H 1 - - -O -1 O 2T - -OH -1 O 1 {2,S} -2 H 0 {1,S} - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - - -HO2 -1 O 0 {2,S} {3,S} -2 O 1 {1,S} -3 H 0 {1,S} - -H2O -1 O 0 {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -H2O2 -1 O 0 {2,S} -2 O 0 {1,S} - -// CO species - -CO -1 C 2T {2,D} -2 O 0 {1,D} - -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -HOCO -1 C 1 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} - -// C1 species - -CH4 -1 C 0 - -CH3 -1 C 1 - - -CH2 -1 C 2T - -//CH2(S) -//1 C 2S - - -//CH -//1 C 3 - -//C -//1 C 4 - -//---------------------- - -CH3OH -1 C 0 {2,S} -2 O 0 {1,S} - -CH3O -1 O 1 {2,S} -2 C 0 {1,S} - - -CH2OH -1 C 1 {2,S} -2 O 0 {1,S} - -CH2O -1 C 0 {2,D} -2 O 0 {1,D} - -HCO -1 C 1 {2,D} -2 O 0 {1,D} - -//----------------------- - -CH3OOH -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} - -CH3OO -1 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} - -//CH2OOH -//1 C 1 {2,S} -//2 O 0 {1,S} {3,S} -//3 O 0 {2,S} - - -// C2 species - -C2H6 -1 C 0 {2,S} -2 C 0 {1,S} - - -C2H5 -1 C 1 {2,S} -2 C 0 {1,S} - -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - -C2H3 -1 C 1 {2,D} -2 C 0 {1,D} - - -C2H2 -1 C 0 {2,T} -2 C 0 {1,T} - -H2CC -1 C 2 {2,D} -2 C 0 {1,D} - -C2H -1 C 1 {2,T} -2 C 0 {1,T} - -C2 -1 C 1 {2,T} -2 C 1 {1,T} - -//---------------------------- - -CH3CH2OH -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} - -CH3CH2O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 1 {2,S} - -CH3CHOH -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 O 0 {2,S} - -CH2CH2OH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} - -CH3CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -cC2H4O -1 C 0 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 O 0 {1,S} {2,S} - - -//-------------------- - -CH2CHOH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} - -CHCHOH -1 C 1 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} - -cC2H3O -1 C 1 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 O 0 {1,S} {2,S} - -HCCOH -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 O 0 {2,S} - -CH3CO -1 C 0 {2,S} -2 C 1 {1,S} {3,D} -3 O 0 {2,D} - -CH2CHO -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -CH2CO -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -HCCO -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -C2O -1 C 2T {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -OCHCHO -1 O 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -// ---------------------- - -CH3CH2OOH -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -CH3CH2OO -1 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - - -//CH3CHOOH -//1 O 0 {2,S} -//2 O 0 {1,S} {3,S} -//3 C 1 {2,S} {4,S} -//4 C 0 {3,S} - - -CH2CH2OOH -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} - -CH2CHOOH -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - -CH2CHOO -1 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - -// what is this?!? -//CYCOOC. - -//HOCH2CH2OO -//1 O 1 {2,S} -//2 O 0 {1,S} {3,S} -//3 C 0 {2,S} {4,S} -//4 C 0 {3,S} {5,S} -//5 O 0 {4,S} - diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C2/species.txt b/output/RMG_database/kinetics_libraries/Glarborg/C2/species.txt deleted file mode 100755 index 8bd46bae03..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C2/species.txt +++ /dev/null @@ -1,287 +0,0 @@ -/// H,O species - -H -1 H 1 - - -O -1 O 2T - -OH -1 O 1 {2,S} -2 H 0 {1,S} - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - - -HO2 -1 O 0 {2,S} {3,S} -2 O 1 {1,S} -3 H 0 {1,S} - -H2O -1 O 0 {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -H2O2 -1 O 0 {2,S} -2 O 0 {1,S} - -// CO species - -CO -1 C 2T {2,D} -2 O 0 {1,D} - -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -HOCO -1 C 1 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} - -// C1 species - -CH4 -1 C 0 - -CH3 -1 C 1 - - -CH2 -1 C 2T - -CH2(S) -1 C 2S - - -//CH -//1 C 3 - -//C -//1 C 4 - -//---------------------- - -CH3OH -1 C 0 {2,S} -2 O 0 {1,S} - -CH3O -1 O 1 {2,S} -2 C 0 {1,S} - - -CH2OH -1 C 1 {2,S} -2 O 0 {1,S} - -CH2O -1 C 0 {2,D} -2 O 0 {1,D} - -HCO -1 C 1 {2,D} -2 O 0 {1,D} - -//----------------------- - -CH3OOH -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} - -CH3OO -1 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} - -//CH2OOH -//1 C 1 {2,S} -//2 O 0 {1,S} {3,S} -//3 O 0 {2,S} - - -// C2 species - -C2H6 -1 C 0 {2,S} -2 C 0 {1,S} - - -C2H5 -1 C 1 {2,S} -2 C 0 {1,S} - -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - -C2H3 -1 C 1 {2,D} -2 C 0 {1,D} - - -C2H2 -1 C 0 {2,T} -2 C 0 {1,T} - -H2CC -1 C 2 {2,D} -2 C 0 {1,D} - -C2H -1 C 1 {2,T} -2 C 0 {1,T} - -C2 -1 C 1 {2,T} -2 C 1 {1,T} - -//---------------------------- - -CH3CH2OH -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} - -CH3CH2O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 1 {2,S} - -CH3CHOH -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 O 0 {2,S} - -CH2CH2OH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} - -CH3CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -cC2H4O -1 C 0 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 O 0 {1,S} {2,S} - - -//-------------------- - -CH2CHOH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} - -CHCHOH -1 C 1 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} - -cC2H3O -1 C 1 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 O 0 {1,S} {2,S} - -HCCOH -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 O 0 {2,S} - -CH3CO -1 C 0 {2,S} -2 C 1 {1,S} {3,D} -3 O 0 {2,D} - -CH2CHO -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -CH2CO -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -HCCO -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -C2O -1 C 2T {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -OCHCHO -1 O 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -// ---------------------- - -CH3CH2OOH -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -CH3CH2OO -1 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - - -//CH3CHOOH -//1 O 0 {2,S} -//2 O 0 {1,S} {3,S} -//3 C 1 {2,S} {4,S} -//4 C 0 {3,S} - - -CH2CH2OOH -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} - -CH2CHOOH -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - -CH2CHOO -1 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - -// what is this?!? -//CYCOOC. - -//HOCH2CH2OO -//1 O 1 {2,S} -//2 O 0 {1,S} {3,S} -//3 C 0 {2,S} {4,S} -//4 C 0 {3,S} {5,S} -//5 O 0 {4,S} - diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C3/bla.txt b/output/RMG_database/kinetics_libraries/Glarborg/C3/bla.txt deleted file mode 100644 index 77779b6202..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C3/bla.txt +++ /dev/null @@ -1,1140 +0,0 @@ -// CFG - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - - - -// Glarborg, -// -// ***************************************************************************** -// H2/O2 subset * -// ***************************************************************************** -// - - H + O2 = O + OH 3.6E15 -0.410 16600 0.0 0.0 0.0 - - - H + H + H2 = H2 + H2 1.0E17 -0.600 0 0.0 0.0 0.0 - H + H + H2O = H2 + H2O 1.0E19 -1.000 0 0.0 0.0 0.0 - - O + H2 = OH + H 3.8E12 0.000 7948 0.0 0.0 0.0 - // DUPLICATE - O + H2 = OH + H 8.8E14 0.000 19175 0.0 0.0 0.0 - // DUPLICATE - - OH + OH = O + H2O 4.3E03 2.700 -1822 0.0 0.0 0.0 - - - OH + H2 = H + H2O 2.1E08 1.520 3449 0.0 0.0 0.0 - H2 + O2 = HO2 + H 7.4E05 2.433 53502 0.0 0.0 0.0 - HO2 + H = OH + OH 8.4E13 0.000 400 0.0 0.0 0.0 - HO2 + H = H2O + O 1.4E12 0.000 0 0.0 0.0 0.0 - HO2 + O = OH + O2 1.6E13 0.000 -445 0.0 0.0 0.0 - - HO2 + OH = H2O + O2 3.6E21 -2.100 9000 0.0 0.0 0.0 - // DUPLICATE - HO2 + OH = H2O + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - // DUPLICATE -// HO2 + OH = H2O + O2 -2.2E96 -24.000 49000 0.0 0.0 0.0 - // DUPLICATE - - HO2 + HO2 = H2O2 + O2 1.9E11 0.000 -1408 0.0 0.0 0.0 - // DUPLICATE - HO2 + HO2 = H2O2 + O2 1.0E14 0.000 11034 0.0 0.0 0.0 - // DUPLICATE - - H2O2 + H = H2O + OH 1.0E13 0.000 3580 0.0 0.0 0.0 - H2O2 + H = HO2 + H2 1.7E12 0.000 3760 0.0 0.0 0.0 - H2O2 + O = HO2 + OH 9.6E06 2.000 3970 0.0 0.0 0.0 - - H2O2 + OH = H2O + HO2 1.9E12 0.000 427 0.0 0.0 0.0 - // DUPLICATE - H2O2 + OH = H2O + HO2 1.6E18 0.000 29410 0.0 0.0 0.0 - // DUPLICATE - -// -// ***************************************************************************** -// CO/CO2 subset * -// ***************************************************************************** -// - - - CO + O2 = CO2 + O 4.7E12 0.000 60500 0.0 0.0 0.0 - CO + HO2 = CO2 + OH 1.6E05 2.180 17943 0.0 0.0 0.0 -// (0.001 bar, 300 CH2O + OH 2.4E12 -0.925 1567 0.0 0.0 0.0 -// 10 atm -//CH2OOH => CH2O + OH 2.5E13 -0.927 1579 0.0 0.0 0.0 -// 100 atm -//CH2OOH => CH2O + OH 7.0E14 -1.064 1744 0.0 0.0 0.0 - - - -// -// ***************************************************************************** -// C2 subset * -// ***************************************************************************** -// - - C2H6 + H = C2H5 + H2 9.8E13 0.000 9220 0.0 0.0 0.0 - C2H6 + O = C2H5 + OH 1.1E-07 6.500 274 0.0 0.0 0.0 - C2H6 + OH = C2H5 + H2O 9.2E06 2.000 990 0.0 0.0 0.0 - C2H6 + HO2 = C2H5 + H2O2 1.1E05 2.500 16850 0.0 0.0 0.0 - C2H6 + O2 = C2H5 + HO2 7.3E05 2.500 49160 0.0 0.0 0.0 - - C2H6 + CH3 = C2H5 + CH4 5.6E10 0.000 9418 0.0 0.0 0.0 - // DUPLICATE - C2H6 + CH3 = C2H5 + CH4 8.4E14 0.000 22250 0.0 0.0 0.0 - // DUPLICATE - - C2H6 + CH2(S) = C2H5 + CH3 1.2E14 0.000 0 0.0 0.0 0.0 - - C2H5 + O = CH3 + CH2O 4.2E13 0.000 0 0.0 0.0 0.0 - C2H5 + O = CH3CHO + H 5.3E13 0.000 0 0.0 0.0 0.0 - C2H5 + O = C2H4 + OH 3.1E13 0.000 0 0.0 0.0 0.0 - C2H5 + OH = C2H4 + H2O 2.4E13 0.000 0 0.0 0.0 0.0 - C2H5 + HO2 = CH3CH2O + OH 3.1E13 0.000 0 0.0 0.0 0.0 - - C2H5 + O2 = C2H4 + HO2 1.4E07 1.090 -1975 0.0 0.0 0.0 - - C2H5 + CH2O = C2H6 + HCO 5.5E03 2.810 5860 0.0 0.0 0.0 - C2H5 + HCO = C2H6 + CO 4.3E13 0.000 0 0.0 0.0 0.0 -//C2H5 + HCO = C2H6 + CO 1.2E14 0.000 0 0.0 0.0 0.0 - C2H5 + CH3 = C2H4 + CH4 9.0E11 0.000 0 0.0 0.0 0.0 - C2H5 + C2H5 = C2H6 + C2H4 1.5E12 0.000 0 0.0 0.0 0.0 - - C2H4 + H = C2H3 + H2 2.4E02 3.620 11266 0.0 0.0 0.0 -// CH4 + CH = C2H4 + H 3.0E13 0.000 -400 0.0 0.0 0.0 - CH3 + CH2 = C2H4 + H 4.2E13 0.000 0 0.0 0.0 0.0 - CH3 + CH2(S) = C2H4 + H 2.0E13 0.000 0 0.0 0.0 0.0 - - C2H4 + O = CH3 + HCO 3.9E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - C2H4 + O = CH3 + HCO 6.2E13 0.000 6855 0.0 0.0 0.0 - // DUPLICATE - - C2H4 + O = CH2CHO + H 1.7E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - C2H4 + O = CH2CHO + H 2.8E13 0.000 6855 0.0 0.0 0.0 - // DUPLICATE - -// RMG doesn't like this rate; I replaced it with NIST -// C2H4 + OH = C2H3 + H2O 1.3E-1 4.200 -860 0.0 0.0 0.0 -C2H4 + OH = C2H3 + H2O 5.4E07 1.8 4166 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH3 + CH2O 1.8E06 1.680 2061 0.0 0.0 0.0 -// 10 atm -C2H4 + OH = CH3 + CH2O 2.4E09 0.560 6007 0.0 0.0 0.0 -// fit to 60 atm,600-900K -// C2H4 + OH = CH3 + CH2O 3.3E11 0.000 9079 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH3 + CH2O 2.8E13 -0.500 11455 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH3CHO + H 2.4E-2 3.910 1723 0.0 0.0 0.0 -// 10 atm -C2H4 + OH = CH3CHO + H 8.2E08 1.010 10507 0.0 0.0 0.0 -// fit to 60 atm,600-900K -// C2H4 + OH = CH3CHO + H 1.4E33 -6.114 24907 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH3CHO + H 6.8E09 0.810 13867 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH2CHOH + H 3.2E05 2.190 5256 0.0 0.0 0.0 -// 10 atm -C2H4 + OH = CH2CHOH + H 1.9E08 1.430 7829 0.0 0.0 0.0 -// fit to 60 atm,600-900K -// C2H4 + OH = CH2CHOH + H 1.7E13 0.000 11527 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH2CHOH + H 8.5E10 0.750 11491 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH2CH2OH 6.0E37 -8.140 8043 0.0 0.0 0.0 -// // DUPLICATE -//C2H4 + OH = CH2CH2OH 7.3E23 -6.910 2855 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H4 + OH = CH2CH2OH 6.0E37 -7.770 10736 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H4 + OH = CH2CH2OH 3.0E26 -4.870 2297 0.0 0.0 0.0 -// // DUPLICATE -//C2H4 + OH = CH2CH2OH 6.0E37 -7.440 14269 0.0 0.0 0.0 -// // DUPLICATE -// fit to 60 atm,600-900K -// C2H4 + OH = CH2CH2OH 2.4E20 -2.399 3294 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH2CH2OH 2.8E19 -2.410 1011 0.0 0.0 0.0 -// // DUPLICATE - - C2H4 + HO2 = cC2H4O + OH 2.2E12 0.000 17200 0.0 0.0 0.0 - C2H4 + O2 = C2H3 + HO2 7.1E13 0.000 60010 0.0 0.0 0.0 - C2H4 + CH3 = C2H3 + CH4 6.0E07 1.560 16630 0.0 0.0 0.0 - - C2H3 + H = C2H2 + H2 4.5E13 0.000 0 0.0 0.0 0.0 -// CH3 + CH = C2H3 + H 3.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + O = CH2CO + H 3.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + OH = C2H2 + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - - C2H3 + HO2 = CH2CHO + OH 3.0E13 0.000 0 0.0 0.0 0.0 -// PM 60 bar -// RMG dislikes; cfg replaced w mclin -// C2H3 + O2 = CH2CHOO 1.1E12 0.000 -1680 0.0 0.0 0.0 -// C.F.Goldsmith replaced the above rate expression from Glarborg with the following rate expression from -// A. M. Mebel, E. W. G. Diau, M. C. Lin, and K. Morokuma J. Am. Chem. Soc. 1996, 118, 9759-9771 http://dx.doi.org/10.1021/ja961476e - C2H3 + O2 = CH2CHOO 3.0E36 -8.0 5680 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2O + HCO 6.3E12 0.000 3130 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2CHO + O 4.8E12 0.000 4800 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = C2H2 + HO2 7.6E11 0.000 7930 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH3O + CO 2.8E11 0.000 3130 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH3 + CO2 1.3E10 0.000 3130 0.0 0.0 0.0 - - - C2H3 + CH2O = C2H4 + HCO 5.4E03 2.810 5860 0.0 0.0 0.0 - C2H3 + HCO = C2H4 + CO 9.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + CH3 = C2H2 + CH4 2.1E13 0.000 0 0.0 0.0 0.0 -// C2H3 + CH = CH2 + C2H2 5.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + C2H3 = C2H4 + C2H2 1.5E13 0.000 0 0.0 0.0 0.0 - C2H3 + C2H = C2H2 + C2H2 3.0E13 0.000 0 0.0 0.0 0.0 - -// CH3 + C = C2H2 + H 5.0E13 0.000 0 0.0 0.0 0.0 -// CH2 + CH = C2H2 + H 4.0E13 0.000 0 0.0 0.0 0.0 - CH2 + CH2 = C2H2 + H + H 3.2E13 0.000 0 0.0 0.0 0.0 -//CH2 + CH2 = C2H2 + H + H 4.0E13 0.000 0 0.0 0.0 0.0 - - C2H2 + O = HCCO + H 1.4E07 2.000 1900 0.0 0.0 0.0 - C2H2 + O = CH2 + CO 6.1E06 2.000 1900 0.0 0.0 0.0 - C2H2 + O = C2H + OH 3.2E15 -0.600 15000 0.0 0.0 0.0 - -// 1 atm -//C2H2 + OH = CH3 + CO 1.3E09 0.730 2579 0.0 0.0 0.0 -// 10 atm -C2H2 + OH = CH3 + CO 4.3E08 0.920 3736 0.0 0.0 0.0 -// 100 atm - C2H2 + OH = CH3 + CO 8.3E05 1.770 4697 0.0 0.0 0.0 - -// 1 atm -//C2H2 + OH = HCCOH + H 2.4E06 2.000 12713 0.0 0.0 0.0 -// 10 atm -C2H2 + OH = HCCOH + H 3.2E06 1.970 12810 0.0 0.0 0.0 -// 100 atm - C2H2 + OH = HCCOH + H 7.3E06 1.890 13603 0.0 0.0 0.0 - -// 1 atm -//C2H2 + OH = CHCHOH 1.9E44 -11.380 6299 0.0 0.0 0.0 -// // DUPLICATE -// 1 atm -//C2H2 + OH = CHCHOH 3.5E31 -6.200 6635 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H2 + OH = CHCHOH 1.5E24 -4.060 3261 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H2 + OH = CHCHOH 4.5E31 -5.920 8761 0.0 0.0 0.0 -// // DUPLICATE -// 100 atm -// C2H2 + OH = CHCHOH 6.2E20 -2.800 2831 0.0 0.0 0.0 - // DUPLICATE -// 100 atm -// C2H2 + OH = CHCHOH 1.6E29 -4.910 9734 0.0 0.0 0.0 - // DUPLICATE -// >>100 atm -//C2H2 + OH = CHCHOH 1.1E08 1.340 332 0.0 0.0 0.0 -// // DUPLICATE -// >>100 atm -//C2H2 + OH = CHCHOH 6.0E07 1.620 240 0.0 0.0 0.0 -// // DUPLICATE - -// 1 atm -//C2H2 + OH = CH2CO + H 7.5E06 1.550 2106 0.0 0.0 0.0 -// 10 atm -C2H2 + OH = CH2CO + H 5.1E06 1.650 3400 0.0 0.0 0.0 -// 100 atm - C2H2 + OH = CH2CO + H 1.5E04 2.450 4477 0.0 0.0 0.0 - - C2H2 + HO2 = CH2O + HCO 3.0E12 0.000 10000 0.0 0.0 0.0 - C2H2 + HO2 = CH2CHO + O 3.0E12 0.000 10000 0.0 0.0 0.0 - C2H2 + O2 = HCO + HCO 7.0E07 1.800 30600 0.0 0.0 0.0 - C2H2 + CH2(S) = C2H2 + CH2 4.0E13 0.000 0 0.0 0.0 0.0 - - H2CC = C2H2 1.0E07 0.000 0 0.0 0.0 0.0 - H2CC + H = C2H2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - H2CC + OH = CH2CO + H 2.0E13 0.000 0 0.0 0.0 0.0 - H2CC + O2 = CH2 + CO2 1.0E13 0.000 0 0.0 0.0 0.0 - - C2 + H2 = C2H + H 4.0E05 2.40 1000 0.0 0.0 0.0 -// CH2 + C = C2H + H 5.0E13 0.000 0 0.0 0.0 0.0 -// C2H + O = CH + CO 5.0E13 0.000 0 0.0 0.0 0.0 - C2H + OH = HCCO + H 2.0E13 0.000 0 0.0 0.0 0.0 - C2H + OH = C2 + H2O 4.0E07 2.000 8000 0.0 0.0 0.0 - C2H + H2 = C2H2 + H 4.1E05 2.390 864 0.0 0.0 0.0 - C2H + O2 = CO + CO + H 4.7E13 -0.16 0 0.0 0.0 0.0 - C2H + CH4 = CH3 + C2H2 7.2E12 0.000 976 0.0 0.0 0.0 - - -// C2 + O = C + CO 1.0E14 0.000 0 0.0 0.0 0.0 - C2 + OH = C2O + H 5.0E13 0.000 0 0.0 0.0 0.0 - C2 + O2 = CO + CO 9.0E12 0.000 980 0.0 0.0 0.0 - - - CH3CH2OH + H = CH3CHOH + H2 2.6E07 1.650 2827 0.0 0.0 0.0 - CH3CH2OH + H = CH2CH2OH + H2 1.2E07 1.800 5098 0.0 0.0 0.0 - CH3CH2OH + H = CH3CH2O + H2 1.5E07 1.650 3038 0.0 0.0 0.0 - CH3CH2OH + O = CH3CHOH + OH 1.9E07 1.850 1824 0.0 0.0 0.0 - CH3CH2OH + O = CH2CH2OH + OH 9.4E07 1.700 5459 0.0 0.0 0.0 - CH3CH2OH + O = CH3CH2O + OH 1.6E07 2.000 4448 0.0 0.0 0.0 - CH3CH2OH + OH = CH3CHOH + H2O 4.6E11 0.150 0 0.0 0.0 0.0 - CH3CH2OH + OH = CH2CH2OH + H2O 1.7E11 0.270 600 0.0 0.0 0.0 - CH3CH2OH + OH = CH3CH2O + H2O 7.5E11 0.300 1634 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH3CHOH + H2O2 8.2E03 2.550 10750 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH2CH2OH + H2O2 1.2E04 2.550 15750 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH3CH2O + H2O2 2.5E12 0.000 24000 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH3CHOH + CH4 7.3E02 2.990 7948 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH2CH2OH + CH4 2.2E02 3.180 9622 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH3CH2O + CH4 1.5E02 2.990 7649 0.0 0.0 0.0 - - CH3CHOH + O = CH3CHO + OH 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHOH + H = CH2OH + CH3 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CHOH + H = C2H4 + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CHOH + OH = CH3CHO + H2O 5.0E12 0.000 0 0.0 0.0 0.0 - CH3CHOH + HO2 = CH3CHO + OH + OH 4.0E13 0.000 0 0.0 0.0 0.0 - - CH3CHOH + O2 = CH3CHO + HO2 8.4E15 -1.200 0 0.0 0.0 0.0 - // DUPLICATE - CH3CHOH + O2 = CH3CHO + HO2 4.8E14 0.000 5017 0.0 0.0 0.0 - // DUPLICATE - - CH2CH2OH = CH2CHOH + H 2.2E05 2.840 32920 0.0 0.0 0.0 - CH3CH2O = CH2CH2OH 2.8E-29 11.900 4450 0.0 0.0 0.0 - CH2CH2OH + H = CH3 + CH2OH 1.0E14 0.000 0 0.0 0.0 0.0 - - CH2CH2OH + O = CH2O + CH2OH 4.0E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + O = HOCH2CHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + OH = CH2CHOH + H2O 2.4E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + OH = HOCH2CHOH 3.3E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + HO2 = CH3CH2OH + O2 1.0E12 0.000 0 0.0 0.0 0.0 - CH2CH2OH + HO2 => CH2OH + CH2O + OH 3.0E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + HO2 = HOCH2CH2O + OH 3.0E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + O2 = CH2CHOH + HO2 1.4E07 1.090 -1975 0.0 0.0 0.0 - - CH3CH2O = CH3CHO + H 1.3E13 0.000 20060 0.0 0.0 0.0 - CH3CH2O + H = CH3CHO + H2 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CH2O + OH = CH3CHO + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CH2O + O2 = CH3CHO + HO2 1.5E10 0.000 645 0.0 0.0 0.0 - CH3CH2O + CO = C2H5 + CO2 9.5E25 -4.930 9080 0.0 0.0 0.0 - - - CH3CHO + H = CH3CO + H2 4.7E13 -0.350 3000 0.0 0.0 0.0 - CH3CHO + H = CH2CHO + H2 1.9E12 0.400 5359 0.0 0.0 0.0 - CH3CHO + O = CH3CO + OH 1.8E18 -1.900 2975 0.0 0.0 0.0 - CH3CHO + O = CH2CHO + OH 3.7E13 -0.200 3556 0.0 0.0 0.0 - CH3CHO + OH = CH3CO + H2O 2.4E11 0.300 -1000 0.0 0.0 0.0 - CH3CHO + OH = CH2CHO + H2O 3.0E13 -0.600 800 0.0 0.0 0.0 - CH3CHO + HO2 = CH3CO + H2O2 2.4E19 -2.200 14030 0.0 0.0 0.0 - CH3CHO + HO2 = CH2CHO + H2O2 2.3E11 0.400 14864 0.0 0.0 0.0 - CH3CHO + O2 = CH3CO + HO2 1.2E05 2.500 37554 0.0 0.0 0.0 - CH3CHO + CH3 = CH3CO + CH4 3.9E-07 5.800 2200 0.0 0.0 0.0 - CH3CHO + CH3 = CH2CHO + CH4 2.5E01 3.150 5727 0.0 0.0 0.0 - - cC2H4O = CH2CHO + H 1.8E13 0.200 71780 0.0 0.0 0.0 - cC2H4O = CH3 + HCO 5.6E13 0.400 61880 0.0 0.0 0.0 - cC2H4O = CH3CO + H 2.4E13 0.250 65310 0.0 0.0 0.0 - cC2H4O = CH2CO + H2 3.6E12 -0.200 63030 0.0 0.0 0.0 - cC2H4O = CH3CHO 3.2E12 -0.750 46424 0.0 0.0 0.0 - cC2H4O = C2H2 + H2O 7.6E12 0.060 69530 0.0 0.0 0.0 -//cC2H4O + H = CH3CHO + H 5.6E13 0.000 10950 0.0 0.0 0.0 - cC2H4O + H = cC2H3O + H2 2.0E13 0.000 8310 0.0 0.0 0.0 - cC2H4O + H = C2H3 + H2O 5.0E09 0.000 5000 0.0 0.0 0.0 - cC2H4O + H = C2H4 + OH 9.5E10 0.000 5000 0.0 0.0 0.0 - cC2H4O + O = cC2H3O + OH 1.9E12 0.000 5250 0.0 0.0 0.0 - cC2H4O + OH = cC2H3O + H2O 1.8E13 0.000 3610 0.0 0.0 0.0 - cC2H4O + HO2 = cC2H3O + H2O2 4.0E12 0.000 17000 0.0 0.0 0.0 - cC2H4O + O2 = cC2H3O + HO2 4.0E13 0.000 61500 0.0 0.0 0.0 - cC2H4O + CH3 = cC2H3O + CH4 1.1E12 0.000 11830 0.0 0.0 0.0 - - CH2CHOH + H = CHCHOH + H2 2.4E02 3.630 11266 0.0 0.0 0.0 - CH2CHOH + H = CH2CHO + H2 1.5E07 1.700 3000 0.0 0.0 0.0 - - CH2CHOH + O = CH2OH + HCO 3.9E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - CH2CHOH + O = CH2OH + HCO 6.2E13 0.000 6855 0.0 0.0 0.0 - // DUPLICATE - - CH2CHOH + O = CH2CHO + OH 1.6E07 2.000 4400 0.0 0.0 0.0 - CH2CHOH + OH = CHCHOH + H2O 1.3E-1 4.200 -860 0.0 0.0 0.0 - CH2CHOH + OH = CH2CHO + H2O 7.5E11 0.300 1600 0.0 0.0 0.0 - CH2CHOH + O2 => CH2O + HCO + OH 3.5E07 1.800 39000 0.0 0.0 0.0 - -// 1 atm -// CHCHOH = HCCOH + H 1.1E31 -6.153 51383 0.0 0.0 0.0 -// 10 atm -CHCHOH = HCCOH + H 1.5E32 -6.168 52239 0.0 0.0 0.0 -// 100 atm -//CHCHOH = HCCOH + H 5.5E29 -5.057 52377 0.0 0.0 0.0 - - CHCHOH + H = CH2CHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CHCHOH + O = OCHCHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CHCHOH + O2 = HCCOH + HO2 1.4E02 3.400 3700 0.0 0.0 0.0 -//#CHCHOH + O2 = OCHCHO + OH 2.5E12 0.000 0 0.0 0.0 0.0 - - cC2H3O = CH2CHO 8.7E31 -6.900 14994 0.0 0.0 0.0 - cC2H3O = CH2CO + H 5.0E13 0.000 14863 0.0 0.0 0.0 - cC2H3O = CH3 + CO 7.1E12 0.000 14280 0.0 0.0 0.0 - - -// ( 0.01 bar) -//CH2CHO = CH2CO + H 2.4E25 -4.800 43424 0.0 0.0 0.0 -// ( 0.1 bar) -//CH2CHO = CH2CO + H 2.4E30 -5.860 46114 0.0 0.0 0.0 -// ( 1 bar) -//CH2CHO = CH2CO + H 1.3E34 -6.570 49454 0.0 0.0 0.0 -// ( 10 bar) -CH2CHO = CH2CO + H 3.5E36 -6.920 52979 0.0 0.0 0.0 -// (100 bar) -// CH2CHO = CH2CO + H 1.2E36 -6.480 55171 0.0 0.0 0.0 -// (high-PL) -//CH2CHO = CH2CO + H 1.4E15 -0.150 45606 0.0 0.0 0.0 - -// ( 0.01 bar) -//CH2CHO = CH3 + CO 1.2E30 -6.070 41332 0.0 0.0 0.0 -// ( 0.1 bar) -//CH2CHO = CH3 + CO 6.4E32 -6.570 44282 0.0 0.0 0.0 -// ( 1 bar) -//CH2CHO = CH3 + CO 6.5E34 -6.870 47191 0.0 0.0 0.0 -// ( 10 bar) -CH2CHO = CH3 + CO 2.2E35 -6.760 49548 0.0 0.0 0.0 -// (100 bar) -// CH2CHO = CH3 + CO 2.2E33 -5.970 50448 0.0 0.0 0.0 -// (high-PL) -//CH2CHO = CH3 + CO 2.9E12 0.290 40326 0.0 0.0 0.0 - - CH2CHO + H = CH3 + HCO 1.0E14 0.000 0 0.0 0.0 0.0 - CH2CHO + H = CH3CO + H 3.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + H = CH2CO + H2 2.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + O = CH2CO + OH 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + OH = CH2CO + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + OH = CH2OH + HCO 1.0E13 0.000 0 0.0 0.0 0.0 - -// 1 atm -//CH2CHO + O2 = CH2O + CO + OH 5.7E17 -1.757 11067 0.0 0.0 0.0 -// 10 atm -CH2CHO + O2 = CH2O + CO + OH 1.1E14 -0.610 11422 0.0 0.0 0.0 -// 100 atm -// CH2CHO + O2 = CH2O + CO + OH 1.5E-10 6.690 4868 0.0 0.0 0.0 - -//#CH2CHO + O2 = OCHCHO + OH 2.2E11 0.000 1500 0.0 0.0 0.0 - CH2CHO + CH3 = C2H5 + CO + H 4.9E14 -0.500 0 0.0 0.0 0.0 - CH2CHO + HO2 = CH2O + HCO + OH 7.0E12 -0.500 0 0.0 0.0 0.0 - CH2CHO + HO2 = CH3CHO + O2 3.0E12 -0.500 0 0.0 0.0 0.0 - CH2CHO + CH2 = C2H4 + HCO 5.0E13 0.000 0 0.0 0.0 0.0 -// CH2CHO + CH = C2H3 + HCO 1.0E14 0.000 0 0.0 0.0 0.0 - -// ( 0.01 bar) -//CH3CO = CH3 + CO 6.9E14 -1.970 14584 0.0 0.0 0.0 -// ( 0.1 bar) -//CH3CO = CH3 + CO 2.0E16 -2.090 15197 0.0 0.0 0.0 -// ( 1 bar) -//CH3CO = CH3 + CO 6.5E18 -2.520 16436 0.0 0.0 0.0 -// ( 10 bar) -CH3CO = CH3 + CO 8.2E19 -2.550 17263 0.0 0.0 0.0 -// (100 bar) -// CH3CO = CH3 + CO 1.3E20 -2.320 18012 0.0 0.0 0.0 -// (high-PL) -//CH3CO = CH3 + CO 1.1E12 0.630 16895 0.0 0.0 0.0 - - CH2CO + H = CH3CO 2.3E08 1.610 2627 0.0 0.0 0.0 - CH3CO + H = CH3 + HCO 2.1E13 0.000 0 0.0 0.0 0.0 - CH3CO + H = CH2CO + H2 1.2E13 0.000 0 0.0 0.0 0.0 - CH3CO + O = CH3 + CO2 1.6E14 0.000 0 0.0 0.0 0.0 - CH3CO + O = CH2CO + OH 5.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + OH = CH2CO + H2O 1.2E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3OO = CH3 + CO2 + CH3O 2.4E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3 = C2H6 + CO 3.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3 = CH2CO + CH4 5.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + O2 = CH2O + CO + OH 1.9E12 0.000 0 0.0 0.0 0.0 - - CH2CO + H = CH3 + CO 3.3E10 0.851 2840 0.0 0.0 0.0 - CH2CO + H = HCCO + H2 3.0E07 2.000 10000 0.0 0.0 0.0 -// CH + CH2O = CH2CO + H 9.5E13 0.000 -517 0.0 0.0 0.0 - CH2CO + O = CO2 + CH2 1.8E12 0.000 1350 0.0 0.0 0.0 - CH2CO + O = HCCO + OH 2.0E07 2.000 10000 0.0 0.0 0.0 - CH2CO + OH = CH2OH + CO 1.0E12 0.000 -1013 0.0 0.0 0.0 - CH2CO + OH = CH3 + CO2 6.7E11 0.000 -1013 0.0 0.0 0.0 - CH2CO + OH = HCCO + H2O 1.0E07 2.000 3000 0.0 0.0 0.0 - CH2CO + CH2(S) = C2H4 + CO 1.6E14 0.000 0 0.0 0.0 0.0 - - HCCOH + H = HCCO + H2 3.0E07 2.000 1000 0.0 0.0 0.0 - HCCOH + O = HCCO + OH 2.0E07 2.000 1900 0.0 0.0 0.0 - HCCOH + OH = HCCO + H2O 1.0E07 2.000 1000 0.0 0.0 0.0 - - - HCCO + H = CH2(S) + CO 1.5E14 0.000 0 0.0 0.0 0.0 - HCCO + O = CO + CO + H 1.0E14 0.000 0 0.0 0.0 0.0 - HCCO + OH = HCO + HCO 1.0E13 0.000 0 0.0 0.0 0.0 - HCCO + OH = C2O + H2O 6.0E13 0.000 0 0.0 0.0 0.0 - HCCO + O2 = CO2 + CO + H 4.9E12 -0.142 1150 0.0 0.0 0.0 - HCCO + O2 = CO + CO + OH 1.6E11 -0.020 1020 0.0 0.0 0.0 - HCCO + O2 = HCO + CO + O 2.2E02 2.690 3540 0.0 0.0 0.0 - HCCO + CH2 = C2H3 + CO 3.0E13 0.000 0 0.0 0.0 0.0 -// HCCO + CH = C2H2 + CO 5.0E13 0.000 0 0.0 0.0 0.0 - HCCO + HCCO = C2H2 + CO + CO 1.0E13 0.000 0 0.0 0.0 0.0 - - - -// C2O + H = CH + CO 1.3E13 0.000 0 0.0 0.0 0.0 - C2O + O = CO + CO 5.2E13 0.000 0 0.0 0.0 0.0 - C2O + OH = CO + CO + H 2.0E13 0.000 0 0.0 0.0 0.0 - C2O + O2 = CO + CO + O 1.0E13 0.000 2600 0.0 0.0 0.0 - C2O + O2 = CO + CO2 1.0E13 0.000 2600 0.0 0.0 0.0 - -// C2O + C = CO + C2 1.0E14 0.000 0 0.0 0.0 0.0 - -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b], 1 bar) -// CH3CH2OOH = CH3CH2O + OH 2.0E35 -6.700 47450 0.0 0.0 0.0 -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b], 10 bar) -CH3CH2OOH = CH3CH2O + OH 1.1E28 -4.150 46190 0.0 0.0 0.0 -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b], 50 bar) -//CH3CH2OOH = CH3CH2O + OH 2.8E26 -3.500 46340 0.0 0.0 0.0 -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b],high P limit) -//CH3CH2OOH = CH3CH2O + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - - CH3CH2OOH + H = CH3CHO + OH + H2 6.5E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + H = CH3CH2OO + H2 4.3E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + H = CH3CH2O + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + O = CH3CHO + OH + OH 1.6E13 0.000 4750 0.0 0.0 0.0 - CH3CH2OOH + O = CH3CH2OO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH3CH2OOH + OH = CH3CHO + OH + H2O 7.2E11 0.000 -258 0.0 0.0 0.0 - CH3CH2OOH + OH = CH3CH2OO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH3CH2OOH + HO2 = CH3CH2OO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - - - CH3CH2OO + H = CH3CH2O + OH 9.6E13 0.000 0 0.0 0.0 0.0 - CH3CH2OO + O = CH3CH2O + O2 1.6E13 0.000 -145 0.0 0.0 0.0 - CH3CH2OO + OH = CH3CH2OH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH3CH2OO + OH = CH3CH2O + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH3CH2OO + HO2 = CH3CH2OOH + O2 4.5E11 0.000 -1391 0.0 0.0 0.0 - CH3CH2OO + CO = CH3CH2O + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH3CH2OO + CH3 = CH3CH2O + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3CH2OO + CH4 = CH3CH2OOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH3CH2OO + CH3OH = CH3CH2OOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH3CH2OO + CH2O = CH3CH2OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH3CH2OO + C2H5 = CH3CH2O + CH3CH2O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3CH2OO + C2H6 = CH3CH2OOH + C2H5 8.6E00 3.760 17200 0.0 0.0 0.0 - CH3CH2OO + CH3CHO = CH3CH2OOH + CH3CO 2.4E19 -2.200 14030 0.0 0.0 0.0 - CH3CH2OO + CH3CHO = CH3CH2OOH + CH2CHO 2.3E11 0.400 14864 0.0 0.0 0.0 - CH3CH2OO + CH3CH2OO = CH3CH2O + CH3CH2O + O2 2.9E11 -0.270 408 0.0 0.0 0.0 - CH3CH2OO + CH3CH2OO = CH3CHO + CH3CH2OH + O2 4.3E09 0.000 -850 0.0 0.0 0.0 - -// 1 atm -//CH3CHO + OH = CH3CHO + OH 3.5E12 -0.947 979 0.0 0.0 0.0 -// 10 atm -//CH3CHOOH = CH3CHO + OH 3.5E13 -0.947 980 0.0 0.0 0.0 -// 100 atm -//CH3CHOOH = CH3CHO + OH 5.8E14 -1.012 1068 0.0 0.0 0.0 - - CH2CH2OOH = cC2H4O + OH 1.3E10 0.720 15380 0.0 0.0 0.0 - CH2CH2OOH = CH3CH2OO 1.2E07 1.040 17980 0.0 0.0 0.0 - CH2CH2OOH = C2H4 + HO2 1.3E11 0.520 16150 0.0 0.0 0.0 - -// est = CH3OOH = CH3O + OH, 1 bar -// CH2CHOOH = CH2CHO + OH 2.0E35 -6.700 47450 0.0 0.0 0.0 -// est = CH3OOH = CH3O + OH, 10 bar) -CH2CHOOH = CH2CHO + OH 1.1E28 -4.150 46190 0.0 0.0 0.0 -// est = CH3OOH = CH3O + OH, 50 bar) -//CH2CHOOH = CH2CHO + OH 2.8E26 -3.500 46340 0.0 0.0 0.0 -// est = CH3OOH = CH3O + OH,high P limit) -//CH2CHOOH = CH2CHO + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - - CH2CHOOH + H = CH2CHOO + H2 4.3E10 0.000 1860 0.0 0.0 0.0 - CH2CHOOH + H = CH2CHO + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH2CHOOH + O = CH2CHOO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH2CHOOH + OH = CH2CHOO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH2CHOOH + HO2 = CH2CHOO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - -// 100 atm - CH2CHOO = C2H2 + HO2 9.6E48 -8.868 110591 0.0 0.0 0.0 -// 100 atm - CH2CHOO = CH2O + HCO 3.1E47 -8.701 111046 0.0 0.0 0.0 -// 60atm, 6-900K fit -// CH2CHOO = CYCOOC. 3.9E09 0.000 22250 0.0 0.0 0.0 -// 100 atm -//CH2CHOO = CYCOOC. 1.1E19 -2.782 26427 0.0 0.0 0.0 - - CH2CHOO + H = CH2CHO + OH 9.6E13 0.000 0 0.0 0.0 0.0 - CH2CHOO + O = CH2CHO + O2 1.6E13 0.000 -145 0.0 0.0 0.0 - CH2CHOO + OH = CH2CHOH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH2CHOO + OH = CH2CHO + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH2CHOO + HO2 = CH2CHOOH + O2 4.5E11 0.000 -1391 0.0 0.0 0.0 - CH2CHOO + CO = CH2CHO + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH2CHOO + CH3 = CH2CHO + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH2CHOO + CH4 = CH2CHOOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH2CHOO + CH3OH = CH2CHOOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH2CHOO + CH2O = CH2CHOOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH2CHOO + C2H6 = CH2CHOOH + C2H5 8.6E00 3.760 17200 0.0 0.0 0.0 - -// 60atm, 6-900K fit -// CYCOOC. = CH2O + HCO 6.1E10 0.000 914 0.0 0.0 0.0 -// meohcys4e (100 atm) -// CYCOOC. = OCHCHO + H 1.6E13 -1.093 3159 0.0 0.0 0.0 - - - - OCHCHO + H = CH2O + HCO 3.0E13 0.000 0 0.0 0.0 0.0 - OCHCHO + OH = HCO + CO + H2O 6.6E12 0.000 0 0.0 0.0 0.0 - -// HOCH2CH2OO = CH2O + CH2O + OH 9.4E08 0.994 22250 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 = HOCH2CH2OOH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 => HOCH2CH2O + OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 => CH2O + CH2OH + OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -// HOCH2CH2OO + HO2 => CH2O + OH + CH2OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + CH2O => HOCH2CH2OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -//HOCH2CH2OO + CH2O => CH2O + CH2OH + OH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -// HOCH2CH2OO + CH2O => CH2O + OH + CH2OH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -//HOCH2CH2OO + C2H4 => HOCH2CH2O + CH3CHO 2.2E12 0.000 17200 0.0 0.0 0.0 -// HOCH2CH2OO + C2H4 => CH2O + CH2OH + CH3CHO 2.2E12 0.000 17200 0.0 0.0 0.0 - - -// -// ***************************************************************************** -// C3 subset * -// ***************************************************************************** -// - - C2H5 + HCO = C2H5CHO 1.8E13 0.000 0 0.0 0.0 0.0 - C2H5 + CO = C2H5CO 1.5E11 0.000 4800 0.0 0.0 0.0 - - CH2CHO + CH3 = C2H5CHO 5.0E13 0.000 0 0.0 0.0 0.0 - - C2H5CHO + H = C2H5CO + H2 8.0E13 0.000 0 0.0 0.0 0.0 - C2H5CHO + O = C2H5CO + OH 7.8E12 0.000 1730 0.0 0.0 0.0 - C2H5CHO + OH = C2H5CO + H2O 1.2E13 0.000 0 0.0 0.0 0.0 - - - - - C3H6 = C2H2 + CH4 3.5E12 0.000 70000 0.0 0.0 0.0 - C3H6 = H2CCCH2 + H2 4.0E13 0.000 80000 0.0 0.0 0.0 - - C3H6 + H = C2H4 + CH3 7.2E12 0.000 1302 0.0 0.0 0.0 - C3H6 + H = CH2CHCH2 + H2 1.7E05 2.500 2492 0.0 0.0 0.0 - C3H6 + H = CH3CCH2 + H2 4.1E05 2.500 9794 0.0 0.0 0.0 - C3H6 + H = CH3CHCH + H2 8.0E05 2.500 12284 0.0 0.0 0.0 - C3H6 + O = C2H5 + HCO 1.6E07 1.760 -1220 0.0 0.0 0.0 - C3H6 + O = CH2CHCH2 + OH 5.2E11 0.700 5884 0.0 0.0 0.0 - C3H6 + O = CH3CHCH + OH 1.2E11 0.700 8959 0.0 0.0 0.0 - C3H6 + O = CH3CCH2 + OH 6.0E10 0.700 7632 0.0 0.0 0.0 - C3H6 + O = CH3CHCO + H + H 5.0E07 1.760 76 0.0 0.0 0.0 - C3H6 + OH = CH2CHCH2 + H2O 3.1E06 2.000 -298 0.0 0.0 0.0 - C3H6 + OH = CH3CCH2 + H2O 1.1E06 2.000 1451 0.0 0.0 0.0 - C3H6 + OH = CH3CHCH + H2O 2.1E06 2.000 2778 0.0 0.0 0.0 - C3H6 + HO2 = CH2CHCH2 + H2O2 9.6E03 2.600 13910 0.0 0.0 0.0 - - C3H6 + HCO = CH2CHCH2 + CH2O 1.1E07 1.900 17010 0.0 0.0 0.0 - C3H6 + CH3 = CH2CHCH2 + CH4 2.2E00 3.500 5675 0.0 0.0 0.0 - C3H6 + CH3 = CH3CCH2 + CH4 8.4E-1 3.500 11656 0.0 0.0 0.0 - C3H6 + CH3 = CH3CHCH + CH4 1.4E00 3.500 12848 0.0 0.0 0.0 - - CH3CHCH + H = C3H6 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CCH2 + H = C3H6 5.0E13 0.000 0 0.0 0.0 0.0 - CH3CHCH + HO2 = C3H6 + O2 2.0E12 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + HO2 = C3H6 + O2 3.0E12 0.000 0 0.0 0.0 0.0 - CH3CCH2 + HO2 = C3H6 + O2 1.0E12 0.000 0 0.0 0.0 0.0 - - CH2CHCH2 + CH2CHCH2 = C3H6 + H2CCCH2 1.0E13 0.000 0 0.0 0.0 0.0 - - - C2H2 + CH3 = CH3CHCH 3.2E35 -7.760 13300 0.0 0.0 0.0 - - CH3CHCH + H = CH2CHCH2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHCH + H = H3CCCH + H2 2.0E13 0.000 0 0.0 0.0 0.0 - CH3CHCH + O = CH3CHCO + H 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHCH + OH = H3CCCH + H2O 1.0E13 0.000 0 0.0 0.0 0.0 - CH3CHCH + O2 = CH3CHO + HCO 1.2E23 -3.290 3892 0.0 0.0 0.0 - CH3CHCH + O2 = CH3CHCO + H + O 1.6E15 -0.780 3135 0.0 0.0 0.0 - - - C2H2 + CH3 = CH3CCH2 5.0E22 -4.390 18850 0.0 0.0 0.0 - - CH3CCH2 + H = CH2CHCH2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CCH2 + H = H3CCCH + H2 4.0E13 0.000 0 0.0 0.0 0.0 - CH3CCH2 + O = CH2CO + CH3 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CCH2 + OH = H3CCCH + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - CH3CCH2 + O2 = CH3CO + CH2O 1.2E22 -3.290 3892 0.0 0.0 0.0 - CH3CCH2 + CH3 = H3CCCH + CH4 1.0E11 0.000 0 0.0 0.0 0.0 - - C2H4 + CH2(S) = CH2CHCH2 + H 1.3E14 0.000 0 0.0 0.0 0.0 - - C2H3 + CH3 = CH2CHCH2 + H 4.7E02 3.700 5677 0.0 0.0 0.0 - - C2H2 + CH3 = CH2CHCH2 2.7E53 -12.820 35730 0.0 0.0 0.0 - - - CH2CHCH2 + H = H2CCCH2 + H2 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + O = CH2CHCHO + H 1.8E14 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + OH = H2CCCH2 + H2O 1.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + HO2 = CH2CHCHO + H + OH 1.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + O2 = H2CCCH2 + HO2 5.0E15 -1.400 22428 0.0 0.0 0.0 - CH2CHCH2 + O2 = CH2CHO + CH2O 1.1E10 0.340 12840 0.0 0.0 0.0 - CH2CHCH2 + O2 = C2H2 + CH2O + OH 2.8E25 -4.800 15468 0.0 0.0 0.0 - CH2CHCH2 + O2 = CH2CHCHO + OH 1.8E13 -0.410 22860 0.0 0.0 0.0 - CH2CHCH2 + CH3 = H2CCCH2 + CH4 3.0E12 -0.300 -131 0.0 0.0 0.0 - - - C2H3 + CH2 = H2CCCH2 + H 3.0E13 0.000 0 0.0 0.0 0.0 - - C2H2 + CH3 = H2CCCH2 + H 5.1E09 0.86 22153 0.0 0.0 0.0 - - H2CCCH2 = H3CCCH 2.2E14 0.000 68100 0.0 0.0 0.0 - H2CCCH2 + H = H3CCCH + H 1.0E13 0.000 5000 0.0 0.0 0.0 - H2CCCH2 + H = H2CCCH + H2 3.0E07 2.000 5000 0.0 0.0 0.0 - H2CCCH2 + H = CH3CHCH 1.1E30 -6.52 15200 0.0 0.0 0.0 - H2CCCH2 + H = CH3CCH2 9.2E38 -8.65 7000 0.0 0.0 0.0 - H2CCCH2 + H = CH2CHCH2 9.6E61 -14.67 26000 0.0 0.0 0.0 - H2CCCH2 + O = C2H4 + CO 2.0E07 1.800 1000 0.0 0.0 0.0 - H2CCCH2 + OH = H2CCCH + H2O 2.0E07 2.000 1000 0.0 0.0 0.0 - H2CCCH2 + CH3 = H2CCCH + CH4 1.3E12 0.000 7700 0.0 0.0 0.0 - H2CCCH2 + C2H = C2H2 + H2CCCH 1.0E13 0.000 0 0.0 0.0 0.0 - C2H2 + CH3 = H3CCCH + H 2.6E09 1.100 13644 0.0 0.0 0.0 - H3CCCH + H = H2CCCH + H2 3.0E07 2.000 5000 0.0 0.0 0.0 - - H3CCCH+O=HCCO+CH3 2.0E13 0.000 2250 0.0 0.0 0.0 - H3CCCH+O=C2H4+CO 5.8E12 0.000 2250 0.0 0.0 0.0 - H3CCCH+OH=H2CCCH+H2O 2.0E07 2.000 1000 0.0 0.0 0.0 - H3CCCH+O2 => CH3+HCO+CO 4.0E14 0.000 41900 0.0 0.0 0.0 - H3CCCH+CH3=H2CCCH+CH4 1.8E12 0.000 7700 0.0 0.0 0.0 - H3CCCH+C2H=C2H2+H2CCCH 1.0E13 0.000 0 0.0 0.0 0.0 - - cC3H4=H2CCCH2 1.5E14 0.000 50450 0.0 0.0 0.0 - cC3H4=H3CCCH 1.2E15 0.000 43730 0.0 0.0 0.0 - - C2H2+CH2=H2CCCH+H 1.2E13 0.000 6621 0.0 0.0 0.0 - C2H2+CH2(S)=H2CCCH+H 1.8E14 0.000 0 0.0 0.0 0.0 - C2H2+HCCO=H2CCCH+CO 1.0E11 0.000 3000 0.0 0.0 0.0 - C2H3+C2H3=H2CCCH+CH3 1.8E13 0.000 0 0.0 0.0 0.0 - H2CCCH=C3H2+H 5.2E12 0.000 78447 0.0 0.0 0.0 - - - H2CCCH+H=C3H2+H2 5.0E13 0.000 1000 0.0 0.0 0.0 - H2CCCH+O=CH2O+C2H 1.4E14 0.000 0 0.0 0.0 0.0 - H2CCCH+OH=C3H2+H2O 2.0E13 0.000 0 0.0 0.0 0.0 - H2CCCH+OH=CH2O+C2H2 2.0E13 0.000 0 0.0 0.0 0.0 - - H2CCCH+OH=C2H3+HCO 2.0E13 0.000 0 0.0 0.0 0.0 - - H2CCCH+HO2=H2CCCH2+O2 3.0E11 0.000 0 0.0 0.0 0.0 - H2CCCH+HO2=H3CCCH+O2 3.0E11 0.000 0 0.0 0.0 0.0 - H2CCCH+O2=CH2CO+HCO 1.7E05 1.70 1500 0.0 0.0 0.0 - H2CCCH+HCO=H2CCCH2+CO 2.5E13 0.000 0 0.0 0.0 0.0 - H2CCCH+HCO=H3CCCH+CO 2.5E13 0.000 0 0.0 0.0 0.0 - C3H2+H=C3H+H2 1.0E13 0.000 0 0.0 0.0 0.0 - C2H2+CH=C3H2+H 2.1E14 0.000 -121 0.0 0.0 0.0 - C3H2+O=C2H2+CO 1.0E14 0.000 0 0.0 0.0 0.0 - C3H2+OH=C2H2+HCO 5.0E13 0.000 0 0.0 0.0 0.0 - C3H2+O2=HCCO+CO+H 2.0E12 0.000 1000 0.0 0.0 0.0 - C3H+O=C2H+CO 1.0E13 0.000 0 0.0 0.0 0.0 - C3H+O2=HCCO+CO 1.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCHO+H=C2H4+HCO 2.0E13 0.000 3500 0.0 0.0 0.0 - CH2CHCHO+H=CH2CHCO+H2 4.0E13 0.000 4200 0.0 0.0 0.0 - CH2CHCHO+O=CH2CHCO+OH 7.2E12 0.000 1970 0.0 0.0 0.0 - CH2CHCHO+O=CH2CO+HCO+H 5.0E07 1.760 76 0.0 0.0 0.0 - CH2CHCHO+OH=CH2CHCO+H2O 1.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCHO+O2=CH2CHCO+HO2 3.0E13 0.000 36000 0.0 0.0 0.0 - CH2CHCO=C2H3+CO 1.0E14 0.000 34000 0.0 0.0 0.0 - CH2CHCO+O=C2H3+CO2 1.0E14 0.000 0 0.0 0.0 0.0 - CH2CHCO+O2=CH2CHO+CO2 5.4E20 -2.720 7000 0.0 0.0 0.0 - diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C3/glarborg.py b/output/RMG_database/kinetics_libraries/Glarborg/C3/glarborg.py deleted file mode 100755 index 2d9caf18d4..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C3/glarborg.py +++ /dev/null @@ -1,66 +0,0 @@ -#! /usr/bin/env python -import re, os -import getopt, sys, subprocess -import shutil - - -# defaults -settings=dict(nproc=2, memory='500MB') - -try: - opts, args = getopt.getopt(sys.argv[1:], "hvn:st:", ["help", "nproc=", "saveonly", "template="]) -except getopt.GetoptError, err: - # print help information and exit: - print str(err) # will print something like "option -a not recognized" - usage() - sys.exit(2) - - # OK, now we get to the part where I know what's going on. - # for each file supplied at the command line, do the following - -searchExpression1=re.compile(" ! ") -searchExpression2=re.compile(" !") -for filename in args: - - (fileroot,filextension) = os.path.splitext(filename) - - print fileroot - - fin=open(filename,'r') - com=fin.read() - fin.close - - com = com.replace('=', ' = ') - com = com.replace('+', ' + ') - com = com.replace('( + ', ' (+') - name = 'new_file.txt' - fout=open(name,'w') - fout.write(com) - fout.close - - - fin=open(name,'r+') - f = open(name+'.new', 'w') - for line in fin: - match1 = searchExpression1.search(line) - match2 = searchExpression2.search(line) - if match1: - (data, comment) = line.split(' ! ') - f.write('// '+comment+data+' 0.0 0.0 0.0 '+'\n') - elif match2: - (data, comment) = line.split(' !') - f.write(data+'\n') - else: - f.write(line) - f.close - - # fin=open(name+'.new','r') - # com=fin.read() - # fin.close - - # com = com.replace('!', '//') -# com = com.replace('DUPLICATE', ' // DUPLICATE') - # fout=open(name,'w') - # fout.write(com) - # fout.close - # os.remove(name+'.new') diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C3/new_file.txt b/output/RMG_database/kinetics_libraries/Glarborg/C3/new_file.txt deleted file mode 100644 index 8664c4ce9b..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C3/new_file.txt +++ /dev/null @@ -1,1140 +0,0 @@ -// CFG - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - - - -// Glarborg, -// -// ***************************************************************************** -// H2/O2 subset * -// ***************************************************************************** -// - - H + O2 = O + OH 3.6E15 -0.410 16600 0.0 0.0 0.0 - - - H + H + H2 = H2 + H2 1.0E17 -0.600 0 0.0 0.0 0.0 - H + H + H2O = H2 + H2O 1.0E19 -1.000 0 0.0 0.0 0.0 - - O + H2 = OH + H 3.8E12 0.000 7948 0.0 0.0 0.0 - // DUPLICATE - O + H2 = OH + H 8.8E14 0.000 19175 0.0 0.0 0.0 - // DUPLICATE - - OH + OH = O + H2O 4.3E03 2.700 -1822 0.0 0.0 0.0 - - - OH + H2 = H + H2O 2.1E08 1.520 3449 0.0 0.0 0.0 - H2 + O2 = HO2 + H 7.4E05 2.433 53502 0.0 0.0 0.0 - HO2 + H = OH + OH 8.4E13 0.000 400 0.0 0.0 0.0 - HO2 + H = H2O + O 1.4E12 0.000 0 0.0 0.0 0.0 - HO2 + O = OH + O2 1.6E13 0.000 -445 0.0 0.0 0.0 - - HO2 + OH = H2O + O2 3.6E21 -2.100 9000 0.0 0.0 0.0 - // DUPLICATE - HO2 + OH = H2O + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - // DUPLICATE -// HO2 + OH = H2O + O2 -2.2E96 -24.000 49000 0.0 0.0 0.0 - // DUPLICATE - - HO2 + HO2 = H2O2 + O2 1.9E11 0.000 -1408 0.0 0.0 0.0 - // DUPLICATE - HO2 + HO2 = H2O2 + O2 1.0E14 0.000 11034 0.0 0.0 0.0 - // DUPLICATE - - H2O2 + H = H2O + OH 1.0E13 0.000 3580 0.0 0.0 0.0 - H2O2 + H = HO2 + H2 1.7E12 0.000 3760 0.0 0.0 0.0 - H2O2 + O = HO2 + OH 9.6E06 2.000 3970 0.0 0.0 0.0 - - H2O2 + OH = H2O + HO2 1.9E12 0.000 427 0.0 0.0 0.0 - // DUPLICATE - H2O2 + OH = H2O + HO2 1.6E18 0.000 29410 0.0 0.0 0.0 - // DUPLICATE - -// -// ***************************************************************************** -// CO/CO2 subset * -// ***************************************************************************** -// - - - CO + O2 = CO2 + O 4.7E12 0.000 60500 0.0 0.0 0.0 - CO + HO2 = CO2 + OH 1.6E05 2.180 17943 0.0 0.0 0.0 -// (0.001 bar, 300 CH2O + OH 2.4E12 -0.925 1567 0.0 0.0 0.0 -// 10 atm -//CH2OOH = > CH2O + OH 2.5E13 -0.927 1579 0.0 0.0 0.0 -// 100 atm -//CH2OOH = > CH2O + OH 7.0E14 -1.064 1744 0.0 0.0 0.0 - - - -// -// ***************************************************************************** -// C2 subset * -// ***************************************************************************** -// - - C2H6 + H = C2H5 + H2 9.8E13 0.000 9220 0.0 0.0 0.0 - C2H6 + O = C2H5 + OH 1.1E-07 6.500 274 0.0 0.0 0.0 - C2H6 + OH = C2H5 + H2O 9.2E06 2.000 990 0.0 0.0 0.0 - C2H6 + HO2 = C2H5 + H2O2 1.1E05 2.500 16850 0.0 0.0 0.0 - C2H6 + O2 = C2H5 + HO2 7.3E05 2.500 49160 0.0 0.0 0.0 - - C2H6 + CH3 = C2H5 + CH4 5.6E10 0.000 9418 0.0 0.0 0.0 - // DUPLICATE - C2H6 + CH3 = C2H5 + CH4 8.4E14 0.000 22250 0.0 0.0 0.0 - // DUPLICATE - - C2H6 + CH2(S) = C2H5 + CH3 1.2E14 0.000 0 0.0 0.0 0.0 - - C2H5 + O = CH3 + CH2O 4.2E13 0.000 0 0.0 0.0 0.0 - C2H5 + O = CH3CHO + H 5.3E13 0.000 0 0.0 0.0 0.0 - C2H5 + O = C2H4 + OH 3.1E13 0.000 0 0.0 0.0 0.0 - C2H5 + OH = C2H4 + H2O 2.4E13 0.000 0 0.0 0.0 0.0 - C2H5 + HO2 = CH3CH2O + OH 3.1E13 0.000 0 0.0 0.0 0.0 - - C2H5 + O2 = C2H4 + HO2 1.4E07 1.090 -1975 0.0 0.0 0.0 - - C2H5 + CH2O = C2H6 + HCO 5.5E03 2.810 5860 0.0 0.0 0.0 - C2H5 + HCO = C2H6 + CO 4.3E13 0.000 0 0.0 0.0 0.0 -//C2H5 + HCO = C2H6 + CO 1.2E14 0.000 0 0.0 0.0 0.0 - C2H5 + CH3 = C2H4 + CH4 9.0E11 0.000 0 0.0 0.0 0.0 - C2H5 + C2H5 = C2H6 + C2H4 1.5E12 0.000 0 0.0 0.0 0.0 - - C2H4 + H = C2H3 + H2 2.4E02 3.620 11266 0.0 0.0 0.0 -// CH4 + CH = C2H4 + H 3.0E13 0.000 -400 0.0 0.0 0.0 - CH3 + CH2 = C2H4 + H 4.2E13 0.000 0 0.0 0.0 0.0 - CH3 + CH2(S) = C2H4 + H 2.0E13 0.000 0 0.0 0.0 0.0 - - C2H4 + O = CH3 + HCO 3.9E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - C2H4 + O = CH3 + HCO 6.2E13 0.000 6855 0.0 0.0 0.0 - // DUPLICATE - - C2H4 + O = CH2CHO + H 1.7E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - C2H4 + O = CH2CHO + H 2.8E13 0.000 6855 0.0 0.0 0.0 - // DUPLICATE - -// RMG doesn't like this rate; I replaced it with NIST -// C2H4 + OH = C2H3 + H2O 1.3E-1 4.200 -860 0.0 0.0 0.0 -C2H4 + OH = C2H3 + H2O 5.4E07 1.8 4166 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH3 + CH2O 1.8E06 1.680 2061 0.0 0.0 0.0 -// 10 atm -C2H4 + OH = CH3 + CH2O 2.4E09 0.560 6007 0.0 0.0 0.0 -// fit to 60 atm,600-900K -// C2H4 + OH = CH3 + CH2O 3.3E11 0.000 9079 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH3 + CH2O 2.8E13 -0.500 11455 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH3CHO + H 2.4E-2 3.910 1723 0.0 0.0 0.0 -// 10 atm -C2H4 + OH = CH3CHO + H 8.2E08 1.010 10507 0.0 0.0 0.0 -// fit to 60 atm,600-900K -// C2H4 + OH = CH3CHO + H 1.4E33 -6.114 24907 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH3CHO + H 6.8E09 0.810 13867 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH2CHOH + H 3.2E05 2.190 5256 0.0 0.0 0.0 -// 10 atm -C2H4 + OH = CH2CHOH + H 1.9E08 1.430 7829 0.0 0.0 0.0 -// fit to 60 atm,600-900K -// C2H4 + OH = CH2CHOH + H 1.7E13 0.000 11527 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH2CHOH + H 8.5E10 0.750 11491 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH2CH2OH 6.0E37 -8.140 8043 0.0 0.0 0.0 -// // DUPLICATE -//C2H4 + OH = CH2CH2OH 7.3E23 -6.910 2855 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H4 + OH = CH2CH2OH 6.0E37 -7.770 10736 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H4 + OH = CH2CH2OH 3.0E26 -4.870 2297 0.0 0.0 0.0 -// // DUPLICATE -//C2H4 + OH = CH2CH2OH 6.0E37 -7.440 14269 0.0 0.0 0.0 -// // DUPLICATE -// fit to 60 atm,600-900K -// C2H4 + OH = CH2CH2OH 2.4E20 -2.399 3294 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH2CH2OH 2.8E19 -2.410 1011 0.0 0.0 0.0 -// // DUPLICATE - - C2H4 + HO2 = cC2H4O + OH 2.2E12 0.000 17200 0.0 0.0 0.0 - C2H4 + O2 = C2H3 + HO2 7.1E13 0.000 60010 0.0 0.0 0.0 - C2H4 + CH3 = C2H3 + CH4 6.0E07 1.560 16630 0.0 0.0 0.0 - - C2H3 + H = C2H2 + H2 4.5E13 0.000 0 0.0 0.0 0.0 -// CH3 + CH = C2H3 + H 3.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + O = CH2CO + H 3.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + OH = C2H2 + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - - C2H3 + HO2 = CH2CHO + OH 3.0E13 0.000 0 0.0 0.0 0.0 -// PM 60 bar -// RMG dislikes; cfg replaced w mclin -// C2H3 + O2 = CH2CHOO 1.1E12 0.000 -1680 0.0 0.0 0.0 -// C.F.Goldsmith replaced the above rate expression from Glarborg with the following rate expression from -// A. M. Mebel, E. W. G. Diau, M. C. Lin, and K. Morokuma J. Am. Chem. Soc. 1996, 118, 9759-9771 http://dx.doi.org/10.1021/ja961476e - C2H3 + O2 = CH2CHOO 3.0E36 -8.0 5680 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2O + HCO 6.3E12 0.000 3130 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2CHO + O 4.8E12 0.000 4800 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = C2H2 + HO2 7.6E11 0.000 7930 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH3O + CO 2.8E11 0.000 3130 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH3 + CO2 1.3E10 0.000 3130 0.0 0.0 0.0 - - - C2H3 + CH2O = C2H4 + HCO 5.4E03 2.810 5860 0.0 0.0 0.0 - C2H3 + HCO = C2H4 + CO 9.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + CH3 = C2H2 + CH4 2.1E13 0.000 0 0.0 0.0 0.0 -// C2H3 + CH = CH2 + C2H2 5.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + C2H3 = C2H4 + C2H2 1.5E13 0.000 0 0.0 0.0 0.0 - C2H3 + C2H = C2H2 + C2H2 3.0E13 0.000 0 0.0 0.0 0.0 - -// CH3 + C = C2H2 + H 5.0E13 0.000 0 0.0 0.0 0.0 -// CH2 + CH = C2H2 + H 4.0E13 0.000 0 0.0 0.0 0.0 - CH2 + CH2 = C2H2 + H + H 3.2E13 0.000 0 0.0 0.0 0.0 -//CH2 + CH2 = C2H2 + H + H 4.0E13 0.000 0 0.0 0.0 0.0 - - C2H2 + O = HCCO + H 1.4E07 2.000 1900 0.0 0.0 0.0 - C2H2 + O = CH2 + CO 6.1E06 2.000 1900 0.0 0.0 0.0 - C2H2 + O = C2H + OH 3.2E15 -0.600 15000 0.0 0.0 0.0 - -// 1 atm -//C2H2 + OH = CH3 + CO 1.3E09 0.730 2579 0.0 0.0 0.0 -// 10 atm -C2H2 + OH = CH3 + CO 4.3E08 0.920 3736 0.0 0.0 0.0 -// 100 atm - C2H2 + OH = CH3 + CO 8.3E05 1.770 4697 0.0 0.0 0.0 - -// 1 atm -//C2H2 + OH = HCCOH + H 2.4E06 2.000 12713 0.0 0.0 0.0 -// 10 atm -C2H2 + OH = HCCOH + H 3.2E06 1.970 12810 0.0 0.0 0.0 -// 100 atm - C2H2 + OH = HCCOH + H 7.3E06 1.890 13603 0.0 0.0 0.0 - -// 1 atm -//C2H2 + OH = CHCHOH 1.9E44 -11.380 6299 0.0 0.0 0.0 -// // DUPLICATE -// 1 atm -//C2H2 + OH = CHCHOH 3.5E31 -6.200 6635 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H2 + OH = CHCHOH 1.5E24 -4.060 3261 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H2 + OH = CHCHOH 4.5E31 -5.920 8761 0.0 0.0 0.0 -// // DUPLICATE -// 100 atm -// C2H2 + OH = CHCHOH 6.2E20 -2.800 2831 0.0 0.0 0.0 - // DUPLICATE -// 100 atm -// C2H2 + OH = CHCHOH 1.6E29 -4.910 9734 0.0 0.0 0.0 - // DUPLICATE -// >>100 atm -//C2H2 + OH = CHCHOH 1.1E08 1.340 332 0.0 0.0 0.0 -// // DUPLICATE -// >>100 atm -//C2H2 + OH = CHCHOH 6.0E07 1.620 240 0.0 0.0 0.0 -// // DUPLICATE - -// 1 atm -//C2H2 + OH = CH2CO + H 7.5E06 1.550 2106 0.0 0.0 0.0 -// 10 atm -C2H2 + OH = CH2CO + H 5.1E06 1.650 3400 0.0 0.0 0.0 -// 100 atm - C2H2 + OH = CH2CO + H 1.5E04 2.450 4477 0.0 0.0 0.0 - - C2H2 + HO2 = CH2O + HCO 3.0E12 0.000 10000 0.0 0.0 0.0 - C2H2 + HO2 = CH2CHO + O 3.0E12 0.000 10000 0.0 0.0 0.0 - C2H2 + O2 = HCO + HCO 7.0E07 1.800 30600 0.0 0.0 0.0 - C2H2 + CH2(S) = C2H2 + CH2 4.0E13 0.000 0 0.0 0.0 0.0 - - H2CC = C2H2 1.0E07 0.000 0 0.0 0.0 0.0 - H2CC + H = C2H2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - H2CC + OH = CH2CO + H 2.0E13 0.000 0 0.0 0.0 0.0 - H2CC + O2 = CH2 + CO2 1.0E13 0.000 0 0.0 0.0 0.0 - - C2 + H2 = C2H + H 4.0E05 2.40 1000 0.0 0.0 0.0 -// CH2 + C = C2H + H 5.0E13 0.000 0 0.0 0.0 0.0 -// C2H + O = CH + CO 5.0E13 0.000 0 0.0 0.0 0.0 - C2H + OH = HCCO + H 2.0E13 0.000 0 0.0 0.0 0.0 - C2H + OH = C2 + H2O 4.0E07 2.000 8000 0.0 0.0 0.0 - C2H + H2 = C2H2 + H 4.1E05 2.390 864 0.0 0.0 0.0 - C2H + O2 = CO + CO + H 4.7E13 -0.16 0 0.0 0.0 0.0 - C2H + CH4 = CH3 + C2H2 7.2E12 0.000 976 0.0 0.0 0.0 - - -// C2 + O = C + CO 1.0E14 0.000 0 0.0 0.0 0.0 - C2 + OH = C2O + H 5.0E13 0.000 0 0.0 0.0 0.0 - C2 + O2 = CO + CO 9.0E12 0.000 980 0.0 0.0 0.0 - - - CH3CH2OH + H = CH3CHOH + H2 2.6E07 1.650 2827 0.0 0.0 0.0 - CH3CH2OH + H = CH2CH2OH + H2 1.2E07 1.800 5098 0.0 0.0 0.0 - CH3CH2OH + H = CH3CH2O + H2 1.5E07 1.650 3038 0.0 0.0 0.0 - CH3CH2OH + O = CH3CHOH + OH 1.9E07 1.850 1824 0.0 0.0 0.0 - CH3CH2OH + O = CH2CH2OH + OH 9.4E07 1.700 5459 0.0 0.0 0.0 - CH3CH2OH + O = CH3CH2O + OH 1.6E07 2.000 4448 0.0 0.0 0.0 - CH3CH2OH + OH = CH3CHOH + H2O 4.6E11 0.150 0 0.0 0.0 0.0 - CH3CH2OH + OH = CH2CH2OH + H2O 1.7E11 0.270 600 0.0 0.0 0.0 - CH3CH2OH + OH = CH3CH2O + H2O 7.5E11 0.300 1634 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH3CHOH + H2O2 8.2E03 2.550 10750 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH2CH2OH + H2O2 1.2E04 2.550 15750 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH3CH2O + H2O2 2.5E12 0.000 24000 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH3CHOH + CH4 7.3E02 2.990 7948 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH2CH2OH + CH4 2.2E02 3.180 9622 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH3CH2O + CH4 1.5E02 2.990 7649 0.0 0.0 0.0 - - CH3CHOH + O = CH3CHO + OH 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHOH + H = CH2OH + CH3 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CHOH + H = C2H4 + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CHOH + OH = CH3CHO + H2O 5.0E12 0.000 0 0.0 0.0 0.0 - CH3CHOH + HO2 = CH3CHO + OH + OH 4.0E13 0.000 0 0.0 0.0 0.0 - - CH3CHOH + O2 = CH3CHO + HO2 8.4E15 -1.200 0 0.0 0.0 0.0 - // DUPLICATE - CH3CHOH + O2 = CH3CHO + HO2 4.8E14 0.000 5017 0.0 0.0 0.0 - // DUPLICATE - - CH2CH2OH = CH2CHOH + H 2.2E05 2.840 32920 0.0 0.0 0.0 - CH3CH2O = CH2CH2OH 2.8E-29 11.900 4450 0.0 0.0 0.0 - CH2CH2OH + H = CH3 + CH2OH 1.0E14 0.000 0 0.0 0.0 0.0 - - CH2CH2OH + O = CH2O + CH2OH 4.0E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + O = HOCH2CHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + OH = CH2CHOH + H2O 2.4E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + OH = HOCH2CHOH 3.3E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + HO2 = CH3CH2OH + O2 1.0E12 0.000 0 0.0 0.0 0.0 - CH2CH2OH + HO2 = > CH2OH + CH2O + OH 3.0E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + HO2 = HOCH2CH2O + OH 3.0E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + O2 = CH2CHOH + HO2 1.4E07 1.090 -1975 0.0 0.0 0.0 - - CH3CH2O = CH3CHO + H 1.3E13 0.000 20060 0.0 0.0 0.0 - CH3CH2O + H = CH3CHO + H2 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CH2O + OH = CH3CHO + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CH2O + O2 = CH3CHO + HO2 1.5E10 0.000 645 0.0 0.0 0.0 - CH3CH2O + CO = C2H5 + CO2 9.5E25 -4.930 9080 0.0 0.0 0.0 - - - CH3CHO + H = CH3CO + H2 4.7E13 -0.350 3000 0.0 0.0 0.0 - CH3CHO + H = CH2CHO + H2 1.9E12 0.400 5359 0.0 0.0 0.0 - CH3CHO + O = CH3CO + OH 1.8E18 -1.900 2975 0.0 0.0 0.0 - CH3CHO + O = CH2CHO + OH 3.7E13 -0.200 3556 0.0 0.0 0.0 - CH3CHO + OH = CH3CO + H2O 2.4E11 0.300 -1000 0.0 0.0 0.0 - CH3CHO + OH = CH2CHO + H2O 3.0E13 -0.600 800 0.0 0.0 0.0 - CH3CHO + HO2 = CH3CO + H2O2 2.4E19 -2.200 14030 0.0 0.0 0.0 - CH3CHO + HO2 = CH2CHO + H2O2 2.3E11 0.400 14864 0.0 0.0 0.0 - CH3CHO + O2 = CH3CO + HO2 1.2E05 2.500 37554 0.0 0.0 0.0 - CH3CHO + CH3 = CH3CO + CH4 3.9E-07 5.800 2200 0.0 0.0 0.0 - CH3CHO + CH3 = CH2CHO + CH4 2.5E01 3.150 5727 0.0 0.0 0.0 - - cC2H4O = CH2CHO + H 1.8E13 0.200 71780 0.0 0.0 0.0 - cC2H4O = CH3 + HCO 5.6E13 0.400 61880 0.0 0.0 0.0 - cC2H4O = CH3CO + H 2.4E13 0.250 65310 0.0 0.0 0.0 - cC2H4O = CH2CO + H2 3.6E12 -0.200 63030 0.0 0.0 0.0 - cC2H4O = CH3CHO 3.2E12 -0.750 46424 0.0 0.0 0.0 - cC2H4O = C2H2 + H2O 7.6E12 0.060 69530 0.0 0.0 0.0 -//cC2H4O + H = CH3CHO + H 5.6E13 0.000 10950 0.0 0.0 0.0 - cC2H4O + H = cC2H3O + H2 2.0E13 0.000 8310 0.0 0.0 0.0 - cC2H4O + H = C2H3 + H2O 5.0E09 0.000 5000 0.0 0.0 0.0 - cC2H4O + H = C2H4 + OH 9.5E10 0.000 5000 0.0 0.0 0.0 - cC2H4O + O = cC2H3O + OH 1.9E12 0.000 5250 0.0 0.0 0.0 - cC2H4O + OH = cC2H3O + H2O 1.8E13 0.000 3610 0.0 0.0 0.0 - cC2H4O + HO2 = cC2H3O + H2O2 4.0E12 0.000 17000 0.0 0.0 0.0 - cC2H4O + O2 = cC2H3O + HO2 4.0E13 0.000 61500 0.0 0.0 0.0 - cC2H4O + CH3 = cC2H3O + CH4 1.1E12 0.000 11830 0.0 0.0 0.0 - - CH2CHOH + H = CHCHOH + H2 2.4E02 3.630 11266 0.0 0.0 0.0 - CH2CHOH + H = CH2CHO + H2 1.5E07 1.700 3000 0.0 0.0 0.0 - - CH2CHOH + O = CH2OH + HCO 3.9E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - CH2CHOH + O = CH2OH + HCO 6.2E13 0.000 6855 0.0 0.0 0.0 - // DUPLICATE - - CH2CHOH + O = CH2CHO + OH 1.6E07 2.000 4400 0.0 0.0 0.0 - CH2CHOH + OH = CHCHOH + H2O 1.3E-1 4.200 -860 0.0 0.0 0.0 - CH2CHOH + OH = CH2CHO + H2O 7.5E11 0.300 1600 0.0 0.0 0.0 - CH2CHOH + O2 = > CH2O + HCO + OH 3.5E07 1.800 39000 0.0 0.0 0.0 - -// 1 atm -// CHCHOH = HCCOH + H 1.1E31 -6.153 51383 0.0 0.0 0.0 -// 10 atm -CHCHOH = HCCOH + H 1.5E32 -6.168 52239 0.0 0.0 0.0 -// 100 atm -//CHCHOH = HCCOH + H 5.5E29 -5.057 52377 0.0 0.0 0.0 - - CHCHOH + H = CH2CHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CHCHOH + O = OCHCHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CHCHOH + O2 = HCCOH + HO2 1.4E02 3.400 3700 0.0 0.0 0.0 -//#CHCHOH + O2 = OCHCHO + OH 2.5E12 0.000 0 0.0 0.0 0.0 - - cC2H3O = CH2CHO 8.7E31 -6.900 14994 0.0 0.0 0.0 - cC2H3O = CH2CO + H 5.0E13 0.000 14863 0.0 0.0 0.0 - cC2H3O = CH3 + CO 7.1E12 0.000 14280 0.0 0.0 0.0 - - -// ( 0.01 bar) -//CH2CHO = CH2CO + H 2.4E25 -4.800 43424 0.0 0.0 0.0 -// ( 0.1 bar) -//CH2CHO = CH2CO + H 2.4E30 -5.860 46114 0.0 0.0 0.0 -// ( 1 bar) -//CH2CHO = CH2CO + H 1.3E34 -6.570 49454 0.0 0.0 0.0 -// ( 10 bar) -CH2CHO = CH2CO + H 3.5E36 -6.920 52979 0.0 0.0 0.0 -// (100 bar) -// CH2CHO = CH2CO + H 1.2E36 -6.480 55171 0.0 0.0 0.0 -// (high-PL) -//CH2CHO = CH2CO + H 1.4E15 -0.150 45606 0.0 0.0 0.0 - -// ( 0.01 bar) -//CH2CHO = CH3 + CO 1.2E30 -6.070 41332 0.0 0.0 0.0 -// ( 0.1 bar) -//CH2CHO = CH3 + CO 6.4E32 -6.570 44282 0.0 0.0 0.0 -// ( 1 bar) -//CH2CHO = CH3 + CO 6.5E34 -6.870 47191 0.0 0.0 0.0 -// ( 10 bar) -CH2CHO = CH3 + CO 2.2E35 -6.760 49548 0.0 0.0 0.0 -// (100 bar) -// CH2CHO = CH3 + CO 2.2E33 -5.970 50448 0.0 0.0 0.0 -// (high-PL) -//CH2CHO = CH3 + CO 2.9E12 0.290 40326 0.0 0.0 0.0 - - CH2CHO + H = CH3 + HCO 1.0E14 0.000 0 0.0 0.0 0.0 - CH2CHO + H = CH3CO + H 3.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + H = CH2CO + H2 2.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + O = CH2CO + OH 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + OH = CH2CO + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + OH = CH2OH + HCO 1.0E13 0.000 0 0.0 0.0 0.0 - -// 1 atm -//CH2CHO + O2 = CH2O + CO + OH 5.7E17 -1.757 11067 0.0 0.0 0.0 -// 10 atm -CH2CHO + O2 = CH2O + CO + OH 1.1E14 -0.610 11422 0.0 0.0 0.0 -// 100 atm -// CH2CHO + O2 = CH2O + CO + OH 1.5E-10 6.690 4868 0.0 0.0 0.0 - -//#CH2CHO + O2 = OCHCHO + OH 2.2E11 0.000 1500 0.0 0.0 0.0 - CH2CHO + CH3 = C2H5 + CO + H 4.9E14 -0.500 0 0.0 0.0 0.0 - CH2CHO + HO2 = CH2O + HCO + OH 7.0E12 -0.500 0 0.0 0.0 0.0 - CH2CHO + HO2 = CH3CHO + O2 3.0E12 -0.500 0 0.0 0.0 0.0 - CH2CHO + CH2 = C2H4 + HCO 5.0E13 0.000 0 0.0 0.0 0.0 -// CH2CHO + CH = C2H3 + HCO 1.0E14 0.000 0 0.0 0.0 0.0 - -// ( 0.01 bar) -//CH3CO = CH3 + CO 6.9E14 -1.970 14584 0.0 0.0 0.0 -// ( 0.1 bar) -//CH3CO = CH3 + CO 2.0E16 -2.090 15197 0.0 0.0 0.0 -// ( 1 bar) -//CH3CO = CH3 + CO 6.5E18 -2.520 16436 0.0 0.0 0.0 -// ( 10 bar) -CH3CO = CH3 + CO 8.2E19 -2.550 17263 0.0 0.0 0.0 -// (100 bar) -// CH3CO = CH3 + CO 1.3E20 -2.320 18012 0.0 0.0 0.0 -// (high-PL) -//CH3CO = CH3 + CO 1.1E12 0.630 16895 0.0 0.0 0.0 - - CH2CO + H = CH3CO 2.3E08 1.610 2627 0.0 0.0 0.0 - CH3CO + H = CH3 + HCO 2.1E13 0.000 0 0.0 0.0 0.0 - CH3CO + H = CH2CO + H2 1.2E13 0.000 0 0.0 0.0 0.0 - CH3CO + O = CH3 + CO2 1.6E14 0.000 0 0.0 0.0 0.0 - CH3CO + O = CH2CO + OH 5.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + OH = CH2CO + H2O 1.2E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3OO = CH3 + CO2 + CH3O 2.4E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3 = C2H6 + CO 3.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3 = CH2CO + CH4 5.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + O2 = CH2O + CO + OH 1.9E12 0.000 0 0.0 0.0 0.0 - - CH2CO + H = CH3 + CO 3.3E10 0.851 2840 0.0 0.0 0.0 - CH2CO + H = HCCO + H2 3.0E07 2.000 10000 0.0 0.0 0.0 -// CH + CH2O = CH2CO + H 9.5E13 0.000 -517 0.0 0.0 0.0 - CH2CO + O = CO2 + CH2 1.8E12 0.000 1350 0.0 0.0 0.0 - CH2CO + O = HCCO + OH 2.0E07 2.000 10000 0.0 0.0 0.0 - CH2CO + OH = CH2OH + CO 1.0E12 0.000 -1013 0.0 0.0 0.0 - CH2CO + OH = CH3 + CO2 6.7E11 0.000 -1013 0.0 0.0 0.0 - CH2CO + OH = HCCO + H2O 1.0E07 2.000 3000 0.0 0.0 0.0 - CH2CO + CH2(S) = C2H4 + CO 1.6E14 0.000 0 0.0 0.0 0.0 - - HCCOH + H = HCCO + H2 3.0E07 2.000 1000 0.0 0.0 0.0 - HCCOH + O = HCCO + OH 2.0E07 2.000 1900 0.0 0.0 0.0 - HCCOH + OH = HCCO + H2O 1.0E07 2.000 1000 0.0 0.0 0.0 - - - HCCO + H = CH2(S) + CO 1.5E14 0.000 0 0.0 0.0 0.0 - HCCO + O = CO + CO + H 1.0E14 0.000 0 0.0 0.0 0.0 - HCCO + OH = HCO + HCO 1.0E13 0.000 0 0.0 0.0 0.0 - HCCO + OH = C2O + H2O 6.0E13 0.000 0 0.0 0.0 0.0 - HCCO + O2 = CO2 + CO + H 4.9E12 -0.142 1150 0.0 0.0 0.0 - HCCO + O2 = CO + CO + OH 1.6E11 -0.020 1020 0.0 0.0 0.0 - HCCO + O2 = HCO + CO + O 2.2E02 2.690 3540 0.0 0.0 0.0 - HCCO + CH2 = C2H3 + CO 3.0E13 0.000 0 0.0 0.0 0.0 -// HCCO + CH = C2H2 + CO 5.0E13 0.000 0 0.0 0.0 0.0 - HCCO + HCCO = C2H2 + CO + CO 1.0E13 0.000 0 0.0 0.0 0.0 - - - -// C2O + H = CH + CO 1.3E13 0.000 0 0.0 0.0 0.0 - C2O + O = CO + CO 5.2E13 0.000 0 0.0 0.0 0.0 - C2O + OH = CO + CO + H 2.0E13 0.000 0 0.0 0.0 0.0 - C2O + O2 = CO + CO + O 1.0E13 0.000 2600 0.0 0.0 0.0 - C2O + O2 = CO + CO2 1.0E13 0.000 2600 0.0 0.0 0.0 - -// C2O + C = CO + C2 1.0E14 0.000 0 0.0 0.0 0.0 - -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b], 1 bar) -// CH3CH2OOH = CH3CH2O + OH 2.0E35 -6.700 47450 0.0 0.0 0.0 -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b], 10 bar) -CH3CH2OOH = CH3CH2O + OH 1.1E28 -4.150 46190 0.0 0.0 0.0 -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b], 50 bar) -//CH3CH2OOH = CH3CH2O + OH 2.8E26 -3.500 46340 0.0 0.0 0.0 -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b],high P limit) -//CH3CH2OOH = CH3CH2O + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - - CH3CH2OOH + H = CH3CHO + OH + H2 6.5E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + H = CH3CH2OO + H2 4.3E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + H = CH3CH2O + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + O = CH3CHO + OH + OH 1.6E13 0.000 4750 0.0 0.0 0.0 - CH3CH2OOH + O = CH3CH2OO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH3CH2OOH + OH = CH3CHO + OH + H2O 7.2E11 0.000 -258 0.0 0.0 0.0 - CH3CH2OOH + OH = CH3CH2OO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH3CH2OOH + HO2 = CH3CH2OO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - - - CH3CH2OO + H = CH3CH2O + OH 9.6E13 0.000 0 0.0 0.0 0.0 - CH3CH2OO + O = CH3CH2O + O2 1.6E13 0.000 -145 0.0 0.0 0.0 - CH3CH2OO + OH = CH3CH2OH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH3CH2OO + OH = CH3CH2O + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH3CH2OO + HO2 = CH3CH2OOH + O2 4.5E11 0.000 -1391 0.0 0.0 0.0 - CH3CH2OO + CO = CH3CH2O + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH3CH2OO + CH3 = CH3CH2O + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3CH2OO + CH4 = CH3CH2OOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH3CH2OO + CH3OH = CH3CH2OOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH3CH2OO + CH2O = CH3CH2OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH3CH2OO + C2H5 = CH3CH2O + CH3CH2O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3CH2OO + C2H6 = CH3CH2OOH + C2H5 8.6E00 3.760 17200 0.0 0.0 0.0 - CH3CH2OO + CH3CHO = CH3CH2OOH + CH3CO 2.4E19 -2.200 14030 0.0 0.0 0.0 - CH3CH2OO + CH3CHO = CH3CH2OOH + CH2CHO 2.3E11 0.400 14864 0.0 0.0 0.0 - CH3CH2OO + CH3CH2OO = CH3CH2O + CH3CH2O + O2 2.9E11 -0.270 408 0.0 0.0 0.0 - CH3CH2OO + CH3CH2OO = CH3CHO + CH3CH2OH + O2 4.3E09 0.000 -850 0.0 0.0 0.0 - -// 1 atm -//CH3CHO + OH = CH3CHO + OH 3.5E12 -0.947 979 0.0 0.0 0.0 -// 10 atm -//CH3CHOOH = CH3CHO + OH 3.5E13 -0.947 980 0.0 0.0 0.0 -// 100 atm -//CH3CHOOH = CH3CHO + OH 5.8E14 -1.012 1068 0.0 0.0 0.0 - - CH2CH2OOH = cC2H4O + OH 1.3E10 0.720 15380 0.0 0.0 0.0 - CH2CH2OOH = CH3CH2OO 1.2E07 1.040 17980 0.0 0.0 0.0 - CH2CH2OOH = C2H4 + HO2 1.3E11 0.520 16150 0.0 0.0 0.0 - -// est = CH3OOH = CH3O + OH, 1 bar -// CH2CHOOH = CH2CHO + OH 2.0E35 -6.700 47450 0.0 0.0 0.0 -// est = CH3OOH = CH3O + OH, 10 bar) -CH2CHOOH = CH2CHO + OH 1.1E28 -4.150 46190 0.0 0.0 0.0 -// est = CH3OOH = CH3O + OH, 50 bar) -//CH2CHOOH = CH2CHO + OH 2.8E26 -3.500 46340 0.0 0.0 0.0 -// est = CH3OOH = CH3O + OH,high P limit) -//CH2CHOOH = CH2CHO + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - - CH2CHOOH + H = CH2CHOO + H2 4.3E10 0.000 1860 0.0 0.0 0.0 - CH2CHOOH + H = CH2CHO + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH2CHOOH + O = CH2CHOO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH2CHOOH + OH = CH2CHOO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH2CHOOH + HO2 = CH2CHOO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - -// 100 atm - CH2CHOO = C2H2 + HO2 9.6E48 -8.868 110591 0.0 0.0 0.0 -// 100 atm - CH2CHOO = CH2O + HCO 3.1E47 -8.701 111046 0.0 0.0 0.0 -// 60atm, 6-900K fit -// CH2CHOO = CYCOOC. 3.9E09 0.000 22250 0.0 0.0 0.0 -// 100 atm -//CH2CHOO = CYCOOC. 1.1E19 -2.782 26427 0.0 0.0 0.0 - - CH2CHOO + H = CH2CHO + OH 9.6E13 0.000 0 0.0 0.0 0.0 - CH2CHOO + O = CH2CHO + O2 1.6E13 0.000 -145 0.0 0.0 0.0 - CH2CHOO + OH = CH2CHOH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH2CHOO + OH = CH2CHO + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH2CHOO + HO2 = CH2CHOOH + O2 4.5E11 0.000 -1391 0.0 0.0 0.0 - CH2CHOO + CO = CH2CHO + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH2CHOO + CH3 = CH2CHO + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH2CHOO + CH4 = CH2CHOOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH2CHOO + CH3OH = CH2CHOOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH2CHOO + CH2O = CH2CHOOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH2CHOO + C2H6 = CH2CHOOH + C2H5 8.6E00 3.760 17200 0.0 0.0 0.0 - -// 60atm, 6-900K fit -// CYCOOC. = CH2O + HCO 6.1E10 0.000 914 0.0 0.0 0.0 -// meohcys4e (100 atm) -// CYCOOC. = OCHCHO + H 1.6E13 -1.093 3159 0.0 0.0 0.0 - - - - OCHCHO + H = CH2O + HCO 3.0E13 0.000 0 0.0 0.0 0.0 - OCHCHO + OH = HCO + CO + H2O 6.6E12 0.000 0 0.0 0.0 0.0 - -// HOCH2CH2OO = CH2O + CH2O + OH 9.4E08 0.994 22250 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 = HOCH2CH2OOH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 = > HOCH2CH2O + OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 = > CH2O + CH2OH + OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -// HOCH2CH2OO + HO2 = > CH2O + OH + CH2OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + CH2O = > HOCH2CH2OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -//HOCH2CH2OO + CH2O = > CH2O + CH2OH + OH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -// HOCH2CH2OO + CH2O = > CH2O + OH + CH2OH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -//HOCH2CH2OO + C2H4 = > HOCH2CH2O + CH3CHO 2.2E12 0.000 17200 0.0 0.0 0.0 -// HOCH2CH2OO + C2H4 = > CH2O + CH2OH + CH3CHO 2.2E12 0.000 17200 0.0 0.0 0.0 - - -// -// ***************************************************************************** -// C3 subset * -// ***************************************************************************** -// - - C2H5 + HCO = C2H5CHO 1.8E13 0.000 0 0.0 0.0 0.0 - C2H5 + CO = C2H5CO 1.5E11 0.000 4800 0.0 0.0 0.0 - - CH2CHO + CH3 = C2H5CHO 5.0E13 0.000 0 0.0 0.0 0.0 - - C2H5CHO + H = C2H5CO + H2 8.0E13 0.000 0 0.0 0.0 0.0 - C2H5CHO + O = C2H5CO + OH 7.8E12 0.000 1730 0.0 0.0 0.0 - C2H5CHO + OH = C2H5CO + H2O 1.2E13 0.000 0 0.0 0.0 0.0 - - - - - C3H6 = C2H2 + CH4 3.5E12 0.000 70000 0.0 0.0 0.0 - C3H6 = H2CCCH2 + H2 4.0E13 0.000 80000 0.0 0.0 0.0 - - C3H6 + H = C2H4 + CH3 7.2E12 0.000 1302 0.0 0.0 0.0 - C3H6 + H = CH2CHCH2 + H2 1.7E05 2.500 2492 0.0 0.0 0.0 - C3H6 + H = CH3CCH2 + H2 4.1E05 2.500 9794 0.0 0.0 0.0 - C3H6 + H = CH3CHCH + H2 8.0E05 2.500 12284 0.0 0.0 0.0 - C3H6 + O = C2H5 + HCO 1.6E07 1.760 -1220 0.0 0.0 0.0 - C3H6 + O = CH2CHCH2 + OH 5.2E11 0.700 5884 0.0 0.0 0.0 - C3H6 + O = CH3CHCH + OH 1.2E11 0.700 8959 0.0 0.0 0.0 - C3H6 + O = CH3CCH2 + OH 6.0E10 0.700 7632 0.0 0.0 0.0 - C3H6 + O = CH3CHCO + H + H 5.0E07 1.760 76 0.0 0.0 0.0 - C3H6 + OH = CH2CHCH2 + H2O 3.1E06 2.000 -298 0.0 0.0 0.0 - C3H6 + OH = CH3CCH2 + H2O 1.1E06 2.000 1451 0.0 0.0 0.0 - C3H6 + OH = CH3CHCH + H2O 2.1E06 2.000 2778 0.0 0.0 0.0 - C3H6 + HO2 = CH2CHCH2 + H2O2 9.6E03 2.600 13910 0.0 0.0 0.0 - - C3H6 + HCO = CH2CHCH2 + CH2O 1.1E07 1.900 17010 0.0 0.0 0.0 - C3H6 + CH3 = CH2CHCH2 + CH4 2.2E00 3.500 5675 0.0 0.0 0.0 - C3H6 + CH3 = CH3CCH2 + CH4 8.4E-1 3.500 11656 0.0 0.0 0.0 - C3H6 + CH3 = CH3CHCH + CH4 1.4E00 3.500 12848 0.0 0.0 0.0 - - CH3CHCH + H = C3H6 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CCH2 + H = C3H6 5.0E13 0.000 0 0.0 0.0 0.0 - CH3CHCH + HO2 = C3H6 + O2 2.0E12 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + HO2 = C3H6 + O2 3.0E12 0.000 0 0.0 0.0 0.0 - CH3CCH2 + HO2 = C3H6 + O2 1.0E12 0.000 0 0.0 0.0 0.0 - - CH2CHCH2 + CH2CHCH2 = C3H6 + H2CCCH2 1.0E13 0.000 0 0.0 0.0 0.0 - - - C2H2 + CH3 = CH3CHCH 3.2E35 -7.760 13300 0.0 0.0 0.0 - - CH3CHCH + H = CH2CHCH2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHCH + H = H3CCCH + H2 2.0E13 0.000 0 0.0 0.0 0.0 - CH3CHCH + O = CH3CHCO + H 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHCH + OH = H3CCCH + H2O 1.0E13 0.000 0 0.0 0.0 0.0 - CH3CHCH + O2 = CH3CHO + HCO 1.2E23 -3.290 3892 0.0 0.0 0.0 - CH3CHCH + O2 = CH3CHCO + H + O 1.6E15 -0.780 3135 0.0 0.0 0.0 - - - C2H2 + CH3 = CH3CCH2 5.0E22 -4.390 18850 0.0 0.0 0.0 - - CH3CCH2 + H = CH2CHCH2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CCH2 + H = H3CCCH + H2 4.0E13 0.000 0 0.0 0.0 0.0 - CH3CCH2 + O = CH2CO + CH3 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CCH2 + OH = H3CCCH + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - CH3CCH2 + O2 = CH3CO + CH2O 1.2E22 -3.290 3892 0.0 0.0 0.0 - CH3CCH2 + CH3 = H3CCCH + CH4 1.0E11 0.000 0 0.0 0.0 0.0 - - C2H4 + CH2(S) = CH2CHCH2 + H 1.3E14 0.000 0 0.0 0.0 0.0 - - C2H3 + CH3 = CH2CHCH2 + H 4.7E02 3.700 5677 0.0 0.0 0.0 - - C2H2 + CH3 = CH2CHCH2 2.7E53 -12.820 35730 0.0 0.0 0.0 - - - CH2CHCH2 + H = H2CCCH2 + H2 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + O = CH2CHCHO + H 1.8E14 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + OH = H2CCCH2 + H2O 1.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + HO2 = CH2CHCHO + H + OH 1.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + O2 = H2CCCH2 + HO2 5.0E15 -1.400 22428 0.0 0.0 0.0 - CH2CHCH2 + O2 = CH2CHO + CH2O 1.1E10 0.340 12840 0.0 0.0 0.0 - CH2CHCH2 + O2 = C2H2 + CH2O + OH 2.8E25 -4.800 15468 0.0 0.0 0.0 - CH2CHCH2 + O2 = CH2CHCHO + OH 1.8E13 -0.410 22860 0.0 0.0 0.0 - CH2CHCH2 + CH3 = H2CCCH2 + CH4 3.0E12 -0.300 -131 0.0 0.0 0.0 - - - C2H3 + CH2 = H2CCCH2 + H 3.0E13 0.000 0 0.0 0.0 0.0 - - C2H2 + CH3 = H2CCCH2 + H 5.1E09 0.86 22153 0.0 0.0 0.0 - - H2CCCH2 = H3CCCH 2.2E14 0.000 68100 0.0 0.0 0.0 - H2CCCH2 + H = H3CCCH + H 1.0E13 0.000 5000 0.0 0.0 0.0 - H2CCCH2 + H = H2CCCH + H2 3.0E07 2.000 5000 0.0 0.0 0.0 - H2CCCH2 + H = CH3CHCH 1.1E30 -6.52 15200 0.0 0.0 0.0 - H2CCCH2 + H = CH3CCH2 9.2E38 -8.65 7000 0.0 0.0 0.0 - H2CCCH2 + H = CH2CHCH2 9.6E61 -14.67 26000 0.0 0.0 0.0 - H2CCCH2 + O = C2H4 + CO 2.0E07 1.800 1000 0.0 0.0 0.0 - H2CCCH2 + OH = H2CCCH + H2O 2.0E07 2.000 1000 0.0 0.0 0.0 - H2CCCH2 + CH3 = H2CCCH + CH4 1.3E12 0.000 7700 0.0 0.0 0.0 - H2CCCH2 + C2H = C2H2 + H2CCCH 1.0E13 0.000 0 0.0 0.0 0.0 - C2H2 + CH3 = H3CCCH + H 2.6E09 1.100 13644 0.0 0.0 0.0 - H3CCCH + H = H2CCCH + H2 3.0E07 2.000 5000 0.0 0.0 0.0 - - H3CCCH + O = HCCO + CH3 2.0E13 0.000 2250 0.0 0.0 0.0 - H3CCCH + O = C2H4 + CO 5.8E12 0.000 2250 0.0 0.0 0.0 - H3CCCH + OH = H2CCCH + H2O 2.0E07 2.000 1000 0.0 0.0 0.0 - H3CCCH + O2 = > CH3 + HCO + CO 4.0E14 0.000 41900 0.0 0.0 0.0 - H3CCCH + CH3 = H2CCCH + CH4 1.8E12 0.000 7700 0.0 0.0 0.0 - H3CCCH + C2H = C2H2 + H2CCCH 1.0E13 0.000 0 0.0 0.0 0.0 - - cC3H4 = H2CCCH2 1.5E14 0.000 50450 0.0 0.0 0.0 - cC3H4 = H3CCCH 1.2E15 0.000 43730 0.0 0.0 0.0 - - C2H2 + CH2 = H2CCCH + H 1.2E13 0.000 6621 0.0 0.0 0.0 - C2H2 + CH2(S) = H2CCCH + H 1.8E14 0.000 0 0.0 0.0 0.0 - C2H2 + HCCO = H2CCCH + CO 1.0E11 0.000 3000 0.0 0.0 0.0 - C2H3 + C2H3 = H2CCCH + CH3 1.8E13 0.000 0 0.0 0.0 0.0 - H2CCCH = C3H2 + H 5.2E12 0.000 78447 0.0 0.0 0.0 - - - H2CCCH + H = C3H2 + H2 5.0E13 0.000 1000 0.0 0.0 0.0 - H2CCCH + O = CH2O + C2H 1.4E14 0.000 0 0.0 0.0 0.0 - H2CCCH + OH = C3H2 + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - H2CCCH + OH = CH2O + C2H2 2.0E13 0.000 0 0.0 0.0 0.0 - - H2CCCH + OH = C2H3 + HCO 2.0E13 0.000 0 0.0 0.0 0.0 - - H2CCCH + HO2 = H2CCCH2 + O2 3.0E11 0.000 0 0.0 0.0 0.0 - H2CCCH + HO2 = H3CCCH + O2 3.0E11 0.000 0 0.0 0.0 0.0 - H2CCCH + O2 = CH2CO + HCO 1.7E05 1.70 1500 0.0 0.0 0.0 - H2CCCH + HCO = H2CCCH2 + CO 2.5E13 0.000 0 0.0 0.0 0.0 - H2CCCH + HCO = H3CCCH + CO 2.5E13 0.000 0 0.0 0.0 0.0 - C3H2 + H = C3H + H2 1.0E13 0.000 0 0.0 0.0 0.0 - C2H2 + CH = C3H2 + H 2.1E14 0.000 -121 0.0 0.0 0.0 - C3H2 + O = C2H2 + CO 1.0E14 0.000 0 0.0 0.0 0.0 - C3H2 + OH = C2H2 + HCO 5.0E13 0.000 0 0.0 0.0 0.0 - C3H2 + O2 = HCCO + CO + H 2.0E12 0.000 1000 0.0 0.0 0.0 - C3H + O = C2H + CO 1.0E13 0.000 0 0.0 0.0 0.0 - C3H + O2 = HCCO + CO 1.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCHO + H = C2H4 + HCO 2.0E13 0.000 3500 0.0 0.0 0.0 - CH2CHCHO + H = CH2CHCO + H2 4.0E13 0.000 4200 0.0 0.0 0.0 - CH2CHCHO + O = CH2CHCO + OH 7.2E12 0.000 1970 0.0 0.0 0.0 - CH2CHCHO + O = CH2CO + HCO + H 5.0E07 1.760 76 0.0 0.0 0.0 - CH2CHCHO + OH = CH2CHCO + H2O 1.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCHO + O2 = CH2CHCO + HO2 3.0E13 0.000 36000 0.0 0.0 0.0 - CH2CHCO = C2H3 + CO 1.0E14 0.000 34000 0.0 0.0 0.0 - CH2CHCO + O = C2H3 + CO2 1.0E14 0.000 0 0.0 0.0 0.0 - CH2CHCO + O2 = CH2CHO + CO2 5.4E20 -2.720 7000 0.0 0.0 0.0 - diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C3/new_file.txt.new b/output/RMG_database/kinetics_libraries/Glarborg/C3/new_file.txt.new deleted file mode 100644 index dfd0675735..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C3/new_file.txt.new +++ /dev/null @@ -1,1128 +0,0 @@ -// CFG - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - - - -// Glarborg, -// -// ***************************************************************************** -// H2/O2 subset * -// ***************************************************************************** -// - - H + O2 = O + OH 3.6E15 -0.410 16600 0.0 0.0 0.0 - - - H + H + H2 = H2 + H2 1.0E17 -0.600 0 0.0 0.0 0.0 - H + H + H2O = H2 + H2O 1.0E19 -1.000 0 0.0 0.0 0.0 - - O + H2 = OH + H 3.8E12 0.000 7948 0.0 0.0 0.0 - // DUPLICATE - O + H2 = OH + H 8.8E14 0.000 19175 0.0 0.0 0.0 - // DUPLICATE - - OH + OH = O + H2O 4.3E03 2.700 -1822 0.0 0.0 0.0 - - - OH + H2 = H + H2O 2.1E08 1.520 3449 0.0 0.0 0.0 - H2 + O2 = HO2 + H 7.4E05 2.433 53502 0.0 0.0 0.0 - HO2 + H = OH + OH 8.4E13 0.000 400 0.0 0.0 0.0 - HO2 + H = H2O + O 1.4E12 0.000 0 0.0 0.0 0.0 - HO2 + O = OH + O2 1.6E13 0.000 -445 0.0 0.0 0.0 - - HO2 + OH = H2O + O2 3.6E21 -2.100 9000 0.0 0.0 0.0 - // DUPLICATE - HO2 + OH = H2O + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - // DUPLICATE -// HO2 + OH = H2O + O2 -2.2E96 -24.000 49000 0.0 0.0 0.0 - // DUPLICATE - - HO2 + HO2 = H2O2 + O2 1.9E11 0.000 -1408 0.0 0.0 0.0 - // DUPLICATE - HO2 + HO2 = H2O2 + O2 1.0E14 0.000 11034 0.0 0.0 0.0 - // DUPLICATE - - H2O2 + H = H2O + OH 1.0E13 0.000 3580 0.0 0.0 0.0 - H2O2 + H = HO2 + H2 1.7E12 0.000 3760 0.0 0.0 0.0 - H2O2 + O = HO2 + OH 9.6E06 2.000 3970 0.0 0.0 0.0 - - H2O2 + OH = H2O + HO2 1.9E12 0.000 427 0.0 0.0 0.0 - // DUPLICATE - H2O2 + OH = H2O + HO2 1.6E18 0.000 29410 0.0 0.0 0.0 - // DUPLICATE - -// -// ***************************************************************************** -// CO/CO2 subset * -// ***************************************************************************** -// - - - CO + O2 = CO2 + O 4.7E12 0.000 60500 0.0 0.0 0.0 - CO + HO2 = CO2 + OH 1.6E05 2.180 17943 0.0 0.0 0.0 -// (0.001 bar, 300 CH2O + OH 2.4E12 -0.925 1567 0.0 0.0 0.0 -// 10 atm -//CH2OOH = > CH2O + OH 2.5E13 -0.927 1579 0.0 0.0 0.0 -// 100 atm -//CH2OOH = > CH2O + OH 7.0E14 -1.064 1744 0.0 0.0 0.0 - - - -// -// ***************************************************************************** -// C2 subset * -// ***************************************************************************** -// - - C2H6 + H = C2H5 + H2 9.8E13 0.000 9220 0.0 0.0 0.0 - C2H6 + O = C2H5 + OH 1.1E-07 6.500 274 0.0 0.0 0.0 - C2H6 + OH = C2H5 + H2O 9.2E06 2.000 990 0.0 0.0 0.0 - C2H6 + HO2 = C2H5 + H2O2 1.1E05 2.500 16850 0.0 0.0 0.0 - C2H6 + O2 = C2H5 + HO2 7.3E05 2.500 49160 0.0 0.0 0.0 - - C2H6 + CH3 = C2H5 + CH4 5.6E10 0.000 9418 0.0 0.0 0.0 - // DUPLICATE - C2H6 + CH3 = C2H5 + CH4 8.4E14 0.000 22250 0.0 0.0 0.0 - // DUPLICATE - - C2H6 + CH2(S) = C2H5 + CH3 1.2E14 0.000 0 0.0 0.0 0.0 - - C2H5 + O = CH3 + CH2O 4.2E13 0.000 0 0.0 0.0 0.0 - C2H5 + O = CH3CHO + H 5.3E13 0.000 0 0.0 0.0 0.0 - C2H5 + O = C2H4 + OH 3.1E13 0.000 0 0.0 0.0 0.0 - C2H5 + OH = C2H4 + H2O 2.4E13 0.000 0 0.0 0.0 0.0 - C2H5 + HO2 = CH3CH2O + OH 3.1E13 0.000 0 0.0 0.0 0.0 - - C2H5 + O2 = C2H4 + HO2 1.4E07 1.090 -1975 0.0 0.0 0.0 - - C2H5 + CH2O = C2H6 + HCO 5.5E03 2.810 5860 0.0 0.0 0.0 - C2H5 + HCO = C2H6 + CO 4.3E13 0.000 0 0.0 0.0 0.0 -//C2H5 + HCO = C2H6 + CO 1.2E14 0.000 0 0.0 0.0 0.0 - C2H5 + CH3 = C2H4 + CH4 9.0E11 0.000 0 0.0 0.0 0.0 - C2H5 + C2H5 = C2H6 + C2H4 1.5E12 0.000 0 0.0 0.0 0.0 - - C2H4 + H = C2H3 + H2 2.4E02 3.620 11266 0.0 0.0 0.0 -// CH4 + CH = C2H4 + H 3.0E13 0.000 -400 0.0 0.0 0.0 - CH3 + CH2 = C2H4 + H 4.2E13 0.000 0 0.0 0.0 0.0 - CH3 + CH2(S) = C2H4 + H 2.0E13 0.000 0 0.0 0.0 0.0 - - C2H4 + O = CH3 + HCO 3.9E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - C2H4 + O = CH3 + HCO 6.2E13 0.000 6855 0.0 0.0 0.0 - // DUPLICATE - - C2H4 + O = CH2CHO + H 1.7E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - C2H4 + O = CH2CHO + H 2.8E13 0.000 6855 0.0 0.0 0.0 - // DUPLICATE - -// RMG doesn't like this rate; I replaced it with NIST -// C2H4 + OH = C2H3 + H2O 1.3E-1 4.200 -860 0.0 0.0 0.0 -C2H4 + OH = C2H3 + H2O 5.4E07 1.8 4166 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH3 + CH2O 1.8E06 1.680 2061 0.0 0.0 0.0 -// 10 atm -C2H4 + OH = CH3 + CH2O 2.4E09 0.560 6007 0.0 0.0 0.0 -// fit to 60 atm,600-900K -// C2H4 + OH = CH3 + CH2O 3.3E11 0.000 9079 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH3 + CH2O 2.8E13 -0.500 11455 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH3CHO + H 2.4E-2 3.910 1723 0.0 0.0 0.0 -// 10 atm -C2H4 + OH = CH3CHO + H 8.2E08 1.010 10507 0.0 0.0 0.0 -// fit to 60 atm,600-900K -// C2H4 + OH = CH3CHO + H 1.4E33 -6.114 24907 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH3CHO + H 6.8E09 0.810 13867 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH2CHOH + H 3.2E05 2.190 5256 0.0 0.0 0.0 -// 10 atm -C2H4 + OH = CH2CHOH + H 1.9E08 1.430 7829 0.0 0.0 0.0 -// fit to 60 atm,600-900K -// C2H4 + OH = CH2CHOH + H 1.7E13 0.000 11527 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH2CHOH + H 8.5E10 0.750 11491 0.0 0.0 0.0 - -// 1 atm -//C2H4 + OH = CH2CH2OH 6.0E37 -8.140 8043 0.0 0.0 0.0 -// // DUPLICATE -//C2H4 + OH = CH2CH2OH 7.3E23 -6.910 2855 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H4 + OH = CH2CH2OH 6.0E37 -7.770 10736 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H4 + OH = CH2CH2OH 3.0E26 -4.870 2297 0.0 0.0 0.0 -// // DUPLICATE -//C2H4 + OH = CH2CH2OH 6.0E37 -7.440 14269 0.0 0.0 0.0 -// // DUPLICATE -// fit to 60 atm,600-900K -// C2H4 + OH = CH2CH2OH 2.4E20 -2.399 3294 0.0 0.0 0.0 -// 100 atm -//C2H4 + OH = CH2CH2OH 2.8E19 -2.410 1011 0.0 0.0 0.0 -// // DUPLICATE - - C2H4 + HO2 = cC2H4O + OH 2.2E12 0.000 17200 0.0 0.0 0.0 - C2H4 + O2 = C2H3 + HO2 7.1E13 0.000 60010 0.0 0.0 0.0 - C2H4 + CH3 = C2H3 + CH4 6.0E07 1.560 16630 0.0 0.0 0.0 - - C2H3 + H = C2H2 + H2 4.5E13 0.000 0 0.0 0.0 0.0 -// CH3 + CH = C2H3 + H 3.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + O = CH2CO + H 3.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + OH = C2H2 + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - - C2H3 + HO2 = CH2CHO + OH 3.0E13 0.000 0 0.0 0.0 0.0 -// PM 60 bar -// RMG dislikes; cfg replaced w mclin -// C2H3 + O2 = CH2CHOO 1.1E12 0.000 -1680 0.0 0.0 0.0 -// C.F.Goldsmith replaced the above rate expression from Glarborg with the following rate expression from -// A. M. Mebel, E. W. G. Diau, M. C. Lin, and K. Morokuma J. Am. Chem. Soc. 1996, 118, 9759-9771 http://dx.doi.org/10.1021/ja961476e - C2H3 + O2 = CH2CHOO 3.0E36 -8.0 5680 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2O + HCO 6.3E12 0.000 3130 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2CHO + O 4.8E12 0.000 4800 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = C2H2 + HO2 7.6E11 0.000 7930 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH3O + CO 2.8E11 0.000 3130 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH3 + CO2 1.3E10 0.000 3130 0.0 0.0 0.0 - - - C2H3 + CH2O = C2H4 + HCO 5.4E03 2.810 5860 0.0 0.0 0.0 - C2H3 + HCO = C2H4 + CO 9.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + CH3 = C2H2 + CH4 2.1E13 0.000 0 0.0 0.0 0.0 -// C2H3 + CH = CH2 + C2H2 5.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + C2H3 = C2H4 + C2H2 1.5E13 0.000 0 0.0 0.0 0.0 - C2H3 + C2H = C2H2 + C2H2 3.0E13 0.000 0 0.0 0.0 0.0 - -// CH3 + C = C2H2 + H 5.0E13 0.000 0 0.0 0.0 0.0 -// CH2 + CH = C2H2 + H 4.0E13 0.000 0 0.0 0.0 0.0 - CH2 + CH2 = C2H2 + H + H 3.2E13 0.000 0 0.0 0.0 0.0 -//CH2 + CH2 = C2H2 + H + H 4.0E13 0.000 0 0.0 0.0 0.0 - - C2H2 + O = HCCO + H 1.4E07 2.000 1900 0.0 0.0 0.0 - C2H2 + O = CH2 + CO 6.1E06 2.000 1900 0.0 0.0 0.0 - C2H2 + O = C2H + OH 3.2E15 -0.600 15000 0.0 0.0 0.0 - -// 1 atm -//C2H2 + OH = CH3 + CO 1.3E09 0.730 2579 0.0 0.0 0.0 -// 10 atm -C2H2 + OH = CH3 + CO 4.3E08 0.920 3736 0.0 0.0 0.0 -// 100 atm - C2H2 + OH = CH3 + CO 8.3E05 1.770 4697 0.0 0.0 0.0 - -// 1 atm -//C2H2 + OH = HCCOH + H 2.4E06 2.000 12713 0.0 0.0 0.0 -// 10 atm -C2H2 + OH = HCCOH + H 3.2E06 1.970 12810 0.0 0.0 0.0 -// 100 atm - C2H2 + OH = HCCOH + H 7.3E06 1.890 13603 0.0 0.0 0.0 - -// 1 atm -//C2H2 + OH = CHCHOH 1.9E44 -11.380 6299 0.0 0.0 0.0 -// // DUPLICATE -// 1 atm -//C2H2 + OH = CHCHOH 3.5E31 -6.200 6635 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H2 + OH = CHCHOH 1.5E24 -4.060 3261 0.0 0.0 0.0 -// // DUPLICATE -// 10 atm -C2H2 + OH = CHCHOH 4.5E31 -5.920 8761 0.0 0.0 0.0 -// // DUPLICATE -// 100 atm -// C2H2 + OH = CHCHOH 6.2E20 -2.800 2831 0.0 0.0 0.0 - // DUPLICATE -// 100 atm -// C2H2 + OH = CHCHOH 1.6E29 -4.910 9734 0.0 0.0 0.0 - // DUPLICATE -// >>100 atm -//C2H2 + OH = CHCHOH 1.1E08 1.340 332 0.0 0.0 0.0 -// // DUPLICATE -// >>100 atm -//C2H2 + OH = CHCHOH 6.0E07 1.620 240 0.0 0.0 0.0 -// // DUPLICATE - -// 1 atm -//C2H2 + OH = CH2CO + H 7.5E06 1.550 2106 0.0 0.0 0.0 -// 10 atm -C2H2 + OH = CH2CO + H 5.1E06 1.650 3400 0.0 0.0 0.0 -// 100 atm - C2H2 + OH = CH2CO + H 1.5E04 2.450 4477 0.0 0.0 0.0 - - C2H2 + HO2 = CH2O + HCO 3.0E12 0.000 10000 0.0 0.0 0.0 - C2H2 + HO2 = CH2CHO + O 3.0E12 0.000 10000 0.0 0.0 0.0 - C2H2 + O2 = HCO + HCO 7.0E07 1.800 30600 0.0 0.0 0.0 - C2H2 + CH2(S) = C2H2 + CH2 4.0E13 0.000 0 0.0 0.0 0.0 - - H2CC = C2H2 1.0E07 0.000 0 0.0 0.0 0.0 - H2CC + H = C2H2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - H2CC + OH = CH2CO + H 2.0E13 0.000 0 0.0 0.0 0.0 - H2CC + O2 = CH2 + CO2 1.0E13 0.000 0 0.0 0.0 0.0 - - C2 + H2 = C2H + H 4.0E05 2.40 1000 0.0 0.0 0.0 -// CH2 + C = C2H + H 5.0E13 0.000 0 0.0 0.0 0.0 -// C2H + O = CH + CO 5.0E13 0.000 0 0.0 0.0 0.0 - C2H + OH = HCCO + H 2.0E13 0.000 0 0.0 0.0 0.0 - C2H + OH = C2 + H2O 4.0E07 2.000 8000 0.0 0.0 0.0 - C2H + H2 = C2H2 + H 4.1E05 2.390 864 0.0 0.0 0.0 - C2H + O2 = CO + CO + H 4.7E13 -0.16 0 0.0 0.0 0.0 - C2H + CH4 = CH3 + C2H2 7.2E12 0.000 976 0.0 0.0 0.0 - - -// C2 + O = C + CO 1.0E14 0.000 0 0.0 0.0 0.0 - C2 + OH = C2O + H 5.0E13 0.000 0 0.0 0.0 0.0 - C2 + O2 = CO + CO 9.0E12 0.000 980 0.0 0.0 0.0 - - - CH3CH2OH + H = CH3CHOH + H2 2.6E07 1.650 2827 0.0 0.0 0.0 - CH3CH2OH + H = CH2CH2OH + H2 1.2E07 1.800 5098 0.0 0.0 0.0 - CH3CH2OH + H = CH3CH2O + H2 1.5E07 1.650 3038 0.0 0.0 0.0 - CH3CH2OH + O = CH3CHOH + OH 1.9E07 1.850 1824 0.0 0.0 0.0 - CH3CH2OH + O = CH2CH2OH + OH 9.4E07 1.700 5459 0.0 0.0 0.0 - CH3CH2OH + O = CH3CH2O + OH 1.6E07 2.000 4448 0.0 0.0 0.0 - CH3CH2OH + OH = CH3CHOH + H2O 4.6E11 0.150 0 0.0 0.0 0.0 - CH3CH2OH + OH = CH2CH2OH + H2O 1.7E11 0.270 600 0.0 0.0 0.0 - CH3CH2OH + OH = CH3CH2O + H2O 7.5E11 0.300 1634 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH3CHOH + H2O2 8.2E03 2.550 10750 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH2CH2OH + H2O2 1.2E04 2.550 15750 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH3CH2O + H2O2 2.5E12 0.000 24000 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH3CHOH + CH4 7.3E02 2.990 7948 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH2CH2OH + CH4 2.2E02 3.180 9622 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH3CH2O + CH4 1.5E02 2.990 7649 0.0 0.0 0.0 - - CH3CHOH + O = CH3CHO + OH 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHOH + H = CH2OH + CH3 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CHOH + H = C2H4 + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CHOH + OH = CH3CHO + H2O 5.0E12 0.000 0 0.0 0.0 0.0 - CH3CHOH + HO2 = CH3CHO + OH + OH 4.0E13 0.000 0 0.0 0.0 0.0 - - CH3CHOH + O2 = CH3CHO + HO2 8.4E15 -1.200 0 0.0 0.0 0.0 - // DUPLICATE - CH3CHOH + O2 = CH3CHO + HO2 4.8E14 0.000 5017 0.0 0.0 0.0 - // DUPLICATE - - CH2CH2OH = CH2CHOH + H 2.2E05 2.840 32920 0.0 0.0 0.0 - CH3CH2O = CH2CH2OH 2.8E-29 11.900 4450 0.0 0.0 0.0 - CH2CH2OH + H = CH3 + CH2OH 1.0E14 0.000 0 0.0 0.0 0.0 - - CH2CH2OH + O = CH2O + CH2OH 4.0E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + O = HOCH2CHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + OH = CH2CHOH + H2O 2.4E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + OH = HOCH2CHOH 3.3E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + HO2 = CH3CH2OH + O2 1.0E12 0.000 0 0.0 0.0 0.0 - CH2CH2OH + HO2 = > CH2OH + CH2O + OH 3.0E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + HO2 = HOCH2CH2O + OH 3.0E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + O2 = CH2CHOH + HO2 1.4E07 1.090 -1975 0.0 0.0 0.0 - - CH3CH2O = CH3CHO + H 1.3E13 0.000 20060 0.0 0.0 0.0 - CH3CH2O + H = CH3CHO + H2 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CH2O + OH = CH3CHO + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CH2O + O2 = CH3CHO + HO2 1.5E10 0.000 645 0.0 0.0 0.0 - CH3CH2O + CO = C2H5 + CO2 9.5E25 -4.930 9080 0.0 0.0 0.0 - - - CH3CHO + H = CH3CO + H2 4.7E13 -0.350 3000 0.0 0.0 0.0 - CH3CHO + H = CH2CHO + H2 1.9E12 0.400 5359 0.0 0.0 0.0 - CH3CHO + O = CH3CO + OH 1.8E18 -1.900 2975 0.0 0.0 0.0 - CH3CHO + O = CH2CHO + OH 3.7E13 -0.200 3556 0.0 0.0 0.0 - CH3CHO + OH = CH3CO + H2O 2.4E11 0.300 -1000 0.0 0.0 0.0 - CH3CHO + OH = CH2CHO + H2O 3.0E13 -0.600 800 0.0 0.0 0.0 - CH3CHO + HO2 = CH3CO + H2O2 2.4E19 -2.200 14030 0.0 0.0 0.0 - CH3CHO + HO2 = CH2CHO + H2O2 2.3E11 0.400 14864 0.0 0.0 0.0 - CH3CHO + O2 = CH3CO + HO2 1.2E05 2.500 37554 0.0 0.0 0.0 - CH3CHO + CH3 = CH3CO + CH4 3.9E-07 5.800 2200 0.0 0.0 0.0 - CH3CHO + CH3 = CH2CHO + CH4 2.5E01 3.150 5727 0.0 0.0 0.0 - - cC2H4O = CH2CHO + H 1.8E13 0.200 71780 0.0 0.0 0.0 - cC2H4O = CH3 + HCO 5.6E13 0.400 61880 0.0 0.0 0.0 - cC2H4O = CH3CO + H 2.4E13 0.250 65310 0.0 0.0 0.0 - cC2H4O = CH2CO + H2 3.6E12 -0.200 63030 0.0 0.0 0.0 - cC2H4O = CH3CHO 3.2E12 -0.750 46424 0.0 0.0 0.0 - cC2H4O = C2H2 + H2O 7.6E12 0.060 69530 0.0 0.0 0.0 -//cC2H4O + H = CH3CHO + H 5.6E13 0.000 10950 0.0 0.0 0.0 - cC2H4O + H = cC2H3O + H2 2.0E13 0.000 8310 0.0 0.0 0.0 - cC2H4O + H = C2H3 + H2O 5.0E09 0.000 5000 0.0 0.0 0.0 - cC2H4O + H = C2H4 + OH 9.5E10 0.000 5000 0.0 0.0 0.0 - cC2H4O + O = cC2H3O + OH 1.9E12 0.000 5250 0.0 0.0 0.0 - cC2H4O + OH = cC2H3O + H2O 1.8E13 0.000 3610 0.0 0.0 0.0 - cC2H4O + HO2 = cC2H3O + H2O2 4.0E12 0.000 17000 0.0 0.0 0.0 - cC2H4O + O2 = cC2H3O + HO2 4.0E13 0.000 61500 0.0 0.0 0.0 - cC2H4O + CH3 = cC2H3O + CH4 1.1E12 0.000 11830 0.0 0.0 0.0 - - CH2CHOH + H = CHCHOH + H2 2.4E02 3.630 11266 0.0 0.0 0.0 - CH2CHOH + H = CH2CHO + H2 1.5E07 1.700 3000 0.0 0.0 0.0 - - CH2CHOH + O = CH2OH + HCO 3.9E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - CH2CHOH + O = CH2OH + HCO 6.2E13 0.000 6855 0.0 0.0 0.0 - // DUPLICATE - - CH2CHOH + O = CH2CHO + OH 1.6E07 2.000 4400 0.0 0.0 0.0 - CH2CHOH + OH = CHCHOH + H2O 1.3E-1 4.200 -860 0.0 0.0 0.0 - CH2CHOH + OH = CH2CHO + H2O 7.5E11 0.300 1600 0.0 0.0 0.0 - CH2CHOH + O2 = > CH2O + HCO + OH 3.5E07 1.800 39000 0.0 0.0 0.0 - -// 1 atm -// CHCHOH = HCCOH + H 1.1E31 -6.153 51383 0.0 0.0 0.0 -// 10 atm -CHCHOH = HCCOH + H 1.5E32 -6.168 52239 0.0 0.0 0.0 -// 100 atm -//CHCHOH = HCCOH + H 5.5E29 -5.057 52377 0.0 0.0 0.0 - - CHCHOH + H = CH2CHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CHCHOH + O = OCHCHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CHCHOH + O2 = HCCOH + HO2 1.4E02 3.400 3700 0.0 0.0 0.0 -//#CHCHOH + O2 = OCHCHO + OH 2.5E12 0.000 0 0.0 0.0 0.0 - - cC2H3O = CH2CHO 8.7E31 -6.900 14994 0.0 0.0 0.0 - cC2H3O = CH2CO + H 5.0E13 0.000 14863 0.0 0.0 0.0 - cC2H3O = CH3 + CO 7.1E12 0.000 14280 0.0 0.0 0.0 - - -// ( 0.01 bar) -//CH2CHO = CH2CO + H 2.4E25 -4.800 43424 0.0 0.0 0.0 -// ( 0.1 bar) -//CH2CHO = CH2CO + H 2.4E30 -5.860 46114 0.0 0.0 0.0 -// ( 1 bar) -//CH2CHO = CH2CO + H 1.3E34 -6.570 49454 0.0 0.0 0.0 -// ( 10 bar) -CH2CHO = CH2CO + H 3.5E36 -6.920 52979 0.0 0.0 0.0 -// (100 bar) -// CH2CHO = CH2CO + H 1.2E36 -6.480 55171 0.0 0.0 0.0 -// (high-PL) -//CH2CHO = CH2CO + H 1.4E15 -0.150 45606 0.0 0.0 0.0 - -// ( 0.01 bar) -//CH2CHO = CH3 + CO 1.2E30 -6.070 41332 0.0 0.0 0.0 -// ( 0.1 bar) -//CH2CHO = CH3 + CO 6.4E32 -6.570 44282 0.0 0.0 0.0 -// ( 1 bar) -//CH2CHO = CH3 + CO 6.5E34 -6.870 47191 0.0 0.0 0.0 -// ( 10 bar) -CH2CHO = CH3 + CO 2.2E35 -6.760 49548 0.0 0.0 0.0 -// (100 bar) -// CH2CHO = CH3 + CO 2.2E33 -5.970 50448 0.0 0.0 0.0 -// (high-PL) -//CH2CHO = CH3 + CO 2.9E12 0.290 40326 0.0 0.0 0.0 - - CH2CHO + H = CH3 + HCO 1.0E14 0.000 0 0.0 0.0 0.0 - CH2CHO + H = CH3CO + H 3.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + H = CH2CO + H2 2.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + O = CH2CO + OH 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + OH = CH2CO + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + OH = CH2OH + HCO 1.0E13 0.000 0 0.0 0.0 0.0 - -// 1 atm -//CH2CHO + O2 = CH2O + CO + OH 5.7E17 -1.757 11067 0.0 0.0 0.0 -// 10 atm -CH2CHO + O2 = CH2O + CO + OH 1.1E14 -0.610 11422 0.0 0.0 0.0 -// 100 atm -// CH2CHO + O2 = CH2O + CO + OH 1.5E-10 6.690 4868 0.0 0.0 0.0 - -//#CH2CHO + O2 = OCHCHO + OH 2.2E11 0.000 1500 0.0 0.0 0.0 - CH2CHO + CH3 = C2H5 + CO + H 4.9E14 -0.500 0 0.0 0.0 0.0 - CH2CHO + HO2 = CH2O + HCO + OH 7.0E12 -0.500 0 0.0 0.0 0.0 - CH2CHO + HO2 = CH3CHO + O2 3.0E12 -0.500 0 0.0 0.0 0.0 - CH2CHO + CH2 = C2H4 + HCO 5.0E13 0.000 0 0.0 0.0 0.0 -// CH2CHO + CH = C2H3 + HCO 1.0E14 0.000 0 0.0 0.0 0.0 - -// ( 0.01 bar) -//CH3CO = CH3 + CO 6.9E14 -1.970 14584 0.0 0.0 0.0 -// ( 0.1 bar) -//CH3CO = CH3 + CO 2.0E16 -2.090 15197 0.0 0.0 0.0 -// ( 1 bar) -//CH3CO = CH3 + CO 6.5E18 -2.520 16436 0.0 0.0 0.0 -// ( 10 bar) -CH3CO = CH3 + CO 8.2E19 -2.550 17263 0.0 0.0 0.0 -// (100 bar) -// CH3CO = CH3 + CO 1.3E20 -2.320 18012 0.0 0.0 0.0 -// (high-PL) -//CH3CO = CH3 + CO 1.1E12 0.630 16895 0.0 0.0 0.0 - - CH2CO + H = CH3CO 2.3E08 1.610 2627 0.0 0.0 0.0 - CH3CO + H = CH3 + HCO 2.1E13 0.000 0 0.0 0.0 0.0 - CH3CO + H = CH2CO + H2 1.2E13 0.000 0 0.0 0.0 0.0 - CH3CO + O = CH3 + CO2 1.6E14 0.000 0 0.0 0.0 0.0 - CH3CO + O = CH2CO + OH 5.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + OH = CH2CO + H2O 1.2E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3OO = CH3 + CO2 + CH3O 2.4E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3 = C2H6 + CO 3.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3 = CH2CO + CH4 5.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + O2 = CH2O + CO + OH 1.9E12 0.000 0 0.0 0.0 0.0 - - CH2CO + H = CH3 + CO 3.3E10 0.851 2840 0.0 0.0 0.0 - CH2CO + H = HCCO + H2 3.0E07 2.000 10000 0.0 0.0 0.0 -// CH + CH2O = CH2CO + H 9.5E13 0.000 -517 0.0 0.0 0.0 - CH2CO + O = CO2 + CH2 1.8E12 0.000 1350 0.0 0.0 0.0 - CH2CO + O = HCCO + OH 2.0E07 2.000 10000 0.0 0.0 0.0 - CH2CO + OH = CH2OH + CO 1.0E12 0.000 -1013 0.0 0.0 0.0 - CH2CO + OH = CH3 + CO2 6.7E11 0.000 -1013 0.0 0.0 0.0 - CH2CO + OH = HCCO + H2O 1.0E07 2.000 3000 0.0 0.0 0.0 - CH2CO + CH2(S) = C2H4 + CO 1.6E14 0.000 0 0.0 0.0 0.0 - - HCCOH + H = HCCO + H2 3.0E07 2.000 1000 0.0 0.0 0.0 - HCCOH + O = HCCO + OH 2.0E07 2.000 1900 0.0 0.0 0.0 - HCCOH + OH = HCCO + H2O 1.0E07 2.000 1000 0.0 0.0 0.0 - - - HCCO + H = CH2(S) + CO 1.5E14 0.000 0 0.0 0.0 0.0 - HCCO + O = CO + CO + H 1.0E14 0.000 0 0.0 0.0 0.0 - HCCO + OH = HCO + HCO 1.0E13 0.000 0 0.0 0.0 0.0 - HCCO + OH = C2O + H2O 6.0E13 0.000 0 0.0 0.0 0.0 - HCCO + O2 = CO2 + CO + H 4.9E12 -0.142 1150 0.0 0.0 0.0 - HCCO + O2 = CO + CO + OH 1.6E11 -0.020 1020 0.0 0.0 0.0 - HCCO + O2 = HCO + CO + O 2.2E02 2.690 3540 0.0 0.0 0.0 - HCCO + CH2 = C2H3 + CO 3.0E13 0.000 0 0.0 0.0 0.0 -// HCCO + CH = C2H2 + CO 5.0E13 0.000 0 0.0 0.0 0.0 - HCCO + HCCO = C2H2 + CO + CO 1.0E13 0.000 0 0.0 0.0 0.0 - - - -// C2O + H = CH + CO 1.3E13 0.000 0 0.0 0.0 0.0 - C2O + O = CO + CO 5.2E13 0.000 0 0.0 0.0 0.0 - C2O + OH = CO + CO + H 2.0E13 0.000 0 0.0 0.0 0.0 - C2O + O2 = CO + CO + O 1.0E13 0.000 2600 0.0 0.0 0.0 - C2O + O2 = CO + CO2 1.0E13 0.000 2600 0.0 0.0 0.0 - -// C2O + C = CO + C2 1.0E14 0.000 0 0.0 0.0 0.0 - -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b], 1 bar) -// CH3CH2OOH = CH3CH2O + OH 2.0E35 -6.700 47450 0.0 0.0 0.0 -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b], 10 bar) -CH3CH2OOH = CH3CH2O + OH 1.1E28 -4.150 46190 0.0 0.0 0.0 -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b], 50 bar) -//CH3CH2OOH = CH3CH2O + OH 2.8E26 -3.500 46340 0.0 0.0 0.0 -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b],high P limit) -//CH3CH2OOH = CH3CH2O + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - - CH3CH2OOH + H = CH3CHO + OH + H2 6.5E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + H = CH3CH2OO + H2 4.3E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + H = CH3CH2O + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + O = CH3CHO + OH + OH 1.6E13 0.000 4750 0.0 0.0 0.0 - CH3CH2OOH + O = CH3CH2OO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH3CH2OOH + OH = CH3CHO + OH + H2O 7.2E11 0.000 -258 0.0 0.0 0.0 - CH3CH2OOH + OH = CH3CH2OO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH3CH2OOH + HO2 = CH3CH2OO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - - - CH3CH2OO + H = CH3CH2O + OH 9.6E13 0.000 0 0.0 0.0 0.0 - CH3CH2OO + O = CH3CH2O + O2 1.6E13 0.000 -145 0.0 0.0 0.0 - CH3CH2OO + OH = CH3CH2OH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH3CH2OO + OH = CH3CH2O + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH3CH2OO + HO2 = CH3CH2OOH + O2 4.5E11 0.000 -1391 0.0 0.0 0.0 - CH3CH2OO + CO = CH3CH2O + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH3CH2OO + CH3 = CH3CH2O + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3CH2OO + CH4 = CH3CH2OOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH3CH2OO + CH3OH = CH3CH2OOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH3CH2OO + CH2O = CH3CH2OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH3CH2OO + C2H5 = CH3CH2O + CH3CH2O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3CH2OO + C2H6 = CH3CH2OOH + C2H5 8.6E00 3.760 17200 0.0 0.0 0.0 - CH3CH2OO + CH3CHO = CH3CH2OOH + CH3CO 2.4E19 -2.200 14030 0.0 0.0 0.0 - CH3CH2OO + CH3CHO = CH3CH2OOH + CH2CHO 2.3E11 0.400 14864 0.0 0.0 0.0 - CH3CH2OO + CH3CH2OO = CH3CH2O + CH3CH2O + O2 2.9E11 -0.270 408 0.0 0.0 0.0 - CH3CH2OO + CH3CH2OO = CH3CHO + CH3CH2OH + O2 4.3E09 0.000 -850 0.0 0.0 0.0 - -// 1 atm -//CH3CHO + OH = CH3CHO + OH 3.5E12 -0.947 979 0.0 0.0 0.0 -// 10 atm -//CH3CHOOH = CH3CHO + OH 3.5E13 -0.947 980 0.0 0.0 0.0 -// 100 atm -//CH3CHOOH = CH3CHO + OH 5.8E14 -1.012 1068 0.0 0.0 0.0 - - CH2CH2OOH = cC2H4O + OH 1.3E10 0.720 15380 0.0 0.0 0.0 - CH2CH2OOH = CH3CH2OO 1.2E07 1.040 17980 0.0 0.0 0.0 - CH2CH2OOH = C2H4 + HO2 1.3E11 0.520 16150 0.0 0.0 0.0 - -// est = CH3OOH = CH3O + OH, 1 bar -// CH2CHOOH = CH2CHO + OH 2.0E35 -6.700 47450 0.0 0.0 0.0 -// est = CH3OOH = CH3O + OH, 10 bar) -CH2CHOOH = CH2CHO + OH 1.1E28 -4.150 46190 0.0 0.0 0.0 -// est = CH3OOH = CH3O + OH, 50 bar) -//CH2CHOOH = CH2CHO + OH 2.8E26 -3.500 46340 0.0 0.0 0.0 -// est = CH3OOH = CH3O + OH,high P limit) -//CH2CHOOH = CH2CHO + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - - CH2CHOOH + H = CH2CHOO + H2 4.3E10 0.000 1860 0.0 0.0 0.0 - CH2CHOOH + H = CH2CHO + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH2CHOOH + O = CH2CHOO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH2CHOOH + OH = CH2CHOO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH2CHOOH + HO2 = CH2CHOO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - -// 100 atm - CH2CHOO = C2H2 + HO2 9.6E48 -8.868 110591 0.0 0.0 0.0 -// 100 atm - CH2CHOO = CH2O + HCO 3.1E47 -8.701 111046 0.0 0.0 0.0 -// 60atm, 6-900K fit -// CH2CHOO = CYCOOC. 3.9E09 0.000 22250 0.0 0.0 0.0 -// 100 atm -//CH2CHOO = CYCOOC. 1.1E19 -2.782 26427 0.0 0.0 0.0 - - CH2CHOO + H = CH2CHO + OH 9.6E13 0.000 0 0.0 0.0 0.0 - CH2CHOO + O = CH2CHO + O2 1.6E13 0.000 -145 0.0 0.0 0.0 - CH2CHOO + OH = CH2CHOH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH2CHOO + OH = CH2CHO + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH2CHOO + HO2 = CH2CHOOH + O2 4.5E11 0.000 -1391 0.0 0.0 0.0 - CH2CHOO + CO = CH2CHO + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH2CHOO + CH3 = CH2CHO + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH2CHOO + CH4 = CH2CHOOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH2CHOO + CH3OH = CH2CHOOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH2CHOO + CH2O = CH2CHOOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH2CHOO + C2H6 = CH2CHOOH + C2H5 8.6E00 3.760 17200 0.0 0.0 0.0 - -// 60atm, 6-900K fit -// CYCOOC. = CH2O + HCO 6.1E10 0.000 914 0.0 0.0 0.0 -// meohcys4e (100 atm) -// CYCOOC. = OCHCHO + H 1.6E13 -1.093 3159 0.0 0.0 0.0 - - - - OCHCHO + H = CH2O + HCO 3.0E13 0.000 0 0.0 0.0 0.0 - OCHCHO + OH = HCO + CO + H2O 6.6E12 0.000 0 0.0 0.0 0.0 - -// HOCH2CH2OO = CH2O + CH2O + OH 9.4E08 0.994 22250 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 = HOCH2CH2OOH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 = > HOCH2CH2O + OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 = > CH2O + CH2OH + OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -// HOCH2CH2OO + HO2 = > CH2O + OH + CH2OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + CH2O = > HOCH2CH2OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -//HOCH2CH2OO + CH2O = > CH2O + CH2OH + OH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -// HOCH2CH2OO + CH2O = > CH2O + OH + CH2OH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -//HOCH2CH2OO + C2H4 = > HOCH2CH2O + CH3CHO 2.2E12 0.000 17200 0.0 0.0 0.0 -// HOCH2CH2OO + C2H4 = > CH2O + CH2OH + CH3CHO 2.2E12 0.000 17200 0.0 0.0 0.0 - - -// -// ***************************************************************************** -// C3 subset * -// ***************************************************************************** -// - - C2H5 + HCO = C2H5CHO 1.8E13 0.000 0 0.0 0.0 0.0 - C2H5 + CO = C2H5CO 1.5E11 0.000 4800 0.0 0.0 0.0 - - CH2CHO + CH3 = C2H5CHO 5.0E13 0.000 0 0.0 0.0 0.0 - - C2H5CHO + H = C2H5CO + H2 8.0E13 0.000 0 0.0 0.0 0.0 - C2H5CHO + O = C2H5CO + OH 7.8E12 0.000 1730 0.0 0.0 0.0 - C2H5CHO + OH = C2H5CO + H2O 1.2E13 0.000 0 0.0 0.0 0.0 - - - - - C3H6 = C2H2 + CH4 3.5E12 0.000 70000 0.0 0.0 0.0 - C3H6 = H2CCCH2 + H2 4.0E13 0.000 80000 0.0 0.0 0.0 - - C3H6 + H = C2H4 + CH3 7.2E12 0.000 1302 0.0 0.0 0.0 - C3H6 + H = CH2CHCH2 + H2 1.7E05 2.500 2492 0.0 0.0 0.0 - C3H6 + H = CH3CCH2 + H2 4.1E05 2.500 9794 0.0 0.0 0.0 - C3H6 + H = CH3CHCH + H2 8.0E05 2.500 12284 0.0 0.0 0.0 - C3H6 + O = C2H5 + HCO 1.6E07 1.760 -1220 0.0 0.0 0.0 - C3H6 + O = CH2CHCH2 + OH 5.2E11 0.700 5884 0.0 0.0 0.0 - C3H6 + O = CH3CHCH + OH 1.2E11 0.700 8959 0.0 0.0 0.0 - C3H6 + O = CH3CCH2 + OH 6.0E10 0.700 7632 0.0 0.0 0.0 - C3H6 + O = CH3CHCO + H + H 5.0E07 1.760 76 0.0 0.0 0.0 - C3H6 + OH = CH2CHCH2 + H2O 3.1E06 2.000 -298 0.0 0.0 0.0 - C3H6 + OH = CH3CCH2 + H2O 1.1E06 2.000 1451 0.0 0.0 0.0 - C3H6 + OH = CH3CHCH + H2O 2.1E06 2.000 2778 0.0 0.0 0.0 - C3H6 + HO2 = CH2CHCH2 + H2O2 9.6E03 2.600 13910 0.0 0.0 0.0 - - C3H6 + HCO = CH2CHCH2 + CH2O 1.1E07 1.900 17010 0.0 0.0 0.0 - C3H6 + CH3 = CH2CHCH2 + CH4 2.2E00 3.500 5675 0.0 0.0 0.0 - C3H6 + CH3 = CH3CCH2 + CH4 8.4E-1 3.500 11656 0.0 0.0 0.0 - C3H6 + CH3 = CH3CHCH + CH4 1.4E00 3.500 12848 0.0 0.0 0.0 - - CH3CHCH + H = C3H6 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CCH2 + H = C3H6 5.0E13 0.000 0 0.0 0.0 0.0 - CH3CHCH + HO2 = C3H6 + O2 2.0E12 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + HO2 = C3H6 + O2 3.0E12 0.000 0 0.0 0.0 0.0 - CH3CCH2 + HO2 = C3H6 + O2 1.0E12 0.000 0 0.0 0.0 0.0 - - CH2CHCH2 + CH2CHCH2 = C3H6 + H2CCCH2 1.0E13 0.000 0 0.0 0.0 0.0 - - - C2H2 + CH3 = CH3CHCH 3.2E35 -7.760 13300 0.0 0.0 0.0 - - CH3CHCH + H = CH2CHCH2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHCH + H = H3CCCH + H2 2.0E13 0.000 0 0.0 0.0 0.0 - CH3CHCH + O = CH3CHCO + H 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHCH + OH = H3CCCH + H2O 1.0E13 0.000 0 0.0 0.0 0.0 - CH3CHCH + O2 = CH3CHO + HCO 1.2E23 -3.290 3892 0.0 0.0 0.0 - CH3CHCH + O2 = CH3CHCO + H + O 1.6E15 -0.780 3135 0.0 0.0 0.0 - - - C2H2 + CH3 = CH3CCH2 5.0E22 -4.390 18850 0.0 0.0 0.0 - - CH3CCH2 + H = CH2CHCH2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CCH2 + H = H3CCCH + H2 4.0E13 0.000 0 0.0 0.0 0.0 - CH3CCH2 + O = CH2CO + CH3 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CCH2 + OH = H3CCCH + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - CH3CCH2 + O2 = CH3CO + CH2O 1.2E22 -3.290 3892 0.0 0.0 0.0 - CH3CCH2 + CH3 = H3CCCH + CH4 1.0E11 0.000 0 0.0 0.0 0.0 - - C2H4 + CH2(S) = CH2CHCH2 + H 1.3E14 0.000 0 0.0 0.0 0.0 - - C2H3 + CH3 = CH2CHCH2 + H 4.7E02 3.700 5677 0.0 0.0 0.0 - - C2H2 + CH3 = CH2CHCH2 2.7E53 -12.820 35730 0.0 0.0 0.0 - - - CH2CHCH2 + H = H2CCCH2 + H2 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + O = CH2CHCHO + H 1.8E14 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + OH = H2CCCH2 + H2O 1.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + HO2 = CH2CHCHO + H + OH 1.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + O2 = H2CCCH2 + HO2 5.0E15 -1.400 22428 0.0 0.0 0.0 - CH2CHCH2 + O2 = CH2CHO + CH2O 1.1E10 0.340 12840 0.0 0.0 0.0 - CH2CHCH2 + O2 = C2H2 + CH2O + OH 2.8E25 -4.800 15468 0.0 0.0 0.0 - CH2CHCH2 + O2 = CH2CHCHO + OH 1.8E13 -0.410 22860 0.0 0.0 0.0 - CH2CHCH2 + CH3 = H2CCCH2 + CH4 3.0E12 -0.300 -131 0.0 0.0 0.0 - - - C2H3 + CH2 = H2CCCH2 + H 3.0E13 0.000 0 0.0 0.0 0.0 - - C2H2 + CH3 = H2CCCH2 + H 5.1E09 0.86 22153 0.0 0.0 0.0 - - H2CCCH2 = H3CCCH 2.2E14 0.000 68100 0.0 0.0 0.0 - H2CCCH2 + H = H3CCCH + H 1.0E13 0.000 5000 0.0 0.0 0.0 - H2CCCH2 + H = H2CCCH + H2 3.0E07 2.000 5000 0.0 0.0 0.0 - H2CCCH2 + H = CH3CHCH 1.1E30 -6.52 15200 0.0 0.0 0.0 - H2CCCH2 + H = CH3CCH2 9.2E38 -8.65 7000 0.0 0.0 0.0 - H2CCCH2 + H = CH2CHCH2 9.6E61 -14.67 26000 0.0 0.0 0.0 - H2CCCH2 + O = C2H4 + CO 2.0E07 1.800 1000 0.0 0.0 0.0 - H2CCCH2 + OH = H2CCCH + H2O 2.0E07 2.000 1000 0.0 0.0 0.0 - H2CCCH2 + CH3 = H2CCCH + CH4 1.3E12 0.000 7700 0.0 0.0 0.0 - H2CCCH2 + C2H = C2H2 + H2CCCH 1.0E13 0.000 0 0.0 0.0 0.0 - C2H2 + CH3 = H3CCCH + H 2.6E09 1.100 13644 0.0 0.0 0.0 - H3CCCH + H = H2CCCH + H2 3.0E07 2.000 5000 0.0 0.0 0.0 - - H3CCCH + O = HCCO + CH3 2.0E13 0.000 2250 0.0 0.0 0.0 - H3CCCH + O = C2H4 + CO 5.8E12 0.000 2250 0.0 0.0 0.0 - H3CCCH + OH = H2CCCH + H2O 2.0E07 2.000 1000 0.0 0.0 0.0 - H3CCCH + O2 = > CH3 + HCO + CO 4.0E14 0.000 41900 0.0 0.0 0.0 - H3CCCH + CH3 = H2CCCH + CH4 1.8E12 0.000 7700 0.0 0.0 0.0 - H3CCCH + C2H = C2H2 + H2CCCH 1.0E13 0.000 0 0.0 0.0 0.0 - - cC3H4 = H2CCCH2 1.5E14 0.000 50450 0.0 0.0 0.0 - cC3H4 = H3CCCH 1.2E15 0.000 43730 0.0 0.0 0.0 - - C2H2 + CH2 = H2CCCH + H 1.2E13 0.000 6621 0.0 0.0 0.0 - C2H2 + CH2(S) = H2CCCH + H 1.8E14 0.000 0 0.0 0.0 0.0 - C2H2 + HCCO = H2CCCH + CO 1.0E11 0.000 3000 0.0 0.0 0.0 - C2H3 + C2H3 = H2CCCH + CH3 1.8E13 0.000 0 0.0 0.0 0.0 - H2CCCH = C3H2 + H 5.2E12 0.000 78447 0.0 0.0 0.0 - - - H2CCCH + H = C3H2 + H2 5.0E13 0.000 1000 0.0 0.0 0.0 - H2CCCH + O = CH2O + C2H 1.4E14 0.000 0 0.0 0.0 0.0 - H2CCCH + OH = C3H2 + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - H2CCCH + OH = CH2O + C2H2 2.0E13 0.000 0 0.0 0.0 0.0 - - H2CCCH + OH = C2H3 + HCO 2.0E13 0.000 0 0.0 0.0 0.0 - - H2CCCH + HO2 = H2CCCH2 + O2 3.0E11 0.000 0 0.0 0.0 0.0 - H2CCCH + HO2 = H3CCCH + O2 3.0E11 0.000 0 0.0 0.0 0.0 - H2CCCH + O2 = CH2CO + HCO 1.7E05 1.70 1500 0.0 0.0 0.0 - H2CCCH + HCO = H2CCCH2 + CO 2.5E13 0.000 0 0.0 0.0 0.0 - H2CCCH + HCO = H3CCCH + CO 2.5E13 0.000 0 0.0 0.0 0.0 - C3H2 + H = C3H + H2 1.0E13 0.000 0 0.0 0.0 0.0 - C2H2 + CH = C3H2 + H 2.1E14 0.000 -121 0.0 0.0 0.0 - C3H2 + O = C2H2 + CO 1.0E14 0.000 0 0.0 0.0 0.0 - C3H2 + OH = C2H2 + HCO 5.0E13 0.000 0 0.0 0.0 0.0 - C3H2 + O2 = HCCO + CO + H 2.0E12 0.000 1000 0.0 0.0 0. \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C3/pdepreactions.txt b/output/RMG_database/kinetics_libraries/Glarborg/C3/pdepreactions.txt deleted file mode 100644 index 0f0e4361ff..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C3/pdepreactions.txt +++ /dev/null @@ -1,452 +0,0 @@ -// CFG from Glarborg - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - -// C1 - CH2O (+M) = HCO + H (+M) 8.0E15 0.000 87726 0.0 0.0 0.0 - N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ - LOW /3.734E15 0.0 73479/ - - CH2O (+M) = CO + H2 (+M) 3.7E13 0.000 71969 0.0 0.0 0.0 - N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ - LOW /5.661E15 0.0 65849/ - -// CFG from Glarborg; extra collision efficiencies taken from Leeds - - H + O2 (+M) = HO2 (+M) 1.5E12 0.600 0 0.0 0.0 0.0 - N2/0/ AR/0/ H2O/11/ H2/2/ O2/0.78/ - LOW / 3.5E16 -0.41 -1116 / - TROE / 0.5 1.0E-30 1.0E30 / - - -// H + O2 (+AR) = HO2 (+AR) 1.5E12 0.600 0 0.0 0.0 0.0 -// LOW / 9.04E19 -1.500 490 / -// TROE / 0.5 1.0E-30 1.0E30 / - -// H + O2 (+N2) = HO2 (+N2) 1.5E12 0.600 0 0.0 0.0 0.0 -// LOW / 6.37E20 -1.720 520 / -// TROE / 0.8 1.0E-30 1.0E30 / - - - H2O2 (+M) = OH + OH (+M) 4.0E11 0.000 37137 0.0 0.0 0.0 - H2O/12/ H2/2.5/ AR/0.64/ - LOW /2.291E16 0.0 43638/ - TROE /0.5 1E-30 1E30 1E30/ - - - - CO + O (+M) = CO2 (+M) 1.8E10 0.000 2384 0.0 0.0 0.0 - H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ - LOW /1.35E24 -2.79 4191/ - TROE /1.0 1E-30 1E30 1E30/ - - -// C1 system - - CH3 + H (+M) = CH4 (+M) 2.1E14 0.000 0 0.0 0.0 0.0 - CH4/1.9/ C2H6/4.8/ - LOW /6.467E23 -1.8 0/ - TROE /0.6376 1E-30 3230 1E30/ - - - - CH2 + H (+M) = CH3 (+M) 3.8E16 -0.800 0 0.0 0.0 0.0 - N2/1.0/ H2O/6/ AR/0.7/ - LOW / 4.8E27 -3.14 1230/ - TROE/ 0.68 78 1995 5590 / - - - - - CH3 + CH3 (+M) = C2H6 (+M) 3.6E13 0.000 0 0.0 0.0 0.0 - N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ - LOW /1.269E41 -7.0 2762/ - TROE /0.62 73 1180 1E30/ - - - CH3OH (+M) = CH3 + OH (+M) 2.1E18 -0.6148 92540 0.0 0.0 0.0 - N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ - LOW /2.60E49 -8.80 101500/ - TROE /0.7656 1910 59.51 9374/ - - - CH2OH (+M) = CH2O + H (+M) 2.8E14 -0.730 32820 0.0 0.0 0.0 - H2/2/ H2O/5/ CO/2/ CO2/3/ - LOW /6.01E33 -5.39 36200/ - TROE /0.96 67.6 1855 7543/ - - - CH2OH + H (+M) = CH3OH (+M) 4.3E15 -0.790 0 0.0 0.0 0.0 - N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ - LOW /3.844E37 -6.21 1333/ - TROE /0.25 210 1434 1E30/ - - CH3O (+M) = CH2O + H (+M) 6.8E13 0.000 26154 0.0 0.0 0.0 - N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ - LOW /1.867E25 -3.0 24291/ - TROE /0.5 1000 2000/ - - - CH3O + H (+M) = CH3OH (+M) 2.4E12 0.515 50 0.0 0.0 0.0 - N2/1/ H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ - LOW /4.66E41 -7.44 14080/ - TROE /0.7 100 90000 10000/ - - - CH2CHCH2 + H (+M) = C3H6 (+M) 2.0E14 0.000 0 0.0 0.0 0.0 -H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/C2H2/3.00/ C2H4/3.00/ - LOW / 1.3E60 -12.0 5970/ - TROE/ 0.020 1097 1097 6860 / - - C2H3 + CH3 (+M) = C3H6 (+M) 2.5E13 0.000 0 0.0 0.0 0.0 - H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/C2H2/3.00/ C2H4/3.00/ - LOW / 4.3E58 -11.94 9770/ - TROE / 0.175 1341 60000 10140 / - - H2CCCH2 + H (+M) = CH3CCH2 (+M) 8.5E12 0.000 2000 0.0 0.0 0.0 - H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/C2H2/3.00/ C2H4/3.00/ - LOW/1.1E34 -5.0 4450./ - TROE/0.7086 134 1784 5740/ - - H3CCCH + H (+M) = CH3CCH2 (+M) 6.5E12 0.000 2000 0.0 0.0 0.0 -H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/C2H2/3.00/ C2H4/3.00/ - LOW / 8.45E39 -7.270 6577.0/ - TROE/0.7086 134 1784 5740/ - - H2CCCH2 + H (+M) = CH2CHCH2 (+M) 1.2E11 0.690 3007 0.0 0.0 0.0 -H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/C2H2/3.00/ C2H4/3.00/ - LOW / 5.56E33 -5.000 4448.0/ - TROE/0.7086 134 1784 5740/ - - H2CCCH + H (+M) = H2CCCH2 (+M) 1.0E17 -0.820 315 0.0 0.0 0.0 - H2/2/ CO/2/ CO2/3/ H2O/8.6/ - LOW/3.5E55 -4.88 2225/ - TROE/0.7086 134 1784 5740/ - - - H2CCCH + H (+M) = H3CCCH (+M) 1.0E17 -0.820 315 0.0 0.0 0.0 - H2/2/ CO/2/ CO2/3/ H2O/8.6/ - LOW/3.5E55 -4.88 2225/ - TROE/0.7086 134 1784 5740/ - -//reduced by cfg - -H + H + M = H2 + M 7.0E17 -1.000 0 0.0 0.0 0.0 - N2/0/ H2O/0/ H2/0/ - - H + O + M = OH + M 6.2E16 -0.600 0 0.0 0.0 0.0 - H2O/5/ - - O + O + M = O2 + M 1.9E13 0.000 -1788 0.0 0.0 0.0 - N2/1.5/ O2/1.5/ H2O/10/ - - - OH + H + M = H2O + M 4.5E22 -2.000 0 0.0 0.0 0.0 - AR/0.38/ H2/0.73/ H2O/12/ - -// C1 - - //CH2 + M = CH + H + M 5.6E15 0.000 89000 0.0 0.0 0.0 - //CH2 + M = C + H2 + M 5.8E12 0.500 68500 0.0 0.0 0.0 - - - CH2(S) + M = CH2 + M 1.0E13 0.000 0 0.0 0.0 0.0 - N2/0/ H2O/0/ AR/0/ H/0/ - - -// ***************************************************************************** -// PLOG Reactions: CO/CO2 subset * -// ***************************************************************************** - -// (0.001-2000 bar, 300 CH2O + OH 2.4E12 -0.925 1567 0.0 0.0 0.0 -// 10 atm -//CH2OOH => CH2O + OH 2.5E13 -0.927 1579 0.0 0.0 0.0 -// 100 atm -//CH2OOH => CH2O + OH 7.0E14 -1.064 1744 0.0 0.0 0.0 -// However, if it did exist, it would look something like this in PLOG form: -// // High-P limit rate is Garborg's 100 atm rate -// CH2OOH => CH2O + OH 7.0E14 -1.064 1744 0.0 0.0 0.0 -// PLOG / 1 2.4E12 -0.925 1567 / -// PLOG / 10 2.5E13 -0.927 1579 / -// PLOG / 100 7.0E14 -1.064 1744 / - -// ***************************************************************************** -// PLOG Reactions: C2 subset * -// ***************************************************************************** - - - -// JIM/GLA08 fit to SEN/MIL06 60 atm,600-900K -// C2H4+OH=CH3+CH2O 3.3E11 0.000 9079 -// High-P limit rate is Garborg's 100 atm rate -C2H4 + OH = CH3 + CH2O 2.8E13 -0.500 11455 0.0 0.0 0.0 - PLOG / 1 1.8E06 1.680 2061 / - PLOG / 10 2.4E09 0.560 6007 / - PLOG / 100 2.8E13 -0.500 11455 / - -// JIM/GLA08 fit to SEN/MIL06 60 atm,600-900K -// C2H4+OH=CH3CHO+H 1.4E33 -6.114 24907 -// High-P limit rate is Garborg's 100 atm rate -C2H4 + OH = CH3CHO + H 6.8E09 0.810 13867 0.0 0.0 0.0 - PLOG / 1 2.4E-2 3.910 1723 / - PLOG / 10 8.2E08 1.010 10507 / - PLOG / 100 6.8E09 0.810 13867 / - -// JIM/GLA08 fit to SEN/MIL06 60 atm,600-900K -// C2H4+OH=CH2CHOH+H 1.7E13 0.000 11527 -// High-P limit rate is Garborg's 100 atm rate -C2H4 + OH = CH2CHOH + H 8.5E10 0.750 11491 0.0 0.0 0.0 - PLOG / 1 3.2E05 2.190 5256 / - PLOG / 10 1.9E08 1.430 7829 / - PLOG / 100 8.5E10 0.750 11491 / - -// High-P limit rate is Garborg's 100 atm rate -C2H4 + OH = CH2CH2OH 6.0E37 -7.440 14269 0.0 0.0 0.0 - PLOG / 1 6.0E37 -8.140 8043 / - PLOG / 10 6.0E37 -7.770 10736 / - PLOG / 100 6.0E37 -7.440 14269 / -DUPLICATE - -// High-P limit rate is Garborg's 100 atm rate -C2H4 + OH = CH2CH2OH 2.8E19 -2.410 1011 0.0 0.0 0.0 - PLOG / 1 7.3E23 -6.910 2855 / - PLOG / 10 3.0E26 -4.870 2297 / - PLOG / 100 2.8E19 -2.410 1011 / -DUPLICATE -// High-P limit rate is Garborg's 100 atm rate -C2H2 + OH = CH3 + CO 8.3E05 1.770 4697 0.0 0.0 0.0 - PLOG / 1 1.3E09 0.730 2579 / - PLOG / 10 4.3E08 0.920 3736 / - PLOG / 100 8.3E05 1.770 4697 / - - -// High-P limit rate is Garborg's 100 atm rate -C2H2 + OH = HCCOH + H 7.3E06 1.890 13603 0.0 0.0 0.0 - PLOG / 1 2.4E06 2.000 12713 / - PLOG / 10 3.2E06 1.970 12810 / - PLOG / 100 7.3E06 1.890 13603 / - -// High-P limit rate is Garborg's >>100 atm rate -// 1000 atm rate is Glarborg's ">>100 atm" rate -C2H2 + OH = CHCHOH 1.1E08 1.340 332 0.0 0.0 0.0 - PLOG / 1 1.9E44 -11.380 6299 / - PLOG / 10 1.5E24 -4.060 3261 / - PLOG / 100 6.2E20 -2.800 2831 / - PLOG / 1000 1.1E08 1.340 332 / -DUPLICATE - -// High-P limit rate is Garborg's >>100 atm rate -// 1000 atm rate is Glarborg's ">>100 atm" rate -C2H2 + OH = CHCHOH 6.0E07 1.620 240 0.0 0.0 0.0 - PLOG / 1 3.5E31 -6.200 6635 / - PLOG / 10 4.5E31 -5.920 8761 / - PLOG / 100 1.6E29 -4.910 9734 / - PLOG / 1000 6.0E07 1.620 240 / -DUPLICATE - -// High-P limit rate is Garborg's 100 atm rate -C2H2 + OH = CH2CO + H 1.5E04 2.450 4477 0.0 0.0 0.0 - PLOG / 1 7.5E06 1.550 2106 / - PLOG / 10 5.1E06 1.650 3400 / - PLOG / 100 1.5E04 2.450 4477 / - - // High-P limit rate is Garborg's 100 atm rate -CHCHOH = HCCOH + H 5.5E29 -5.057 52377 0.0 0.0 0.0 - PLOG / 1 1.1E31 -6.153 51383 / - PLOG / 10 1.5E32 -6.168 52239 / - PLOG / 100 5.5E29 -5.057 52377 / - - // High-P limit rate is Garborg's high-PL rate -CH2CHO = CH2CO + H 1.4E15 -0.150 45606 0.0 0.0 0.0 - PLOG / 0.01 2.4E25 -4.800 43424 / - PLOG / 0.1 2.4E30 -5.860 46114 / - PLOG / 1 1.3E34 -6.570 49454 / - PLOG / 10 3.5E36 -6.920 52979 / - PLOG / 100 1.2E36 -6.480 55171 / - -// High-P limit rate is Garborg's high-PL rate -CH2CHO = CH3 + CO 2.9E12 0.290 40326 0.0 0.0 0.0 - PLOG / 0.01 1.2E30 -6.070 41332 / - PLOG / 0.1 6.4E32 -6.570 44282 / - PLOG / 1 6.5E34 -6.870 47191 / - PLOG / 10 2.2E35 -6.760 49548 / - PLOG / 100 2.2E33 -5.970 50448 / - - // High-P limit rate is Garborg's 100 atm rate -CH2CHO + O2 = CH2O + CO + OH 1.5E-10 6.690 4868 0.0 0.0 0.0 - PLOG / 1 5.7E17 -1.757 11067 / - PLOG / 10 1.1E14 -0.610 11422 / - PLOG / 100 1.5E-10 6.690 4868 / - -// High-P limit rate is Garborg's high-PL rate -CH3CO = CH3 + CO 1.1E12 0.630 16895 0.0 0.0 0.0 - PLOG / 0.01 6.9E14 -1.970 14584 / - PLOG / 0.1 2.0E16 -2.090 15197 / - PLOG / 1 6.5E18 -2.520 16436 / - PLOG / 10 8.2E19 -2.550 17263 / - PLOG / 100 1.3E20 -2.320 18012 / - -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b],high P limit) -// High-P limit rate is Garborg's high-PL rate -CH3CH2OOH = CH3CH2O + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - PLOG / 1 2.0E35 -6.700 47450 / - PLOG / 10 1.1E28 -4.150 46190 / - PLOG / 50 2.8E26 -3.500 46340 / - -// High-P limit rate is Garborg's 100 atm rate -CH3CHO + OH = CH3CHO + OH 5.8E14 -1.012 1068 0.0 0.0 0.0 - PLOG / 1 3.5E12 -0.947 979 / - PLOG / 10 3.5E13 -0.947 980 / - PLOG / 100 5.8E14 -1.012 1068 / - -// est = CH3OOH = CH3O + OH,high P limit) -// High-P limit rate is Garborg's high-PL rate -CH2CHOOH = CH2CHO + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - PLOG / 1 2.0E35 -6.700 47450 / - PLOG / 10 1.1E28 -4.150 46190 / - PLOG / 50 2.8E26 -3.500 46340 / diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C3/reactions.full b/output/RMG_database/kinetics_libraries/Glarborg/C3/reactions.full deleted file mode 100644 index 4f1a31fc31..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C3/reactions.full +++ /dev/null @@ -1,1046 +0,0 @@ -// CFG - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - - - -// Glarborg, -// -// ***************************************************************************** -// H2/O2 subset * -// ***************************************************************************** -// - - H + O2 = O + OH 3.6E15 -0.410 16600 0.0 0.0 0.0 - - - H + H + H2 = H2 + H2 1.0E17 -0.600 0 0.0 0.0 0.0 - H + H + H2O = H2 + H2O 1.0E19 -1.000 0 0.0 0.0 0.0 - - O + H2 = OH + H 3.8E12 0.000 7948 0.0 0.0 0.0 - // DUPLICATE - O + H2 = OH + H 8.8E14 0.000 19175 0.0 0.0 0.0 - // DUPLICATE - - OH + OH = O + H2O 4.3E03 2.700 -1822 0.0 0.0 0.0 - - - OH + H2 = H + H2O 2.1E08 1.520 3449 0.0 0.0 0.0 - H2 + O2 = HO2 + H 7.4E05 2.433 53502 0.0 0.0 0.0 - HO2 + H = OH + OH 8.4E13 0.000 400 0.0 0.0 0.0 - HO2 + H = H2O + O 1.4E12 0.000 0 0.0 0.0 0.0 - HO2 + O = OH + O2 1.6E13 0.000 -445 0.0 0.0 0.0 - - HO2 + OH = H2O + O2 3.6E21 -2.100 9000 0.0 0.0 0.0 - // DUPLICATE - HO2 + OH = H2O + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - // DUPLICATE -// HO2 + OH = H2O + O2 -2.2E96 -24.000 49000 0.0 0.0 0.0 - // DUPLICATE - - HO2 + HO2 = H2O2 + O2 1.9E11 0.000 -1408 0.0 0.0 0.0 - // DUPLICATE - HO2 + HO2 = H2O2 + O2 1.0E14 0.000 11034 0.0 0.0 0.0 - // DUPLICATE - - H2O2 + H = H2O + OH 1.0E13 0.000 3580 0.0 0.0 0.0 - H2O2 + H = HO2 + H2 1.7E12 0.000 3760 0.0 0.0 0.0 - H2O2 + O = HO2 + OH 9.6E06 2.000 3970 0.0 0.0 0.0 - - H2O2 + OH = H2O + HO2 1.9E12 0.000 427 0.0 0.0 0.0 - // DUPLICATE - H2O2 + OH = H2O + HO2 1.6E18 0.000 29410 0.0 0.0 0.0 - // DUPLICATE - -// -// ***************************************************************************** -// CO/CO2 subset * -// ***************************************************************************** -// - - - CO + O2 = CO2 + O 4.7E12 0.000 60500 0.0 0.0 0.0 - CO + HO2 = CO2 + OH 1.6E05 2.180 17943 0.0 0.0 0.0 - -// (0.001-2000 bar, 300 CH2O + OH 2.4E12 -0.925 1567 0.0 0.0 0.0 -// 10 atm -//CH2OOH => CH2O + OH 2.5E13 -0.927 1579 0.0 0.0 0.0 -// 100 atm -//CH2OOH => CH2O + OH 7.0E14 -1.064 1744 0.0 0.0 0.0 -// However, if it did exist, it would look something like this in PLOG form: -// // High-P limit rate is Garborg's 100 atm rate -// CH2OOH => CH2O + OH 7.0E14 -1.064 1744 0.0 0.0 0.0 -// PLOG / 1 2.4E12 -0.925 1567 / -// PLOG / 10 2.5E13 -0.927 1579 / -// PLOG / 100 7.0E14 -1.064 1744 / - - -// -// ***************************************************************************** -// C2 subset * -// ***************************************************************************** -// - - C2H6 + H = C2H5 + H2 9.8E13 0.000 9220 0.0 0.0 0.0 - C2H6 + O = C2H5 + OH 1.1E-07 6.500 274 0.0 0.0 0.0 - C2H6 + OH = C2H5 + H2O 9.2E06 2.000 990 0.0 0.0 0.0 - C2H6 + HO2 = C2H5 + H2O2 1.1E05 2.500 16850 0.0 0.0 0.0 - C2H6 + O2 = C2H5 + HO2 7.3E05 2.500 49160 0.0 0.0 0.0 - - C2H6 + CH3 = C2H5 + CH4 5.6E10 0.000 9418 0.0 0.0 0.0 - // DUPLICATE - C2H6 + CH3 = C2H5 + CH4 8.4E14 0.000 22250 0.0 0.0 0.0 - // DUPLICATE - - C2H6 + CH2(S) = C2H5 + CH3 1.2E14 0.000 0 0.0 0.0 0.0 - - C2H5 + O = CH3 + CH2O 4.2E13 0.000 0 0.0 0.0 0.0 - C2H5 + O = CH3CHO + H 5.3E13 0.000 0 0.0 0.0 0.0 - C2H5 + O = C2H4 + OH 3.1E13 0.000 0 0.0 0.0 0.0 - C2H5 + OH = C2H4 + H2O 2.4E13 0.000 0 0.0 0.0 0.0 - C2H5 + HO2 = CH3CH2O + OH 3.1E13 0.000 0 0.0 0.0 0.0 - - C2H5 + O2 = C2H4 + HO2 1.4E07 1.090 -1975 0.0 0.0 0.0 - - C2H5 + CH2O = C2H6 + HCO 5.5E03 2.810 5860 0.0 0.0 0.0 - C2H5 + HCO = C2H6 + CO 4.3E13 0.000 0 0.0 0.0 0.0 -//C2H5 + HCO = C2H6 + CO 1.2E14 0.000 0 0.0 0.0 0.0 - C2H5 + CH3 = C2H4 + CH4 9.0E11 0.000 0 0.0 0.0 0.0 - C2H5 + C2H5 = C2H6 + C2H4 1.5E12 0.000 0 0.0 0.0 0.0 - - C2H4 + H = C2H3 + H2 2.4E02 3.620 11266 0.0 0.0 0.0 -// CH4 + CH = C2H4 + H 3.0E13 0.000 -400 0.0 0.0 0.0 - CH3 + CH2 = C2H4 + H 4.2E13 0.000 0 0.0 0.0 0.0 - CH3 + CH2(S) = C2H4 + H 2.0E13 0.000 0 0.0 0.0 0.0 - - C2H4 + O = CH3 + HCO 3.9E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - C2H4 + O = CH3 + HCO 6.2E13 0.000 6855 0.0 0.0 0.0 - // DUPLICATE - - C2H4 + O = CH2CHO + H 1.7E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - C2H4 + O = CH2CHO + H 2.8E13 0.000 6855 0.0 0.0 0.0 - // DUPLICATE - -// RMG doesn't like this rate; I replaced it with NIST -// C2H4 + OH = C2H3 + H2O 1.3E-1 4.200 -860 0.0 0.0 0.0 -C2H4 + OH = C2H3 + H2O 5.4E07 1.8 4166 0.0 0.0 0.0 - -// JIM/GLA08 fit to SEN/MIL06 60 atm,600-900K -// C2H4+OH=CH3+CH2O 3.3E11 0.000 9079 -// High-P limit rate is Garborg's 100 atm rate -C2H4 + OH = CH3 + CH2O 2.8E13 -0.500 11455 0.0 0.0 0.0 - PLOG / 1 1.8E06 1.680 2061 / - PLOG / 10 2.4E09 0.560 6007 / - PLOG / 100 2.8E13 -0.500 11455 / - -// JIM/GLA08 fit to SEN/MIL06 60 atm,600-900K -// C2H4+OH=CH3CHO+H 1.4E33 -6.114 24907 -// High-P limit rate is Garborg's 100 atm rate -C2H4 + OH = CH3CHO + H 6.8E09 0.810 13867 0.0 0.0 0.0 - PLOG / 1 2.4E-2 3.910 1723 / - PLOG / 10 8.2E08 1.010 10507 / - PLOG / 100 6.8E09 0.810 13867 / - -// JIM/GLA08 fit to SEN/MIL06 60 atm,600-900K -// C2H4+OH=CH2CHOH+H 1.7E13 0.000 11527 -// High-P limit rate is Garborg's 100 atm rate -C2H4 + OH = CH2CHOH + H 8.5E10 0.750 11491 0.0 0.0 0.0 - PLOG / 1 3.2E05 2.190 5256 / - PLOG / 10 1.9E08 1.430 7829 / - PLOG / 100 8.5E10 0.750 11491 / - -// Alternative fit to 60 atm,600-900K with no duplicate -// C2H4 + OH = CH2CH2OH 2.4E20 -2.399 3294 - -// High-P limit rate is Garborg's 100 atm rate -C2H4 + OH = CH2CH2OH 6.0E37 -7.440 14269 0.0 0.0 0.0 - PLOG / 1 6.0E37 -8.140 8043 / - PLOG / 10 6.0E37 -7.770 10736 / - PLOG / 100 6.0E37 -7.440 14269 / -// DUPLICATE - -// High-P limit rate is Garborg's 100 atm rate -C2H4 + OH = CH2CH2OH 2.8E19 -2.410 1011 0.0 0.0 0.0 - PLOG / 1 7.3E23 -6.910 2855 / - PLOG / 10 3.0E26 -4.870 2297 / - PLOG / 100 2.8E19 -2.410 1011 / -// DUPLICATE - - C2H4 + HO2 = cC2H4O + OH 2.2E12 0.000 17200 0.0 0.0 0.0 - C2H4 + O2 = C2H3 + HO2 7.1E13 0.000 60010 0.0 0.0 0.0 - C2H4 + CH3 = C2H3 + CH4 6.0E07 1.560 16630 0.0 0.0 0.0 - - C2H3 + H = C2H2 + H2 4.5E13 0.000 0 0.0 0.0 0.0 -// CH3 + CH = C2H3 + H 3.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + O = CH2CO + H 3.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + OH = C2H2 + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - - C2H3 + HO2 = CH2CHO + OH 3.0E13 0.000 0 0.0 0.0 0.0 -// PM 60 bar -// RMG dislikes; cfg replaced w mclin -// C2H3 + O2 = CH2CHOO 1.1E12 0.000 -1680 0.0 0.0 0.0 -// C.F.Goldsmith replaced the above rate expression from Glarborg with the following rate expression from -// A. M. Mebel, E. W. G. Diau, M. C. Lin, and K. Morokuma J. Am. Chem. Soc. 1996, 118, 9759-9771 http://dx.doi.org/10.1021/ja961476e - C2H3 + O2 = CH2CHOO 3.0E36 -8.0 5680 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2O + HCO 6.3E12 0.000 3130 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2CHO + O 4.8E12 0.000 4800 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = C2H2 + HO2 7.6E11 0.000 7930 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH3O + CO 2.8E11 0.000 3130 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH3 + CO2 1.3E10 0.000 3130 0.0 0.0 0.0 - - - C2H3 + CH2O = C2H4 + HCO 5.4E03 2.810 5860 0.0 0.0 0.0 - C2H3 + HCO = C2H4 + CO 9.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + CH3 = C2H2 + CH4 2.1E13 0.000 0 0.0 0.0 0.0 -// C2H3 + CH = CH2 + C2H2 5.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + C2H3 = C2H4 + C2H2 1.5E13 0.000 0 0.0 0.0 0.0 - C2H3 + C2H = C2H2 + C2H2 3.0E13 0.000 0 0.0 0.0 0.0 - -// CH3 + C = C2H2 + H 5.0E13 0.000 0 0.0 0.0 0.0 -// CH2 + CH = C2H2 + H 4.0E13 0.000 0 0.0 0.0 0.0 - CH2 + CH2 = C2H2 + H + H 3.2E13 0.000 0 0.0 0.0 0.0 -//CH2 + CH2 = C2H2 + H + H 4.0E13 0.000 0 0.0 0.0 0.0 - - C2H2 + O = HCCO + H 1.4E07 2.000 1900 0.0 0.0 0.0 - C2H2 + O = CH2 + CO 6.1E06 2.000 1900 0.0 0.0 0.0 - C2H2 + O = C2H + OH 3.2E15 -0.600 15000 0.0 0.0 0.0 - - -// High-P limit rate is Garborg's 100 atm rate -C2H2 + OH = CH3 + CO 8.3E05 1.770 4697 0.0 0.0 0.0 - PLOG / 1 1.3E09 0.730 2579 / - PLOG / 10 4.3E08 0.920 3736 / - PLOG / 100 8.3E05 1.770 4697 / - - -// High-P limit rate is Garborg's 100 atm rate -C2H2 + OH = HCCOH + H 7.3E06 1.890 13603 0.0 0.0 0.0 - PLOG / 1 2.4E06 2.000 12713 / - PLOG / 10 3.2E06 1.970 12810 / - PLOG / 100 7.3E06 1.890 13603 / - -// High-P limit rate is Garborg's >>100 atm rate -C2H2 + OH = CHCHOH 1.1E08 1.340 332 0.0 0.0 0.0 - PLOG / 1 1.9E44 -11.380 6299 / - PLOG / 10 1.5E24 -4.060 3261 / - PLOG / 100 6.2E20 -2.800 2831 / - PLOG / 1000 1.1E08 1.340 332 / // ">>100 atm" -// DUPLICATE - -// High-P limit rate is Garborg's >>100 atm rate -C2H2 + OH = CHCHOH 6.0E07 1.620 240 0.0 0.0 0.0 - PLOG / 1 3.5E31 -6.200 6635 / - PLOG / 10 4.5E31 -5.920 8761 / - PLOG / 100 1.6E29 -4.910 9734 / - PLOG / 1000 6.0E07 1.620 240 / // ">>100 atm" -// DUPLICATE - -// High-P limit rate is Garborg's 100 atm rate -C2H2 + OH = CH2CO + H 1.5E04 2.450 4477 0.0 0.0 0.0 - PLOG / 1 7.5E06 1.550 2106 / - PLOG / 10 5.1E06 1.650 3400 / - PLOG / 100 1.5E04 2.450 4477 / - - C2H2 + HO2 = CH2O + HCO 3.0E12 0.000 10000 0.0 0.0 0.0 - C2H2 + HO2 = CH2CHO + O 3.0E12 0.000 10000 0.0 0.0 0.0 - C2H2 + O2 = HCO + HCO 7.0E07 1.800 30600 0.0 0.0 0.0 - C2H2 + CH2(S) = C2H2 + CH2 4.0E13 0.000 0 0.0 0.0 0.0 - - H2CC = C2H2 1.0E07 0.000 0 0.0 0.0 0.0 - H2CC + H = C2H2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - H2CC + OH = CH2CO + H 2.0E13 0.000 0 0.0 0.0 0.0 - H2CC + O2 = CH2 + CO2 1.0E13 0.000 0 0.0 0.0 0.0 - - C2 + H2 = C2H + H 4.0E05 2.40 1000 0.0 0.0 0.0 -// CH2 + C = C2H + H 5.0E13 0.000 0 0.0 0.0 0.0 -// C2H + O = CH + CO 5.0E13 0.000 0 0.0 0.0 0.0 - C2H + OH = HCCO + H 2.0E13 0.000 0 0.0 0.0 0.0 - C2H + OH = C2 + H2O 4.0E07 2.000 8000 0.0 0.0 0.0 - C2H + H2 = C2H2 + H 4.1E05 2.390 864 0.0 0.0 0.0 - C2H + O2 = CO + CO + H 4.7E13 -0.16 0 0.0 0.0 0.0 - C2H + CH4 = CH3 + C2H2 7.2E12 0.000 976 0.0 0.0 0.0 - - -// C2 + O = C + CO 1.0E14 0.000 0 0.0 0.0 0.0 - C2 + OH = C2O + H 5.0E13 0.000 0 0.0 0.0 0.0 - C2 + O2 = CO + CO 9.0E12 0.000 980 0.0 0.0 0.0 - - - CH3CH2OH + H = CH3CHOH + H2 2.6E07 1.650 2827 0.0 0.0 0.0 - CH3CH2OH + H = CH2CH2OH + H2 1.2E07 1.800 5098 0.0 0.0 0.0 - CH3CH2OH + H = CH3CH2O + H2 1.5E07 1.650 3038 0.0 0.0 0.0 - CH3CH2OH + O = CH3CHOH + OH 1.9E07 1.850 1824 0.0 0.0 0.0 - CH3CH2OH + O = CH2CH2OH + OH 9.4E07 1.700 5459 0.0 0.0 0.0 - CH3CH2OH + O = CH3CH2O + OH 1.6E07 2.000 4448 0.0 0.0 0.0 - CH3CH2OH + OH = CH3CHOH + H2O 4.6E11 0.150 0 0.0 0.0 0.0 - CH3CH2OH + OH = CH2CH2OH + H2O 1.7E11 0.270 600 0.0 0.0 0.0 - CH3CH2OH + OH = CH3CH2O + H2O 7.5E11 0.300 1634 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH3CHOH + H2O2 8.2E03 2.550 10750 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH2CH2OH + H2O2 1.2E04 2.550 15750 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH3CH2O + H2O2 2.5E12 0.000 24000 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH3CHOH + CH4 7.3E02 2.990 7948 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH2CH2OH + CH4 2.2E02 3.180 9622 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH3CH2O + CH4 1.5E02 2.990 7649 0.0 0.0 0.0 - - CH3CHOH + O = CH3CHO + OH 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHOH + H = CH2OH + CH3 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CHOH + H = C2H4 + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CHOH + OH = CH3CHO + H2O 5.0E12 0.000 0 0.0 0.0 0.0 - CH3CHOH + HO2 = CH3CHO + OH + OH 4.0E13 0.000 0 0.0 0.0 0.0 - - CH3CHOH + O2 = CH3CHO + HO2 8.4E15 -1.200 0 0.0 0.0 0.0 - // DUPLICATE - CH3CHOH + O2 = CH3CHO + HO2 4.8E14 0.000 5017 0.0 0.0 0.0 - // DUPLICATE - - CH2CH2OH = CH2CHOH + H 2.2E05 2.840 32920 0.0 0.0 0.0 - CH3CH2O = CH2CH2OH 2.8E-29 11.900 4450 0.0 0.0 0.0 - CH2CH2OH + H = CH3 + CH2OH 1.0E14 0.000 0 0.0 0.0 0.0 - - CH2CH2OH + O = CH2O + CH2OH 4.0E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + O = HOCH2CHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + OH = CH2CHOH + H2O 2.4E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + OH = HOCH2CHOH 3.3E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + HO2 = CH3CH2OH + O2 1.0E12 0.000 0 0.0 0.0 0.0 - CH2CH2OH + HO2 => CH2OH + CH2O + OH 3.0E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + HO2 = HOCH2CH2O + OH 3.0E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + O2 = CH2CHOH + HO2 1.4E07 1.090 -1975 0.0 0.0 0.0 - - CH3CH2O = CH3CHO + H 1.3E13 0.000 20060 0.0 0.0 0.0 - CH3CH2O + H = CH3CHO + H2 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CH2O + OH = CH3CHO + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CH2O + O2 = CH3CHO + HO2 1.5E10 0.000 645 0.0 0.0 0.0 - CH3CH2O + CO = C2H5 + CO2 9.5E25 -4.930 9080 0.0 0.0 0.0 - - - CH3CHO + H = CH3CO + H2 4.7E13 -0.350 3000 0.0 0.0 0.0 - CH3CHO + H = CH2CHO + H2 1.9E12 0.400 5359 0.0 0.0 0.0 - CH3CHO + O = CH3CO + OH 1.8E18 -1.900 2975 0.0 0.0 0.0 - CH3CHO + O = CH2CHO + OH 3.7E13 -0.200 3556 0.0 0.0 0.0 - CH3CHO + OH = CH3CO + H2O 2.4E11 0.300 -1000 0.0 0.0 0.0 - CH3CHO + OH = CH2CHO + H2O 3.0E13 -0.600 800 0.0 0.0 0.0 - CH3CHO + HO2 = CH3CO + H2O2 2.4E19 -2.200 14030 0.0 0.0 0.0 - CH3CHO + HO2 = CH2CHO + H2O2 2.3E11 0.400 14864 0.0 0.0 0.0 - CH3CHO + O2 = CH3CO + HO2 1.2E05 2.500 37554 0.0 0.0 0.0 - CH3CHO + CH3 = CH3CO + CH4 3.9E-07 5.800 2200 0.0 0.0 0.0 - CH3CHO + CH3 = CH2CHO + CH4 2.5E01 3.150 5727 0.0 0.0 0.0 - - cC2H4O = CH2CHO + H 1.8E13 0.200 71780 0.0 0.0 0.0 - cC2H4O = CH3 + HCO 5.6E13 0.400 61880 0.0 0.0 0.0 - cC2H4O = CH3CO + H 2.4E13 0.250 65310 0.0 0.0 0.0 - cC2H4O = CH2CO + H2 3.6E12 -0.200 63030 0.0 0.0 0.0 - cC2H4O = CH3CHO 3.2E12 -0.750 46424 0.0 0.0 0.0 - cC2H4O = C2H2 + H2O 7.6E12 0.060 69530 0.0 0.0 0.0 -//cC2H4O + H = CH3CHO + H 5.6E13 0.000 10950 0.0 0.0 0.0 - cC2H4O + H = cC2H3O + H2 2.0E13 0.000 8310 0.0 0.0 0.0 - cC2H4O + H = C2H3 + H2O 5.0E09 0.000 5000 0.0 0.0 0.0 - cC2H4O + H = C2H4 + OH 9.5E10 0.000 5000 0.0 0.0 0.0 - cC2H4O + O = cC2H3O + OH 1.9E12 0.000 5250 0.0 0.0 0.0 - cC2H4O + OH = cC2H3O + H2O 1.8E13 0.000 3610 0.0 0.0 0.0 - cC2H4O + HO2 = cC2H3O + H2O2 4.0E12 0.000 17000 0.0 0.0 0.0 - cC2H4O + O2 = cC2H3O + HO2 4.0E13 0.000 61500 0.0 0.0 0.0 - cC2H4O + CH3 = cC2H3O + CH4 1.1E12 0.000 11830 0.0 0.0 0.0 - - CH2CHOH + H = CHCHOH + H2 2.4E02 3.630 11266 0.0 0.0 0.0 - CH2CHOH + H = CH2CHO + H2 1.5E07 1.700 3000 0.0 0.0 0.0 - - CH2CHOH + O = CH2OH + HCO 3.9E12 0.000 1494 0.0 0.0 0.0 - // DUPLICATE - CH2CHOH + O = CH2OH + HCO 6.2E13 0.000 6855 0.0 0.0 0.0 - // DUPLICATE - - CH2CHOH + O = CH2CHO + OH 1.6E07 2.000 4400 0.0 0.0 0.0 - CH2CHOH + OH = CHCHOH + H2O 1.3E-1 4.200 -860 0.0 0.0 0.0 - CH2CHOH + OH = CH2CHO + H2O 7.5E11 0.300 1600 0.0 0.0 0.0 - CH2CHOH + O2 => CH2O + HCO + OH 3.5E07 1.800 39000 0.0 0.0 0.0 - -// High-P limit rate is Garborg's 100 atm rate -CHCHOH = HCCOH + H 5.5E29 -5.057 52377 0.0 0.0 0.0 - PLOG / 1 1.1E31 -6.153 51383 / - PLOG / 10 1.5E32 -6.168 52239 / - PLOG / 100 5.5E29 -5.057 52377 / - - CHCHOH + H = CH2CHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CHCHOH + O = OCHCHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CHCHOH + O2 = HCCOH + HO2 1.4E02 3.400 3700 0.0 0.0 0.0 -//#CHCHOH + O2 = OCHCHO + OH 2.5E12 0.000 0 0.0 0.0 0.0 - - cC2H3O = CH2CHO 8.7E31 -6.900 14994 0.0 0.0 0.0 - cC2H3O = CH2CO + H 5.0E13 0.000 14863 0.0 0.0 0.0 - cC2H3O = CH3 + CO 7.1E12 0.000 14280 0.0 0.0 0.0 - - -// High-P limit rate is Garborg's high-PL rate -CH2CHO = CH2CO + H 1.4E15 -0.150 45606 0.0 0.0 0.0 - PLOG / 0.01 2.4E25 -4.800 43424 / - PLOG / 0.1 2.4E30 -5.860 46114 / - PLOG / 1 1.3E34 -6.570 49454 / - PLOG / 10 3.5E36 -6.920 52979 / - PLOG / 100 1.2E36 -6.480 55171 / - -// High-P limit rate is Garborg's high-PL rate -CH2CHO = CH3 + CO 2.9E12 0.290 40326 0.0 0.0 0.0 - PLOG / 0.01 1.2E30 -6.070 41332 / - PLOG / 0.1 6.4E32 -6.570 44282 / - PLOG / 1 6.5E34 -6.870 47191 / - PLOG / 10 2.2E35 -6.760 49548 / - PLOG / 100 2.2E33 -5.970 50448 / - - - CH2CHO + H = CH3 + HCO 1.0E14 0.000 0 0.0 0.0 0.0 - CH2CHO + H = CH3CO + H 3.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + H = CH2CO + H2 2.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + O = CH2CO + OH 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + OH = CH2CO + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + OH = CH2OH + HCO 1.0E13 0.000 0 0.0 0.0 0.0 - -// High-P limit rate is Garborg's 100 atm rate -//CH2CHO + O2 = CH2O + CO + OH 1.5E-10 6.690 4868 0.0 0.0 0.0 - PLOG / 1 5.7E17 -1.757 11067 / - PLOG / 10 1.1E14 -0.610 11422 / - PLOG / 100 1.5E-10 6.690 4868 / - - -//#CH2CHO + O2 = OCHCHO + OH 2.2E11 0.000 1500 0.0 0.0 0.0 - CH2CHO + CH3 = C2H5 + CO + H 4.9E14 -0.500 0 0.0 0.0 0.0 - CH2CHO + HO2 = CH2O + HCO + OH 7.0E12 -0.500 0 0.0 0.0 0.0 - CH2CHO + HO2 = CH3CHO + O2 3.0E12 -0.500 0 0.0 0.0 0.0 - CH2CHO + CH2 = C2H4 + HCO 5.0E13 0.000 0 0.0 0.0 0.0 -// CH2CHO + CH = C2H3 + HCO 1.0E14 0.000 0 0.0 0.0 0.0 - - -// High-P limit rate is Garborg's high-PL rate -CH3CO = CH3 + CO 1.1E12 0.630 16895 0.0 0.0 0.0 - PLOG / 0.01 6.9E14 -1.970 14584 / - PLOG / 0.1 2.0E16 -2.090 15197 / - PLOG / 1 6.5E18 -2.520 16436 / - PLOG / 10 8.2E19 -2.550 17263 / - PLOG / 100 1.3E20 -2.320 18012 / - - - CH2CO + H = CH3CO 2.3E08 1.610 2627 0.0 0.0 0.0 - CH3CO + H = CH3 + HCO 2.1E13 0.000 0 0.0 0.0 0.0 - CH3CO + H = CH2CO + H2 1.2E13 0.000 0 0.0 0.0 0.0 - CH3CO + O = CH3 + CO2 1.6E14 0.000 0 0.0 0.0 0.0 - CH3CO + O = CH2CO + OH 5.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + OH = CH2CO + H2O 1.2E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3OO = CH3 + CO2 + CH3O 2.4E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3 = C2H6 + CO 3.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3 = CH2CO + CH4 5.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + O2 = CH2O + CO + OH 1.9E12 0.000 0 0.0 0.0 0.0 - - CH2CO + H = CH3 + CO 3.3E10 0.851 2840 0.0 0.0 0.0 - CH2CO + H = HCCO + H2 3.0E07 2.000 10000 0.0 0.0 0.0 -// CH + CH2O = CH2CO + H 9.5E13 0.000 -517 0.0 0.0 0.0 - CH2CO + O = CO2 + CH2 1.8E12 0.000 1350 0.0 0.0 0.0 - CH2CO + O = HCCO + OH 2.0E07 2.000 10000 0.0 0.0 0.0 - CH2CO + OH = CH2OH + CO 1.0E12 0.000 -1013 0.0 0.0 0.0 - CH2CO + OH = CH3 + CO2 6.7E11 0.000 -1013 0.0 0.0 0.0 - CH2CO + OH = HCCO + H2O 1.0E07 2.000 3000 0.0 0.0 0.0 - CH2CO + CH2(S) = C2H4 + CO 1.6E14 0.000 0 0.0 0.0 0.0 - - HCCOH + H = HCCO + H2 3.0E07 2.000 1000 0.0 0.0 0.0 - HCCOH + O = HCCO + OH 2.0E07 2.000 1900 0.0 0.0 0.0 - HCCOH + OH = HCCO + H2O 1.0E07 2.000 1000 0.0 0.0 0.0 - - - HCCO + H = CH2(S) + CO 1.5E14 0.000 0 0.0 0.0 0.0 - HCCO + O = CO + CO + H 1.0E14 0.000 0 0.0 0.0 0.0 - HCCO + OH = HCO + HCO 1.0E13 0.000 0 0.0 0.0 0.0 - HCCO + OH = C2O + H2O 6.0E13 0.000 0 0.0 0.0 0.0 - HCCO + O2 = CO2 + CO + H 4.9E12 -0.142 1150 0.0 0.0 0.0 - HCCO + O2 = CO + CO + OH 1.6E11 -0.020 1020 0.0 0.0 0.0 - HCCO + O2 = HCO + CO + O 2.2E02 2.690 3540 0.0 0.0 0.0 - HCCO + CH2 = C2H3 + CO 3.0E13 0.000 0 0.0 0.0 0.0 -// HCCO + CH = C2H2 + CO 5.0E13 0.000 0 0.0 0.0 0.0 - HCCO + HCCO = C2H2 + CO + CO 1.0E13 0.000 0 0.0 0.0 0.0 - - - -// C2O + H = CH + CO 1.3E13 0.000 0 0.0 0.0 0.0 - C2O + O = CO + CO 5.2E13 0.000 0 0.0 0.0 0.0 - C2O + OH = CO + CO + H 2.0E13 0.000 0 0.0 0.0 0.0 - C2O + O2 = CO + CO + O 1.0E13 0.000 2600 0.0 0.0 0.0 - C2O + O2 = CO + CO2 1.0E13 0.000 2600 0.0 0.0 0.0 - -// C2O + C = CO + C2 1.0E14 0.000 0 0.0 0.0 0.0 - - -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b],high P limit) -// High-P limit rate is Garborg's high-PL rate -CH3CH2OOH = CH3CH2O + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - PLOG / 1 2.0E35 -6.700 47450 / - PLOG / 10 1.1E28 -4.150 46190 / - PLOG / 50 2.8E26 -3.500 46340 / - -//CH3CH2OOH = CH3CH2O + OH - - CH3CH2OOH + H = CH3CHO + OH + H2 6.5E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + H = CH3CH2OO + H2 4.3E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + H = CH3CH2O + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + O = CH3CHO + OH + OH 1.6E13 0.000 4750 0.0 0.0 0.0 - CH3CH2OOH + O = CH3CH2OO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH3CH2OOH + OH = CH3CHO + OH + H2O 7.2E11 0.000 -258 0.0 0.0 0.0 - CH3CH2OOH + OH = CH3CH2OO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH3CH2OOH + HO2 = CH3CH2OO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - - - CH3CH2OO + H = CH3CH2O + OH 9.6E13 0.000 0 0.0 0.0 0.0 - CH3CH2OO + O = CH3CH2O + O2 1.6E13 0.000 -145 0.0 0.0 0.0 - CH3CH2OO + OH = CH3CH2OH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH3CH2OO + OH = CH3CH2O + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH3CH2OO + HO2 = CH3CH2OOH + O2 4.5E11 0.000 -1391 0.0 0.0 0.0 - CH3CH2OO + CO = CH3CH2O + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH3CH2OO + CH3 = CH3CH2O + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3CH2OO + CH4 = CH3CH2OOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH3CH2OO + CH3OH = CH3CH2OOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH3CH2OO + CH2O = CH3CH2OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH3CH2OO + C2H5 = CH3CH2O + CH3CH2O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3CH2OO + C2H6 = CH3CH2OOH + C2H5 8.6E00 3.760 17200 0.0 0.0 0.0 - CH3CH2OO + CH3CHO = CH3CH2OOH + CH3CO 2.4E19 -2.200 14030 0.0 0.0 0.0 - CH3CH2OO + CH3CHO = CH3CH2OOH + CH2CHO 2.3E11 0.400 14864 0.0 0.0 0.0 - CH3CH2OO + CH3CH2OO = CH3CH2O + CH3CH2O + O2 2.9E11 -0.270 408 0.0 0.0 0.0 - CH3CH2OO + CH3CH2OO = CH3CHO + CH3CH2OH + O2 4.3E09 0.000 -850 0.0 0.0 0.0 - -// High-P limit rate is Garborg's 100 atm rate -//CH3CHO + OH = CH3CHO + OH 5.8E14 -1.012 1068 0.0 0.0 0.0 - PLOG / 1 3.5E12 -0.947 979 / - PLOG / 10 3.5E13 -0.947 980 / - PLOG / 100 5.8E14 -1.012 1068 / - - CH2CH2OOH = cC2H4O + OH 1.3E10 0.720 15380 0.0 0.0 0.0 - CH2CH2OOH = CH3CH2OO 1.2E07 1.040 17980 0.0 0.0 0.0 - CH2CH2OOH = C2H4 + HO2 1.3E11 0.520 16150 0.0 0.0 0.0 - -// est = CH3OOH = CH3O + OH,high P limit) -// High-P limit rate is Garborg's high-PL rate -//CH2CHOOH = CH2CHO + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - PLOG / 1 2.0E35 -6.700 47450 / - PLOG / 10 1.1E28 -4.150 46190 / - PLOG / 50 2.8E26 -3.500 46340 / - - - CH2CHOOH + H = CH2CHOO + H2 4.3E10 0.000 1860 0.0 0.0 0.0 - CH2CHOOH + H = CH2CHO + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH2CHOOH + O = CH2CHOO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH2CHOOH + OH = CH2CHOO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH2CHOOH + HO2 = CH2CHOO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - -// 100 atm - CH2CHOO = C2H2 + HO2 9.6E48 -8.868 110591 0.0 0.0 0.0 -// 100 atm - CH2CHOO = CH2O + HCO 3.1E47 -8.701 111046 0.0 0.0 0.0 -// 60atm, 6-900K fit -// CH2CHOO = CYCOOC. 3.9E09 0.000 22250 0.0 0.0 0.0 -// 100 atm -//CH2CHOO = CYCOOC. 1.1E19 -2.782 26427 0.0 0.0 0.0 - - CH2CHOO + H = CH2CHO + OH 9.6E13 0.000 0 0.0 0.0 0.0 - CH2CHOO + O = CH2CHO + O2 1.6E13 0.000 -145 0.0 0.0 0.0 - CH2CHOO + OH = CH2CHOH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH2CHOO + OH = CH2CHO + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH2CHOO + HO2 = CH2CHOOH + O2 4.5E11 0.000 -1391 0.0 0.0 0.0 - CH2CHOO + CO = CH2CHO + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH2CHOO + CH3 = CH2CHO + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH2CHOO + CH4 = CH2CHOOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH2CHOO + CH3OH = CH2CHOOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH2CHOO + CH2O = CH2CHOOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH2CHOO + C2H6 = CH2CHOOH + C2H5 8.6E00 3.760 17200 0.0 0.0 0.0 - -// 60atm, 6-900K fit -// CYCOOC. = CH2O + HCO 6.1E10 0.000 914 0.0 0.0 0.0 -// meohcys4e (100 atm) -// CYCOOC. = OCHCHO + H 1.6E13 -1.093 3159 0.0 0.0 0.0 - - - OCHCHO + H = CH2O + HCO 3.0E13 0.000 0 0.0 0.0 0.0 - OCHCHO + OH = HCO + CO + H2O 6.6E12 0.000 0 0.0 0.0 0.0 - -// HOCH2CH2OO = CH2O + CH2O + OH 9.4E08 0.994 22250 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 = HOCH2CH2OOH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 => HOCH2CH2O + OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 => CH2O + CH2OH + OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -// HOCH2CH2OO + HO2 => CH2O + OH + CH2OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + CH2O => HOCH2CH2OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -//HOCH2CH2OO + CH2O => CH2O + CH2OH + OH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -// HOCH2CH2OO + CH2O => CH2O + OH + CH2OH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -//HOCH2CH2OO + C2H4 => HOCH2CH2O + CH3CHO 2.2E12 0.000 17200 0.0 0.0 0.0 -// HOCH2CH2OO + C2H4 => CH2O + CH2OH + CH3CHO 2.2E12 0.000 17200 0.0 0.0 0.0 - - -// -// ***************************************************************************** -// C3 subset * -// ***************************************************************************** -// - - C2H5 + HCO = C2H5CHO 1.8E13 0.000 0 0.0 0.0 0.0 - C2H5 + CO = C2H5CO 1.5E11 0.000 4800 0.0 0.0 0.0 - - CH2CHO + CH3 = C2H5CHO 5.0E13 0.000 0 0.0 0.0 0.0 - - C2H5CHO + H = C2H5CO + H2 8.0E13 0.000 0 0.0 0.0 0.0 - C2H5CHO + O = C2H5CO + OH 7.8E12 0.000 1730 0.0 0.0 0.0 - C2H5CHO + OH = C2H5CO + H2O 1.2E13 0.000 0 0.0 0.0 0.0 - - - - - C3H6 = C2H2 + CH4 3.5E12 0.000 70000 0.0 0.0 0.0 - C3H6 = H2CCCH2 + H2 4.0E13 0.000 80000 0.0 0.0 0.0 - - C3H6 + H = C2H4 + CH3 7.2E12 0.000 1302 0.0 0.0 0.0 - C3H6 + H = CH2CHCH2 + H2 1.7E05 2.500 2492 0.0 0.0 0.0 - C3H6 + H = CH3CCH2 + H2 4.1E05 2.500 9794 0.0 0.0 0.0 - C3H6 + H = CH3CHCH + H2 8.0E05 2.500 12284 0.0 0.0 0.0 - C3H6 + O = C2H5 + HCO 1.6E07 1.760 -1220 0.0 0.0 0.0 - C3H6 + O = CH2CHCH2 + OH 5.2E11 0.700 5884 0.0 0.0 0.0 - C3H6 + O = CH3CHCH + OH 1.2E11 0.700 8959 0.0 0.0 0.0 - C3H6 + O = CH3CCH2 + OH 6.0E10 0.700 7632 0.0 0.0 0.0 - C3H6 + O = CH3CHCO + H + H 5.0E07 1.760 76 0.0 0.0 0.0 - C3H6 + OH = CH2CHCH2 + H2O 3.1E06 2.000 -298 0.0 0.0 0.0 - C3H6 + OH = CH3CCH2 + H2O 1.1E06 2.000 1451 0.0 0.0 0.0 - C3H6 + OH = CH3CHCH + H2O 2.1E06 2.000 2778 0.0 0.0 0.0 - C3H6 + HO2 = CH2CHCH2 + H2O2 9.6E03 2.600 13910 0.0 0.0 0.0 - - C3H6 + HCO = CH2CHCH2 + CH2O 1.1E07 1.900 17010 0.0 0.0 0.0 - C3H6 + CH3 = CH2CHCH2 + CH4 2.2E00 3.500 5675 0.0 0.0 0.0 - C3H6 + CH3 = CH3CCH2 + CH4 8.4E-1 3.500 11656 0.0 0.0 0.0 - C3H6 + CH3 = CH3CHCH + CH4 1.4E00 3.500 12848 0.0 0.0 0.0 - - CH3CHCH + H = C3H6 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CCH2 + H = C3H6 5.0E13 0.000 0 0.0 0.0 0.0 - CH3CHCH + HO2 = C3H6 + O2 2.0E12 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + HO2 = C3H6 + O2 3.0E12 0.000 0 0.0 0.0 0.0 - CH3CCH2 + HO2 = C3H6 + O2 1.0E12 0.000 0 0.0 0.0 0.0 - - CH2CHCH2 + CH2CHCH2 = C3H6 + H2CCCH2 1.0E13 0.000 0 0.0 0.0 0.0 - - - C2H2 + CH3 = CH3CHCH 3.2E35 -7.760 13300 0.0 0.0 0.0 - - CH3CHCH + H = CH2CHCH2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHCH + H = H3CCCH + H2 2.0E13 0.000 0 0.0 0.0 0.0 - CH3CHCH + O = CH3CHCO + H 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHCH + OH = H3CCCH + H2O 1.0E13 0.000 0 0.0 0.0 0.0 - CH3CHCH + O2 = CH3CHO + HCO 1.2E23 -3.290 3892 0.0 0.0 0.0 - CH3CHCH + O2 = CH3CHCO + H + O 1.6E15 -0.780 3135 0.0 0.0 0.0 - - - C2H2 + CH3 = CH3CCH2 5.0E22 -4.390 18850 0.0 0.0 0.0 - - CH3CCH2 + H = CH2CHCH2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CCH2 + H = H3CCCH + H2 4.0E13 0.000 0 0.0 0.0 0.0 - CH3CCH2 + O = CH2CO + CH3 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CCH2 + OH = H3CCCH + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - CH3CCH2 + O2 = CH3CO + CH2O 1.2E22 -3.290 3892 0.0 0.0 0.0 - CH3CCH2 + CH3 = H3CCCH + CH4 1.0E11 0.000 0 0.0 0.0 0.0 - - C2H4 + CH2(S) = CH2CHCH2 + H 1.3E14 0.000 0 0.0 0.0 0.0 - - C2H3 + CH3 = CH2CHCH2 + H 4.7E02 3.700 5677 0.0 0.0 0.0 - - C2H2 + CH3 = CH2CHCH2 2.7E53 -12.820 35730 0.0 0.0 0.0 - - - CH2CHCH2 + H = H2CCCH2 + H2 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + O = CH2CHCHO + H 1.8E14 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + OH = H2CCCH2 + H2O 1.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + HO2 = CH2CHCHO + H + OH 1.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + O2 = H2CCCH2 + HO2 5.0E15 -1.400 22428 0.0 0.0 0.0 - CH2CHCH2 + O2 = CH2CHO + CH2O 1.1E10 0.340 12840 0.0 0.0 0.0 - CH2CHCH2 + O2 = C2H2 + CH2O + OH 2.8E25 -4.800 15468 0.0 0.0 0.0 - CH2CHCH2 + O2 = CH2CHCHO + OH 1.8E13 -0.410 22860 0.0 0.0 0.0 - CH2CHCH2 + CH3 = H2CCCH2 + CH4 3.0E12 -0.300 -131 0.0 0.0 0.0 - - - C2H3 + CH2 = H2CCCH2 + H 3.0E13 0.000 0 0.0 0.0 0.0 - - C2H2 + CH3 = H2CCCH2 + H 5.1E09 0.86 22153 0.0 0.0 0.0 - - H2CCCH2 = H3CCCH 2.2E14 0.000 68100 0.0 0.0 0.0 - H2CCCH2 + H = H3CCCH + H 1.0E13 0.000 5000 0.0 0.0 0.0 - H2CCCH2 + H = H2CCCH + H2 3.0E07 2.000 5000 0.0 0.0 0.0 - H2CCCH2 + H = CH3CHCH 1.1E30 -6.52 15200 0.0 0.0 0.0 - H2CCCH2 + H = CH3CCH2 9.2E38 -8.65 7000 0.0 0.0 0.0 - H2CCCH2 + H = CH2CHCH2 9.6E61 -14.67 26000 0.0 0.0 0.0 - H2CCCH2 + O = C2H4 + CO 2.0E07 1.800 1000 0.0 0.0 0.0 - H2CCCH2 + OH = H2CCCH + H2O 2.0E07 2.000 1000 0.0 0.0 0.0 - H2CCCH2 + CH3 = H2CCCH + CH4 1.3E12 0.000 7700 0.0 0.0 0.0 - H2CCCH2 + C2H = C2H2 + H2CCCH 1.0E13 0.000 0 0.0 0.0 0.0 - C2H2 + CH3 = H3CCCH + H 2.6E09 1.100 13644 0.0 0.0 0.0 - H3CCCH + H = H2CCCH + H2 3.0E07 2.000 5000 0.0 0.0 0.0 - - H3CCCH+O=HCCO+CH3 2.0E13 0.000 2250 0.0 0.0 0.0 - H3CCCH+O=C2H4+CO 5.8E12 0.000 2250 0.0 0.0 0.0 - H3CCCH+OH=H2CCCH+H2O 2.0E07 2.000 1000 0.0 0.0 0.0 - H3CCCH+O2 => CH3+HCO+CO 4.0E14 0.000 41900 0.0 0.0 0.0 - H3CCCH+CH3=H2CCCH+CH4 1.8E12 0.000 7700 0.0 0.0 0.0 - H3CCCH+C2H=C2H2+H2CCCH 1.0E13 0.000 0 0.0 0.0 0.0 - - cC3H4=H2CCCH2 1.5E14 0.000 50450 0.0 0.0 0.0 - cC3H4=H3CCCH 1.2E15 0.000 43730 0.0 0.0 0.0 - - C2H2+CH2=H2CCCH+H 1.2E13 0.000 6621 0.0 0.0 0.0 - C2H2+CH2(S)=H2CCCH+H 1.8E14 0.000 0 0.0 0.0 0.0 - C2H2+HCCO=H2CCCH+CO 1.0E11 0.000 3000 0.0 0.0 0.0 - C2H3+C2H3=H2CCCH+CH3 1.8E13 0.000 0 0.0 0.0 0.0 - H2CCCH=C3H2+H 5.2E12 0.000 78447 0.0 0.0 0.0 - - - H2CCCH+H=C3H2+H2 5.0E13 0.000 1000 0.0 0.0 0.0 - H2CCCH+O=CH2O+C2H 1.4E14 0.000 0 0.0 0.0 0.0 - H2CCCH+OH=C3H2+H2O 2.0E13 0.000 0 0.0 0.0 0.0 - H2CCCH+OH=CH2O+C2H2 2.0E13 0.000 0 0.0 0.0 0.0 - - H2CCCH+OH=C2H3+HCO 2.0E13 0.000 0 0.0 0.0 0.0 - - H2CCCH+HO2=H2CCCH2+O2 3.0E11 0.000 0 0.0 0.0 0.0 - H2CCCH+HO2=H3CCCH+O2 3.0E11 0.000 0 0.0 0.0 0.0 - H2CCCH+O2=CH2CO+HCO 1.7E05 1.70 1500 0.0 0.0 0.0 - H2CCCH+HCO=H2CCCH2+CO 2.5E13 0.000 0 0.0 0.0 0.0 - H2CCCH+HCO=H3CCCH+CO 2.5E13 0.000 0 0.0 0.0 0.0 - C3H2+H=C3H+H2 1.0E13 0.000 0 0.0 0.0 0.0 - C2H2+CH=C3H2+H 2.1E14 0.000 -121 0.0 0.0 0.0 - C3H2+O=C2H2+CO 1.0E14 0.000 0 0.0 0.0 0.0 - C3H2+OH=C2H2+HCO 5.0E13 0.000 0 0.0 0.0 0.0 - C3H2+O2=HCCO+CO+H 2.0E12 0.000 1000 0.0 0.0 0.0 - C3H+O=C2H+CO 1.0E13 0.000 0 0.0 0.0 0.0 - C3H+O2=HCCO+CO 1.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCHO+H=C2H4+HCO 2.0E13 0.000 3500 0.0 0.0 0.0 - CH2CHCHO+H=CH2CHCO+H2 4.0E13 0.000 4200 0.0 0.0 0.0 - CH2CHCHO+O=CH2CHCO+OH 7.2E12 0.000 1970 0.0 0.0 0.0 - CH2CHCHO+O=CH2CO+HCO+H 5.0E07 1.760 76 0.0 0.0 0.0 - CH2CHCHO+OH=CH2CHCO+H2O 1.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCHO+O2=CH2CHCO+HO2 3.0E13 0.000 36000 0.0 0.0 0.0 - CH2CHCO=C2H3+CO 1.0E14 0.000 34000 0.0 0.0 0.0 - CH2CHCO+O=C2H3+CO2 1.0E14 0.000 0 0.0 0.0 0.0 - CH2CHCO+O2=CH2CHO+CO2 5.4E20 -2.720 7000 0.0 0.0 0.0 - diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C3/reactions.txt b/output/RMG_database/kinetics_libraries/Glarborg/C3/reactions.txt deleted file mode 100644 index ec74ffcbb2..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C3/reactions.txt +++ /dev/null @@ -1,777 +0,0 @@ -// CFG - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - - - -// Glarborg, -// -// ***************************************************************************** -// H2/O2 subset * -// ***************************************************************************** -// - - H + O2 = O + OH 3.6E15 -0.410 16600 0.0 0.0 0.0 - - - H + H + H2 = H2 + H2 1.0E17 -0.600 0 0.0 0.0 0.0 - H + H + H2O = H2 + H2O 1.0E19 -1.000 0 0.0 0.0 0.0 - - O + H2 = OH + H 3.8E12 0.000 7948 0.0 0.0 0.0 - DUPLICATE - O + H2 = OH + H 8.8E14 0.000 19175 0.0 0.0 0.0 - DUPLICATE - - OH + OH = O + H2O 4.3E03 2.700 -1822 0.0 0.0 0.0 - - - OH + H2 = H + H2O 2.1E08 1.520 3449 0.0 0.0 0.0 - H2 + O2 = HO2 + H 7.4E05 2.433 53502 0.0 0.0 0.0 - HO2 + H = OH + OH 8.4E13 0.000 400 0.0 0.0 0.0 - HO2 + H = H2O + O 1.4E12 0.000 0 0.0 0.0 0.0 - HO2 + O = OH + O2 1.6E13 0.000 -445 0.0 0.0 0.0 - -// These three add up to give Glarborg's preferred rate, but the third of them -// has a negative A which RMG does not like: - // HO2 + OH = H2O + O2 3.6E21 -2.100 9000 0.0 0.0 0.0 - // // DUPLICATE - // HO2 + OH = H2O + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - // // DUPLICATE - // HO2 + OH = H2O + O2 -2.2E96 -24.000 49000 0.0 0.0 0.0 - // // DUPLICATE -// Instead here is a rate from Baulch et al JPCRF 1994 as reported by -// http://kinetics.nist.gov/kinetics/Detail?id=1994BAU/COB847-1033:91 -// although the valid temperature range is not very large... - HO2 + OH = H2O + O2 2.89E13 0.000 -497 *1.58 0.0 0.0 - - HO2 + HO2 = H2O2 + O2 1.9E11 0.000 -1408 0.0 0.0 0.0 - DUPLICATE - HO2 + HO2 = H2O2 + O2 1.0E14 0.000 11034 0.0 0.0 0.0 - DUPLICATE - - H2O2 + H = H2O + OH 1.0E13 0.000 3580 0.0 0.0 0.0 - H2O2 + H = HO2 + H2 1.7E12 0.000 3760 0.0 0.0 0.0 - H2O2 + O = HO2 + OH 9.6E06 2.000 3970 0.0 0.0 0.0 - - H2O2 + OH = H2O + HO2 1.9E12 0.000 427 0.0 0.0 0.0 - DUPLICATE - H2O2 + OH = H2O + HO2 1.6E18 0.000 29410 0.0 0.0 0.0 - DUPLICATE - -// -// ***************************************************************************** -// CO/CO2 subset * -// ***************************************************************************** -// - - - CO + O2 = CO2 + O 4.7E12 0.000 60500 0.0 0.0 0.0 - CO + HO2 = CO2 + OH 1.6E05 2.180 17943 0.0 0.0 0.0 - - HOCO + OH = CO2 + H2O 4.6E12 0.000 -89 0.0 0.0 0.0 - DUPLICATE - HOCO + OH = CO2 + H2O 9.5E06 2.000 -89 0.0 0.0 0.0 - DUPLICATE - - HOCO + OH = CO + H2O2 1.0E13 0.000 0 0.0 0.0 0.0 - HOCO + O2 = CO2 + HO2 9.9E11 0.000 0 0.0 0.0 0.0 - -// -// ***************************************************************************** -// CH2O subset * -// ***************************************************************************** -// - - CH2O + H = HCO + H2 4.1E08 1.470 2444 0.0 0.0 0.0 - CH2O + O = HCO + OH 4.2E11 0.570 2760 0.0 0.0 0.0 - CH2O + O2 = HCO + HO2 2.4E05 2.500 36461 0.0 0.0 0.0 - -//SCRATCH: RMG doesn't like this rate; cfg replaced it with baulch - CH2O + OH = HCO + H2O 7.8E07 1.630 -1055 0.0 0.0 0.0 -//CH2O + OH = HCO + H2O 4.9E12 0.0 -79.5 0.0 0.0 0.0 - CH2O + HO2 = HCO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - CH2O + CH3 = HCO + CH4 3.2E01 3.360 4310 0.0 0.0 0.0 - - HCO + H = CO + H2 1.1E14 0.000 0 0.0 0.0 0.0 - HCO + O = CO + OH 3.0E13 0.000 0 0.0 0.0 0.0 - HCO + O = CO2 + H 3.0E13 0.000 0 0.0 0.0 0.0 - HCO + OH = CO + H2O 1.1E14 0.000 0 0.0 0.0 0.0 - HCO + O2 = CO + HO2 3.4E12 0.000 0 0.0 0.0 0.0 - HCO + HO2 = CO2 + OH + H 3.0E13 0.000 0 0.0 0.0 0.0 - HCO + HCO = CO + CH2O 2.7E13 0.000 0 0.0 0.0 0.0 - -// -// ***************************************************************************** -// CH4 subset * -// ***************************************************************************** -// - - CH4 + H = CH3 + H2 4.1E03 3.156 8755 0.0 0.0 0.0 - CH4 + O = CH3 + OH 4.4E05 2.500 6577 0.0 0.0 0.0 - CH4 + OH = CH3 + H2O 1.0E06 2.182 2506 0.0 0.0 0.0 - CH4 + HO2 = CH3 + H2O2 4.7E04 2.500 21000 0.0 0.0 0.0 -//CH4 + O2 = CH3 + HO2 see reverse - CH4 + CH2 = CH3 + CH3 4.3E12 0.000 10030 0.0 0.0 0.0 - CH4 + CH2(S) = CH3 + CH3 4.3E13 0.000 0 0.0 0.0 0.0 - - - CH3 + H = CH2 + H2 9.0E13 0.000 15100 0.0 0.0 0.0 - CH2(S) + H2 = CH3 + H 7.2E13 0.000 0 0.0 0.0 0.0 - CH3 + O = CH2O + H 6.9E13 0.000 0 0.0 0.0 0.0 - CH3 + O = H2 + CO + H 1.5E13 0.000 0 0.0 0.0 0.0 - CH3 + OH = CH2 + H2O 1.1E03 3.000 2780 0.0 0.0 0.0 - CH2(S) + H2O = CH3 + OH 3.0E15 -0.600 0 0.0 0.0 0.0 - - - CH3 + HO2 = CH4 + O2 1.2E05 2.228 -3020 0.0 0.0 0.0 -// RMG dislikes! replaced with Jasper -//CH3 + HO2 = CH4 + O2 2.5E08 1.250 -1630 0.0 0.0 0.0 -//CH3 + HO2 = CH4 + O2 1.8E03 2.830 -3730 0.0 0.0 0.0 - -// replace with Jasper -CH3 + HO2 = CH3O + OH 1.0E12 0.2688 -687.5 0.0 0.0 0.0 -// CH3 + HO2 = CH3O + OH 2.0E13 0.000 1075 0.0 0.0 0.0 - CH3 + O2 = CH3O + O 7.5E12 0.000 28297 0.0 0.0 0.0 - CH3 + O2 = CH2O + OH 1.9E11 0.000 9842 0.0 0.0 0.0 - - - CH3 + HCO = CH4 + CO 2.8E13 0.000 0 0.0 0.0 0.0 - CH3 + CH3 = C2H5 + H 5.4E13 0.000 16055 0.0 0.0 0.0 - - -// CH2 + H = CH + H2 1.0E18 -1.560 0 0.0 0.0 0.0 - CH2 + O = CO + H + H 5.0E13 0.000 0 0.0 0.0 0.0 - CH2 + O = CO + H2 3.0E13 0.000 0 0.0 0.0 0.0 - CH2 + OH = CH2O + H 3.0E13 0.000 0 0.0 0.0 0.0 -// CH2 + OH = CH + H2O 1.1E07 2.000 3000 0.0 0.0 0.0 - CH2 + O2 = CO + H2O 2.2E22 -3.300 2867 0.0 0.0 0.0 - CH2 + O2 = CO2 + H + H 3.3E21 -3.300 2867 0.0 0.0 0.0 - CH2 + O2 = CH2O + O 3.3E21 -3.300 2867 0.0 0.0 0.0 - CH2 + O2 = CO2 + H2 2.6E21 -3.300 2867 0.0 0.0 0.0 - CH2 + O2 = CO + OH + H 1.6E21 -3.300 2867 0.0 0.0 0.0 - CH2 + CO2 = CO + CH2O 1.0E11 0.000 1000 0.0 0.0 0.0 - - - CH2(S) + H = CH2 + H 2.0E14 0.000 0 0.0 0.0 0.0 -// CH2(S) + H = CH + H2 3.0E13 0.000 0 0.0 0.0 0.0 - CH2(S) + O = CO + H + H 3.0E13 0.000 0 0.0 0.0 0.0 - CH2(S) + OH = CH2O + H 3.0E13 0.000 0 0.0 0.0 0.0 - CH2(S) + O2 = CO + OH + H 7.0E13 0.000 0 0.0 0.0 0.0 - CH2(S) + H2O = CH2 + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH2(S) + CO2 = CH2O + CO 1.1E13 0.000 0 0.0 0.0 0.0 -// CH + H = C + H2 1.5E14 0.000 0 0.0 0.0 0.0 -// CH + O = CO + H 5.7E13 0.000 0 0.0 0.0 0.0 -// CH + OH = HCO + H 3.0E13 0.000 0 0.0 0.0 0.0 -// CH + OH = C + H2O 4.0E07 2.000 3000 0.0 0.0 0.0 -// CH + O2 = HCO + O 3.3E13 0.000 0 0.0 0.0 0.0 -// CH + H2O = CH2O + H 5.7E12 0.000 -755 0.0 0.0 0.0 -// CH + CO2 = HCO + CO 8.8E06 1.750 -1040 0.0 0.0 0.0 -// C + OH = CO + H 5.0E13 0.000 0 0.0 0.0 0.0 -// C + O2 = CO + O 2.0E13 0.000 0 0.0 0.0 0.0 - - - CH3OH + H = CH2OH + H2 2.9E09 1.240 4491 0.0 0.0 0.0 - CH3OH + H = CH3O + H2 5.1E08 1.240 4491 0.0 0.0 0.0 - CH3OH + O = CH2OH + OH 2.1E13 0.000 5305 0.0 0.0 0.0 - CH3OH + O = CH3O + OH 3.7E12 0.000 5305 0.0 0.0 0.0 - CH3OH + OH = CH2OH + H2O 1.5E08 1.4434 113 0.0 0.0 0.0 - CH3OH + OH = CH3O + H2O 2.7E07 1.4434 113 0.0 0.0 0.0 - CH3OH + HO2 = CH2OH + H2O2 2.0E13 0.000 15000 0.0 0.0 0.0 - CH3OH + O2 = CH2OH + HO2 6.0E13 0.000 46600 0.0 0.0 0.0 - CH3OH + O2 = CH3O + HO2 6.0E13 0.000 54800 0.0 0.0 0.0 - - - CH2OH + H = CH2O + H2 1.4E13 0.000 0 0.0 0.0 0.0 - CH2OH + H = CH3 + OH 6.0E12 0.000 0 0.0 0.0 0.0 - - - CH2OH + O = CH2O + OH 6.6E13 0.000 -693 0.0 0.0 0.0 - CH2OH + OH = CH2O + H2O 2.4E13 0.000 0 0.0 0.0 0.0 - CH2OH + HO2 = CH2O + H2O2 1.2E13 0.000 0 0.0 0.0 0.0 - - CH2OH + O2 = CH2O + HO2 7.2E13 0.000 3736 0.0 0.0 0.0 - DUPLICATE - CH2OH + O2 = CH2O + HO2 2.9E16 -1.500 0 0.0 0.0 0.0 - DUPLICATE - - CH2OH + HCO = CH3OH + CO 1.0E13 0.000 0 0.0 0.0 0.0 - CH2OH + HCO = CH2O + CH2O 1.5E13 0.000 0 0.0 0.0 0.0 - CH2OH + CH2O = CH3OH + HCO 5.5E03 2.810 5862 0.0 0.0 0.0 - CH2OH + CH2OH = CH3OH + CH2O 4.8E12 0.000 0 0.0 0.0 0.0 - CH2OH + CH3O = CH3OH + CH2O 2.4E12 0.000 0 0.0 0.0 0.0 - CH2OH + CH4 = CH3OH + CH3 2.2E01 3.100 16227 0.0 0.0 0.0 - - - CH3O + H = CH2O + H2 5.3E13 0.000 745 0.0 0.0 0.0 - CH3O + H = CH3 + OH 4.6E12 0.000 745 0.0 0.0 0.0 - - - CH3O + O = CH2O + OH 3.8E12 0.000 0 0.0 0.0 0.0 - CH3O + OH = CH2O + H2O 1.8E13 0.000 0 0.0 0.0 0.0 - CH3O + HO2 = CH2O + H2O2 3.0E11 0.000 0 0.0 0.0 0.0 - CH3O + O2 = CH2O + HO2 2.2E10 0.000 1749 0.0 0.0 0.0 - CH3O + CO = CH3 + CO2 9.5E25 -4.930 9080 0.0 0.0 0.0 - CH3O + CH3 = CH2O + CH4 2.4E13 0.000 0 0.0 0.0 0.0 - CH3O + CH4 = CH3OH + CH3 1.3E14 0.000 15073 0.0 0.0 0.0 - CH3O + CH2O = CH3OH + HCO 1.0E11 0.000 2981 0.0 0.0 0.0 - - CH3O + CH3O = CH3OH + CH2O 6.0E13 0.000 0 0.0 0.0 0.0 - - - CH3OOH + H = CH2O + OH + H2 5.4E10 0.000 1860 0.0 0.0 0.0 - CH3OOH + H = CH3OO + H2 5.4E10 0.000 1860 0.0 0.0 0.0 - CH3OOH + H = CH3O + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH3OOH + O = CH2O + OH + OH 1.6E13 0.000 4750 0.0 0.0 0.0 - CH3OOH + O = CH3OO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH3OOH + OH = CH3OO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH3OOH + OH = CH2O + OH + H2O 7.2E11 0.000 -258 0.0 0.0 0.0 - CH3OOH + HO2 = CH3OO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - - CH3OO + H = CH3O + OH 1.0E14 0.000 0 0.0 0.0 0.0 - CH3OO + O = CH3O + O2 1.6E13 0.000 -445 0.0 0.0 0.0 - CH3OO + OH = CH3OH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH3OO + OH = CH3O + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH3OO + HO2 = CH3OOH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 - CH3OO + CH3 = CH3O + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3OO + CH4 = CH3OOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH3OO + HCO = CH3O + H + CO2 3.0E13 0.000 0 0.0 0.0 0.0 - CH3OO + CO = CH3O + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH3OO + CH2O = CH3OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH3OO + CH3O = CH2O + CH3OOH 3.0E11 0.000 0 0.0 0.0 0.0 - CH3OO + CH3OH = CH3OOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH3OO + CH3OO = CH3O + CH3O + O2 1.1E18 -2.400 1800 0.0 0.0 0.0 - DUPLICATE - CH3OO + CH3OO = CH3O + CH3O + O2 7.0E10 0.000 800 0.0 0.0 0.0 - DUPLICATE - - CH3OO + CH3OO = CH3OH + CH2O + O2 2.0E11 -0.550 -1600 0.0 0.0 0.0 - CH3OO + C2H5 = CH3O + CH3CH2O 5.1E12 0.000 -1410 0.0 0.0 0.0 - CH3OO + C2H6 = CH3OOH + C2H5 1.9E01 3.640 17100 0.0 0.0 0.0 - - -// -// ***************************************************************************** -// C2 subset * -// ***************************************************************************** -// - - C2H6 + H = C2H5 + H2 9.8E13 0.000 9220 0.0 0.0 0.0 - C2H6 + O = C2H5 + OH 1.1E-07 6.500 274 0.0 0.0 0.0 - C2H6 + OH = C2H5 + H2O 9.2E06 2.000 990 0.0 0.0 0.0 - C2H6 + HO2 = C2H5 + H2O2 1.1E05 2.500 16850 0.0 0.0 0.0 - C2H6 + O2 = C2H5 + HO2 7.3E05 2.500 49160 0.0 0.0 0.0 - - C2H6 + CH3 = C2H5 + CH4 5.6E10 0.000 9418 0.0 0.0 0.0 - DUPLICATE - C2H6 + CH3 = C2H5 + CH4 8.4E14 0.000 22250 0.0 0.0 0.0 - DUPLICATE - - C2H6 + CH2(S) = C2H5 + CH3 1.2E14 0.000 0 0.0 0.0 0.0 - - C2H5 + O = CH3 + CH2O 4.2E13 0.000 0 0.0 0.0 0.0 - C2H5 + O = CH3CHO + H 5.3E13 0.000 0 0.0 0.0 0.0 - C2H5 + O = C2H4 + OH 3.1E13 0.000 0 0.0 0.0 0.0 - C2H5 + OH = C2H4 + H2O 2.4E13 0.000 0 0.0 0.0 0.0 - C2H5 + HO2 = CH3CH2O + OH 3.1E13 0.000 0 0.0 0.0 0.0 - - C2H5 + O2 = C2H4 + HO2 1.4E07 1.090 -1975 0.0 0.0 0.0 - - C2H5 + CH2O = C2H6 + HCO 5.5E03 2.810 5860 0.0 0.0 0.0 - C2H5 + HCO = C2H6 + CO 4.3E13 0.000 0 0.0 0.0 0.0 -//C2H5 + HCO = C2H6 + CO 1.2E14 0.000 0 0.0 0.0 0.0 - C2H5 + CH3 = C2H4 + CH4 9.0E11 0.000 0 0.0 0.0 0.0 - C2H5 + C2H5 = C2H6 + C2H4 1.5E12 0.000 0 0.0 0.0 0.0 - - C2H4 + H = C2H3 + H2 2.4E02 3.620 11266 0.0 0.0 0.0 -// CH4 + CH = C2H4 + H 3.0E13 0.000 -400 0.0 0.0 0.0 - CH3 + CH2 = C2H4 + H 4.2E13 0.000 0 0.0 0.0 0.0 - CH3 + CH2(S) = C2H4 + H 2.0E13 0.000 0 0.0 0.0 0.0 - - C2H4 + O = CH3 + HCO 3.9E12 0.000 1494 0.0 0.0 0.0 - DUPLICATE - C2H4 + O = CH3 + HCO 6.2E13 0.000 6855 0.0 0.0 0.0 - DUPLICATE - - C2H4 + O = CH2CHO + H 1.7E12 0.000 1494 0.0 0.0 0.0 - DUPLICATE - C2H4 + O = CH2CHO + H 2.8E13 0.000 6855 0.0 0.0 0.0 - DUPLICATE - -// RMG doesn't like this rate; I replaced it with NIST -// C2H4 + OH = C2H3 + H2O 1.3E-1 4.200 -860 0.0 0.0 0.0 -C2H4 + OH = C2H3 + H2O 5.4E07 1.8 4166 0.0 0.0 0.0 - -// Alternative fit to 60 atm,600-900K with no duplicate -// fit to 60 atm,600-900K -// C2H4 + OH = CH2CH2OH 2.4E20 -2.399 3294 0.0 0.0 0.0 - - C2H4 + HO2 = cC2H4O + OH 2.2E12 0.000 17200 0.0 0.0 0.0 - C2H4 + O2 = C2H3 + HO2 7.1E13 0.000 60010 0.0 0.0 0.0 - C2H4 + CH3 = C2H3 + CH4 6.0E07 1.560 16630 0.0 0.0 0.0 - - C2H3 + H = C2H2 + H2 4.5E13 0.000 0 0.0 0.0 0.0 -// CH3 + CH = C2H3 + H 3.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + O = CH2CO + H 3.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + OH = C2H2 + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - - C2H3 + HO2 = CH2CHO + OH 3.0E13 0.000 0 0.0 0.0 0.0 -// PM 60 bar -// RMG dislikes; cfg replaced w mclin -// C2H3 + O2 = CH2CHOO 1.1E12 0.000 -1680 0.0 0.0 0.0 -// C.F.Goldsmith replaced the above rate expression from Glarborg with the following rate expression from -// A. M. Mebel, E. W. G. Diau, M. C. Lin, and K. Morokuma J. Am. Chem. Soc. 1996, 118, 9759-9771 http://dx.doi.org/10.1021/ja961476e - C2H3 + O2 = CH2CHOO 3.0E36 -8.0 5680 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2O + HCO 6.3E12 0.000 3130 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2CHO + O 4.8E12 0.000 4800 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = C2H2 + HO2 7.6E11 0.000 7930 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH3O + CO 2.8E11 0.000 3130 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH3 + CO2 1.3E10 0.000 3130 0.0 0.0 0.0 - - - C2H3 + CH2O = C2H4 + HCO 5.4E03 2.810 5860 0.0 0.0 0.0 - C2H3 + HCO = C2H4 + CO 9.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + CH3 = C2H2 + CH4 2.1E13 0.000 0 0.0 0.0 0.0 -// C2H3 + CH = CH2 + C2H2 5.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + C2H3 = C2H4 + C2H2 1.5E13 0.000 0 0.0 0.0 0.0 - C2H3 + C2H = C2H2 + C2H2 3.0E13 0.000 0 0.0 0.0 0.0 - -// CH3 + C = C2H2 + H 5.0E13 0.000 0 0.0 0.0 0.0 -// CH2 + CH = C2H2 + H 4.0E13 0.000 0 0.0 0.0 0.0 - CH2 + CH2 = C2H2 + H + H 3.2E13 0.000 0 0.0 0.0 0.0 -//CH2 + CH2 = C2H2 + H + H 4.0E13 0.000 0 0.0 0.0 0.0 - - C2H2 + O = HCCO + H 1.4E07 2.000 1900 0.0 0.0 0.0 - C2H2 + O = CH2 + CO 6.1E06 2.000 1900 0.0 0.0 0.0 - C2H2 + O = C2H + OH 3.2E15 -0.600 15000 0.0 0.0 0.0 - C2H2 + HO2 = CH2O + HCO 3.0E12 0.000 10000 0.0 0.0 0.0 - C2H2 + HO2 = CH2CHO + O 3.0E12 0.000 10000 0.0 0.0 0.0 - C2H2 + O2 = HCO + HCO 7.0E07 1.800 30600 0.0 0.0 0.0 - C2H2 + CH2(S) = C2H2 + CH2 4.0E13 0.000 0 0.0 0.0 0.0 - - H2CC = C2H2 1.0E07 0.000 0 0.0 0.0 0.0 - H2CC + H = C2H2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - H2CC + OH = CH2CO + H 2.0E13 0.000 0 0.0 0.0 0.0 - H2CC + O2 = CH2 + CO2 1.0E13 0.000 0 0.0 0.0 0.0 - - C2 + H2 = C2H + H 4.0E05 2.40 1000 0.0 0.0 0.0 -// CH2 + C = C2H + H 5.0E13 0.000 0 0.0 0.0 0.0 -// C2H + O = CH + CO 5.0E13 0.000 0 0.0 0.0 0.0 - C2H + OH = HCCO + H 2.0E13 0.000 0 0.0 0.0 0.0 - C2H + OH = C2 + H2O 4.0E07 2.000 8000 0.0 0.0 0.0 - C2H + H2 = C2H2 + H 4.1E05 2.390 864 0.0 0.0 0.0 - C2H + O2 = CO + CO + H 4.7E13 -0.16 0 0.0 0.0 0.0 - C2H + CH4 = CH3 + C2H2 7.2E12 0.000 976 0.0 0.0 0.0 - - -// C2 + O = C + CO 1.0E14 0.000 0 0.0 0.0 0.0 - C2 + OH = C2O + H 5.0E13 0.000 0 0.0 0.0 0.0 - C2 + O2 = CO + CO 9.0E12 0.000 980 0.0 0.0 0.0 - - - CH3CH2OH + H = CH3CHOH + H2 2.6E07 1.650 2827 0.0 0.0 0.0 - CH3CH2OH + H = CH2CH2OH + H2 1.2E07 1.800 5098 0.0 0.0 0.0 - CH3CH2OH + H = CH3CH2O + H2 1.5E07 1.650 3038 0.0 0.0 0.0 - CH3CH2OH + O = CH3CHOH + OH 1.9E07 1.850 1824 0.0 0.0 0.0 - CH3CH2OH + O = CH2CH2OH + OH 9.4E07 1.700 5459 0.0 0.0 0.0 - CH3CH2OH + O = CH3CH2O + OH 1.6E07 2.000 4448 0.0 0.0 0.0 - CH3CH2OH + OH = CH3CHOH + H2O 4.6E11 0.150 0 0.0 0.0 0.0 - CH3CH2OH + OH = CH2CH2OH + H2O 1.7E11 0.270 600 0.0 0.0 0.0 - CH3CH2OH + OH = CH3CH2O + H2O 7.5E11 0.300 1634 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH3CHOH + H2O2 8.2E03 2.550 10750 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH2CH2OH + H2O2 1.2E04 2.550 15750 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH3CH2O + H2O2 2.5E12 0.000 24000 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH3CHOH + CH4 7.3E02 2.990 7948 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH2CH2OH + CH4 2.2E02 3.180 9622 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH3CH2O + CH4 1.5E02 2.990 7649 0.0 0.0 0.0 - - CH3CHOH + O = CH3CHO + OH 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHOH + H = CH2OH + CH3 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CHOH + H = C2H4 + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CHOH + OH = CH3CHO + H2O 5.0E12 0.000 0 0.0 0.0 0.0 - CH3CHOH + HO2 = CH3CHO + OH + OH 4.0E13 0.000 0 0.0 0.0 0.0 - - CH3CHOH + O2 = CH3CHO + HO2 8.4E15 -1.200 0 0.0 0.0 0.0 - DUPLICATE - CH3CHOH + O2 = CH3CHO + HO2 4.8E14 0.000 5017 0.0 0.0 0.0 - DUPLICATE - - CH2CH2OH = CH2CHOH + H 2.2E05 2.840 32920 0.0 0.0 0.0 - CH3CH2O = CH2CH2OH 2.8E-29 11.900 4450 0.0 0.0 0.0 - CH2CH2OH + H = CH3 + CH2OH 1.0E14 0.000 0 0.0 0.0 0.0 - - CH2CH2OH + O = CH2O + CH2OH 4.0E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + O = HOCH2CHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + OH = CH2CHOH + H2O 2.4E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + OH = HOCH2CHOH 3.3E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + HO2 = CH3CH2OH + O2 1.0E12 0.000 0 0.0 0.0 0.0 - CH2CH2OH + HO2 => CH2OH + CH2O + OH 3.0E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + HO2 = HOCH2CH2O + OH 3.0E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + O2 = CH2CHOH + HO2 1.4E07 1.090 -1975 0.0 0.0 0.0 - - CH3CH2O = CH3CHO + H 1.3E13 0.000 20060 0.0 0.0 0.0 - CH3CH2O + H = CH3CHO + H2 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CH2O + OH = CH3CHO + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CH2O + O2 = CH3CHO + HO2 1.5E10 0.000 645 0.0 0.0 0.0 - CH3CH2O + CO = C2H5 + CO2 9.5E25 -4.930 9080 0.0 0.0 0.0 - - - CH3CHO + H = CH3CO + H2 4.7E13 -0.350 3000 0.0 0.0 0.0 - CH3CHO + H = CH2CHO + H2 1.9E12 0.400 5359 0.0 0.0 0.0 - CH3CHO + O = CH3CO + OH 1.8E18 -1.900 2975 0.0 0.0 0.0 - CH3CHO + O = CH2CHO + OH 3.7E13 -0.200 3556 0.0 0.0 0.0 - CH3CHO + OH = CH3CO + H2O 2.4E11 0.300 -1000 0.0 0.0 0.0 - CH3CHO + OH = CH2CHO + H2O 3.0E13 -0.600 800 0.0 0.0 0.0 - CH3CHO + HO2 = CH3CO + H2O2 2.4E19 -2.200 14030 0.0 0.0 0.0 - CH3CHO + HO2 = CH2CHO + H2O2 2.3E11 0.400 14864 0.0 0.0 0.0 - CH3CHO + O2 = CH3CO + HO2 1.2E05 2.500 37554 0.0 0.0 0.0 - CH3CHO + CH3 = CH3CO + CH4 3.9E-07 5.800 2200 0.0 0.0 0.0 - CH3CHO + CH3 = CH2CHO + CH4 2.5E01 3.150 5727 0.0 0.0 0.0 - - cC2H4O = CH2CHO + H 1.8E13 0.200 71780 0.0 0.0 0.0 - cC2H4O = CH3 + HCO 5.6E13 0.400 61880 0.0 0.0 0.0 - cC2H4O = CH3CO + H 2.4E13 0.250 65310 0.0 0.0 0.0 - cC2H4O = CH2CO + H2 3.6E12 -0.200 63030 0.0 0.0 0.0 - cC2H4O = CH3CHO 3.2E12 -0.750 46424 0.0 0.0 0.0 - cC2H4O = C2H2 + H2O 7.6E12 0.060 69530 0.0 0.0 0.0 -//cC2H4O + H = CH3CHO + H 5.6E13 0.000 10950 0.0 0.0 0.0 - cC2H4O + H = cC2H3O + H2 2.0E13 0.000 8310 0.0 0.0 0.0 - cC2H4O + H = C2H3 + H2O 5.0E09 0.000 5000 0.0 0.0 0.0 - cC2H4O + H = C2H4 + OH 9.5E10 0.000 5000 0.0 0.0 0.0 - cC2H4O + O = cC2H3O + OH 1.9E12 0.000 5250 0.0 0.0 0.0 - cC2H4O + OH = cC2H3O + H2O 1.8E13 0.000 3610 0.0 0.0 0.0 - cC2H4O + HO2 = cC2H3O + H2O2 4.0E12 0.000 17000 0.0 0.0 0.0 - cC2H4O + O2 = cC2H3O + HO2 4.0E13 0.000 61500 0.0 0.0 0.0 - cC2H4O + CH3 = cC2H3O + CH4 1.1E12 0.000 11830 0.0 0.0 0.0 - - CH2CHOH + H = CHCHOH + H2 2.4E02 3.630 11266 0.0 0.0 0.0 - CH2CHOH + H = CH2CHO + H2 1.5E07 1.700 3000 0.0 0.0 0.0 - - CH2CHOH + O = CH2OH + HCO 3.9E12 0.000 1494 0.0 0.0 0.0 - DUPLICATE - CH2CHOH + O = CH2OH + HCO 6.2E13 0.000 6855 0.0 0.0 0.0 - DUPLICATE - - CH2CHOH + O = CH2CHO + OH 1.6E07 2.000 4400 0.0 0.0 0.0 - CH2CHOH + OH = CHCHOH + H2O 1.3E-1 4.200 -860 0.0 0.0 0.0 - CH2CHOH + OH = CH2CHO + H2O 7.5E11 0.300 1600 0.0 0.0 0.0 - CH2CHOH + O2 => CH2O + HCO + OH 3.5E07 1.800 39000 0.0 0.0 0.0 - - CHCHOH + H = CH2CHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CHCHOH + O = OCHCHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CHCHOH + O2 = HCCOH + HO2 1.4E02 3.400 3700 0.0 0.0 0.0 -//#CHCHOH + O2 = OCHCHO + OH 2.5E12 0.000 0 0.0 0.0 0.0 - - cC2H3O = CH2CHO 8.7E31 -6.900 14994 0.0 0.0 0.0 - cC2H3O = CH2CO + H 5.0E13 0.000 14863 0.0 0.0 0.0 - cC2H3O = CH3 + CO 7.1E12 0.000 14280 0.0 0.0 0.0 - - - CH2CHO + H = CH3 + HCO 1.0E14 0.000 0 0.0 0.0 0.0 - CH2CHO + H = CH3CO + H 3.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + H = CH2CO + H2 2.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + O = CH2CO + OH 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + OH = CH2CO + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + OH = CH2OH + HCO 1.0E13 0.000 0 0.0 0.0 0.0 - -//#CH2CHO + O2 = OCHCHO + OH 2.2E11 0.000 1500 0.0 0.0 0.0 - CH2CHO + CH3 = C2H5 + CO + H 4.9E14 -0.500 0 0.0 0.0 0.0 - CH2CHO + HO2 = CH2O + HCO + OH 7.0E12 -0.500 0 0.0 0.0 0.0 - CH2CHO + HO2 = CH3CHO + O2 3.0E12 -0.500 0 0.0 0.0 0.0 - CH2CHO + CH2 = C2H4 + HCO 5.0E13 0.000 0 0.0 0.0 0.0 -// CH2CHO + CH = C2H3 + HCO 1.0E14 0.000 0 0.0 0.0 0.0 - - - CH2CO + H = CH3CO 2.3E08 1.610 2627 0.0 0.0 0.0 - CH3CO + H = CH3 + HCO 2.1E13 0.000 0 0.0 0.0 0.0 - CH3CO + H = CH2CO + H2 1.2E13 0.000 0 0.0 0.0 0.0 - CH3CO + O = CH3 + CO2 1.6E14 0.000 0 0.0 0.0 0.0 - CH3CO + O = CH2CO + OH 5.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + OH = CH2CO + H2O 1.2E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3OO = CH3 + CO2 + CH3O 2.4E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3 = C2H6 + CO 3.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3 = CH2CO + CH4 5.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + O2 = CH2O + CO + OH 1.9E12 0.000 0 0.0 0.0 0.0 - - CH2CO + H = CH3 + CO 3.3E10 0.851 2840 0.0 0.0 0.0 - CH2CO + H = HCCO + H2 3.0E07 2.000 10000 0.0 0.0 0.0 -// CH + CH2O = CH2CO + H 9.5E13 0.000 -517 0.0 0.0 0.0 - CH2CO + O = CO2 + CH2 1.8E12 0.000 1350 0.0 0.0 0.0 - CH2CO + O = HCCO + OH 2.0E07 2.000 10000 0.0 0.0 0.0 - CH2CO + OH = CH2OH + CO 1.0E12 0.000 -1013 0.0 0.0 0.0 - CH2CO + OH = CH3 + CO2 6.7E11 0.000 -1013 0.0 0.0 0.0 - CH2CO + OH = HCCO + H2O 1.0E07 2.000 3000 0.0 0.0 0.0 - CH2CO + CH2(S) = C2H4 + CO 1.6E14 0.000 0 0.0 0.0 0.0 - - HCCOH + H = HCCO + H2 3.0E07 2.000 1000 0.0 0.0 0.0 - HCCOH + O = HCCO + OH 2.0E07 2.000 1900 0.0 0.0 0.0 - HCCOH + OH = HCCO + H2O 1.0E07 2.000 1000 0.0 0.0 0.0 - - - HCCO + H = CH2(S) + CO 1.5E14 0.000 0 0.0 0.0 0.0 - HCCO + O = CO + CO + H 1.0E14 0.000 0 0.0 0.0 0.0 - HCCO + OH = HCO + HCO 1.0E13 0.000 0 0.0 0.0 0.0 - HCCO + OH = C2O + H2O 6.0E13 0.000 0 0.0 0.0 0.0 - HCCO + O2 = CO2 + CO + H 4.9E12 -0.142 1150 0.0 0.0 0.0 - HCCO + O2 = CO + CO + OH 1.6E11 -0.020 1020 0.0 0.0 0.0 - HCCO + O2 = HCO + CO + O 2.2E02 2.690 3540 0.0 0.0 0.0 - HCCO + CH2 = C2H3 + CO 3.0E13 0.000 0 0.0 0.0 0.0 -// HCCO + CH = C2H2 + CO 5.0E13 0.000 0 0.0 0.0 0.0 - HCCO + HCCO = C2H2 + CO + CO 1.0E13 0.000 0 0.0 0.0 0.0 - - - -// C2O + H = CH + CO 1.3E13 0.000 0 0.0 0.0 0.0 - C2O + O = CO + CO 5.2E13 0.000 0 0.0 0.0 0.0 - C2O + OH = CO + CO + H 2.0E13 0.000 0 0.0 0.0 0.0 - C2O + O2 = CO + CO + O 1.0E13 0.000 2600 0.0 0.0 0.0 - C2O + O2 = CO + CO2 1.0E13 0.000 2600 0.0 0.0 0.0 - -// C2O + C = CO + C2 1.0E14 0.000 0 0.0 0.0 0.0 - - - CH3CH2OOH + H = CH3CHO + OH + H2 6.5E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + H = CH3CH2OO + H2 4.3E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + H = CH3CH2O + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + O = CH3CHO + OH + OH 1.6E13 0.000 4750 0.0 0.0 0.0 - CH3CH2OOH + O = CH3CH2OO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH3CH2OOH + OH = CH3CHO + OH + H2O 7.2E11 0.000 -258 0.0 0.0 0.0 - CH3CH2OOH + OH = CH3CH2OO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH3CH2OOH + HO2 = CH3CH2OO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - - - CH3CH2OO + H = CH3CH2O + OH 9.6E13 0.000 0 0.0 0.0 0.0 - CH3CH2OO + O = CH3CH2O + O2 1.6E13 0.000 -145 0.0 0.0 0.0 - CH3CH2OO + OH = CH3CH2OH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH3CH2OO + OH = CH3CH2O + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH3CH2OO + HO2 = CH3CH2OOH + O2 4.5E11 0.000 -1391 0.0 0.0 0.0 - CH3CH2OO + CO = CH3CH2O + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH3CH2OO + CH3 = CH3CH2O + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3CH2OO + CH4 = CH3CH2OOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH3CH2OO + CH3OH = CH3CH2OOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH3CH2OO + CH2O = CH3CH2OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH3CH2OO + C2H5 = CH3CH2O + CH3CH2O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3CH2OO + C2H6 = CH3CH2OOH + C2H5 8.6E00 3.760 17200 0.0 0.0 0.0 - CH3CH2OO + CH3CHO = CH3CH2OOH + CH3CO 2.4E19 -2.200 14030 0.0 0.0 0.0 - CH3CH2OO + CH3CHO = CH3CH2OOH + CH2CHO 2.3E11 0.400 14864 0.0 0.0 0.0 - CH3CH2OO + CH3CH2OO = CH3CH2O + CH3CH2O + O2 2.9E11 -0.270 408 0.0 0.0 0.0 - CH3CH2OO + CH3CH2OO = CH3CHO + CH3CH2OH + O2 4.3E09 0.000 -850 0.0 0.0 0.0 - - CH2CH2OOH = cC2H4O + OH 1.3E10 0.720 15380 0.0 0.0 0.0 - CH2CH2OOH = CH3CH2OO 1.2E07 1.040 17980 0.0 0.0 0.0 - CH2CH2OOH = C2H4 + HO2 1.3E11 0.520 16150 0.0 0.0 0.0 - - CH2CHOOH + H = CH2CHOO + H2 4.3E10 0.000 1860 0.0 0.0 0.0 - CH2CHOOH + H = CH2CHO + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH2CHOOH + O = CH2CHOO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH2CHOOH + OH = CH2CHOO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH2CHOOH + HO2 = CH2CHOO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - -// 100 atm - CH2CHOO = C2H2 + HO2 9.6E48 -8.868 110591 0.0 0.0 0.0 -// 100 atm - CH2CHOO = CH2O + HCO 3.1E47 -8.701 111046 0.0 0.0 0.0 -// 60atm, 6-900K fit -// CH2CHOO = CYCOOC. 3.9E09 0.000 22250 0.0 0.0 0.0 -// 100 atm -//CH2CHOO = CYCOOC. 1.1E19 -2.782 26427 0.0 0.0 0.0 - - CH2CHOO + H = CH2CHO + OH 9.6E13 0.000 0 0.0 0.0 0.0 - CH2CHOO + O = CH2CHO + O2 1.6E13 0.000 -145 0.0 0.0 0.0 - CH2CHOO + OH = CH2CHOH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH2CHOO + OH = CH2CHO + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH2CHOO + HO2 = CH2CHOOH + O2 4.5E11 0.000 -1391 0.0 0.0 0.0 - CH2CHOO + CO = CH2CHO + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH2CHOO + CH3 = CH2CHO + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH2CHOO + CH4 = CH2CHOOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH2CHOO + CH3OH = CH2CHOOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH2CHOO + CH2O = CH2CHOOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH2CHOO + C2H6 = CH2CHOOH + C2H5 8.6E00 3.760 17200 0.0 0.0 0.0 - -// 60atm, 6-900K fit -// CYCOOC. = CH2O + HCO 6.1E10 0.000 914 0.0 0.0 0.0 -// meohcys4e (100 atm) -// CYCOOC. = OCHCHO + H 1.6E13 -1.093 3159 0.0 0.0 0.0 - - - - OCHCHO + H = CH2O + HCO 3.0E13 0.000 0 0.0 0.0 0.0 - OCHCHO + OH = HCO + CO + H2O 6.6E12 0.000 0 0.0 0.0 0.0 - -// HOCH2CH2OO = CH2O + CH2O + OH 9.4E08 0.994 22250 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 = HOCH2CH2OOH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 => HOCH2CH2O + OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 => CH2O + CH2OH + OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -// HOCH2CH2OO + HO2 => CH2O + OH + CH2OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + CH2O => HOCH2CH2OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -//HOCH2CH2OO + CH2O => CH2O + CH2OH + OH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -// HOCH2CH2OO + CH2O => CH2O + OH + CH2OH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -//HOCH2CH2OO + C2H4 => HOCH2CH2O + CH3CHO 2.2E12 0.000 17200 0.0 0.0 0.0 -// HOCH2CH2OO + C2H4 => CH2O + CH2OH + CH3CHO 2.2E12 0.000 17200 0.0 0.0 0.0 - - -// -// ***************************************************************************** -// C3 subset * -// ***************************************************************************** -// - - C2H5 + HCO = C2H5CHO 1.8E13 0.000 0 0.0 0.0 0.0 - C2H5 + CO = C2H5CO 1.5E11 0.000 4800 0.0 0.0 0.0 - - CH2CHO + CH3 = C2H5CHO 5.0E13 0.000 0 0.0 0.0 0.0 - - C2H5CHO + H = C2H5CO + H2 8.0E13 0.000 0 0.0 0.0 0.0 - C2H5CHO + O = C2H5CO + OH 7.8E12 0.000 1730 0.0 0.0 0.0 - C2H5CHO + OH = C2H5CO + H2O 1.2E13 0.000 0 0.0 0.0 0.0 - - - - - C3H6 = C2H2 + CH4 3.5E12 0.000 70000 0.0 0.0 0.0 - C3H6 = H2CCCH2 + H2 4.0E13 0.000 80000 0.0 0.0 0.0 - - C3H6 + H = C2H4 + CH3 7.2E12 0.000 1302 0.0 0.0 0.0 - C3H6 + H = CH2CHCH2 + H2 1.7E05 2.500 2492 0.0 0.0 0.0 - C3H6 + H = CH3CCH2 + H2 4.1E05 2.500 9794 0.0 0.0 0.0 - C3H6 + H = CH3CHCH + H2 8.0E05 2.500 12284 0.0 0.0 0.0 - C3H6 + O = C2H5 + HCO 1.6E07 1.760 -1220 0.0 0.0 0.0 - C3H6 + O = CH2CHCH2 + OH 5.2E11 0.700 5884 0.0 0.0 0.0 - C3H6 + O = CH3CHCH + OH 1.2E11 0.700 8959 0.0 0.0 0.0 - C3H6 + O = CH3CCH2 + OH 6.0E10 0.700 7632 0.0 0.0 0.0 - C3H6 + O = CH3CHCO + H + H 5.0E07 1.760 76 0.0 0.0 0.0 - C3H6 + OH = CH2CHCH2 + H2O 3.1E06 2.000 -298 0.0 0.0 0.0 - C3H6 + OH = CH3CCH2 + H2O 1.1E06 2.000 1451 0.0 0.0 0.0 - C3H6 + OH = CH3CHCH + H2O 2.1E06 2.000 2778 0.0 0.0 0.0 - C3H6 + HO2 = CH2CHCH2 + H2O2 9.6E03 2.600 13910 0.0 0.0 0.0 - - C3H6 + HCO = CH2CHCH2 + CH2O 1.1E07 1.900 17010 0.0 0.0 0.0 - C3H6 + CH3 = CH2CHCH2 + CH4 2.2E00 3.500 5675 0.0 0.0 0.0 - C3H6 + CH3 = CH3CCH2 + CH4 8.4E-1 3.500 11656 0.0 0.0 0.0 - C3H6 + CH3 = CH3CHCH + CH4 1.4E00 3.500 12848 0.0 0.0 0.0 - - CH3CHCH + H = C3H6 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CCH2 + H = C3H6 5.0E13 0.000 0 0.0 0.0 0.0 - CH3CHCH + HO2 = C3H6 + O2 2.0E12 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + HO2 = C3H6 + O2 3.0E12 0.000 0 0.0 0.0 0.0 - CH3CCH2 + HO2 = C3H6 + O2 1.0E12 0.000 0 0.0 0.0 0.0 - - CH2CHCH2 + CH2CHCH2 = C3H6 + H2CCCH2 1.0E13 0.000 0 0.0 0.0 0.0 - - - C2H2 + CH3 = CH3CHCH 3.2E35 -7.760 13300 0.0 0.0 0.0 - - CH3CHCH + H = CH2CHCH2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHCH + H = H3CCCH + H2 2.0E13 0.000 0 0.0 0.0 0.0 - CH3CHCH + O = CH3CHCO + H 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHCH + OH = H3CCCH + H2O 1.0E13 0.000 0 0.0 0.0 0.0 - CH3CHCH + O2 = CH3CHO + HCO 1.2E23 -3.290 3892 0.0 0.0 0.0 - CH3CHCH + O2 = CH3CHCO + H + O 1.6E15 -0.780 3135 0.0 0.0 0.0 - - - C2H2 + CH3 = CH3CCH2 5.0E22 -4.390 18850 0.0 0.0 0.0 - - CH3CCH2 + H = CH2CHCH2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CCH2 + H = H3CCCH + H2 4.0E13 0.000 0 0.0 0.0 0.0 - CH3CCH2 + O = CH2CO + CH3 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CCH2 + OH = H3CCCH + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - CH3CCH2 + O2 = CH3CO + CH2O 1.2E22 -3.290 3892 0.0 0.0 0.0 - CH3CCH2 + CH3 = H3CCCH + CH4 1.0E11 0.000 0 0.0 0.0 0.0 - - C2H4 + CH2(S) = CH2CHCH2 + H 1.3E14 0.000 0 0.0 0.0 0.0 - - C2H3 + CH3 = CH2CHCH2 + H 4.7E02 3.700 5677 0.0 0.0 0.0 - - C2H2 + CH3 = CH2CHCH2 2.7E53 -12.820 35730 0.0 0.0 0.0 - - - CH2CHCH2 + H = H2CCCH2 + H2 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + O = CH2CHCHO + H 1.8E14 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + OH = H2CCCH2 + H2O 1.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + HO2 = CH2CHCHO + H + OH 1.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + O2 = H2CCCH2 + HO2 5.0E15 -1.400 22428 0.0 0.0 0.0 - CH2CHCH2 + O2 = CH2CHO + CH2O 1.1E10 0.340 12840 0.0 0.0 0.0 - CH2CHCH2 + O2 = C2H2 + CH2O + OH 2.8E25 -4.800 15468 0.0 0.0 0.0 - CH2CHCH2 + O2 = CH2CHCHO + OH 1.8E13 -0.410 22860 0.0 0.0 0.0 - CH2CHCH2 + CH3 = H2CCCH2 + CH4 3.0E12 -0.300 -131 0.0 0.0 0.0 - - - C2H3 + CH2 = H2CCCH2 + H 3.0E13 0.000 0 0.0 0.0 0.0 - - C2H2 + CH3 = H2CCCH2 + H 5.1E09 0.86 22153 0.0 0.0 0.0 - - H2CCCH2 = H3CCCH 2.2E14 0.000 68100 0.0 0.0 0.0 - H2CCCH2 + H = H3CCCH + H 1.0E13 0.000 5000 0.0 0.0 0.0 - H2CCCH2 + H = H2CCCH + H2 3.0E07 2.000 5000 0.0 0.0 0.0 -// The rates for aC3H4 + H -> products are from doi:10.1021/jp982762a -// and are for 0.1 bar; that reference also has data at higher pressures -// These reactions also have Troe expressions in the other file, whose low-P -// limit values are similar to these; therefore we will keep those and omit these -// H2CCCH2 + H = CH3CHCH 1.1E30 -6.52 15200 0.0 0.0 0.0 -// H2CCCH2 + H = CH3CCH2 9.2E38 -8.65 7000 0.0 0.0 0.0 -// H2CCCH2 + H = CH2CHCH2 9.6E61 -14.67 26000 0.0 0.0 0.0 - H2CCCH2 + O = C2H4 + CO 2.0E07 1.800 1000 0.0 0.0 0.0 - H2CCCH2 + OH = H2CCCH + H2O 2.0E07 2.000 1000 0.0 0.0 0.0 - H2CCCH2 + CH3 = H2CCCH + CH4 1.3E12 0.000 7700 0.0 0.0 0.0 - H2CCCH2 + C2H = C2H2 + H2CCCH 1.0E13 0.000 0 0.0 0.0 0.0 - C2H2 + CH3 = H3CCCH + H 2.6E09 1.100 13644 0.0 0.0 0.0 - H3CCCH + H = H2CCCH + H2 3.0E07 2.000 5000 0.0 0.0 0 - H3CCCH + O = HCCO + CH3 2.0E13 0.000 2250 0.0 0.0 0.0 - H3CCCH + O = C2H4 + CO 5.8E12 0.000 2250 0.0 0.0 0.0 - H3CCCH + OH = H2CCCH + H2O 2.0E07 2.000 1000 0.0 0.0 0.0 - H3CCCH + O2 => CH3 + HCO + CO 4.0E14 0.000 41900 0.0 0.0 0.0 - H3CCCH + CH3 = H2CCCH + CH4 1.8E12 0.000 7700 0.0 0.0 0.0 - H3CCCH + C2H = C2H2 + H2CCCH 1.0E13 0.000 0 0.0 0.0 0.0 - - // cC3H4 = H2CCCH2 1.5E14 0.000 50450 0.0 0.0 0.0 - //cC3H4 = H3CCCH 1.2E15 0.000 43730 0.0 0.0 0.0 - - C2H2 + CH2 = H2CCCH + H 1.2E13 0.000 6621 0.0 0.0 0.0 - C2H2 + CH2(S) = H2CCCH + H 1.8E14 0.000 0 0.0 0.0 0.0 - C2H2 + HCCO = H2CCCH + CO 1.0E11 0.000 3000 0.0 0.0 0.0 - C2H3 + C2H3 = H2CCCH + CH3 1.8E13 0.000 0 0.0 0.0 0.0 - H2CCCH = C3H2 + H 5.2E12 0.000 78447 0.0 0.0 0.0 - - - - - H2CCCH + H = C3H2 + H2 5.0E13 0.000 1000 0.0 0.0 0.0 - H2CCCH + O = CH2O + C2H 1.4E14 0.000 0 0.0 0.0 0.0 - H2CCCH + OH = C3H2 + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - H2CCCH + OH = CH2O + C2H2 2.0E13 0.000 0 0.0 0.0 0.0 - - - H2CCCH + OH = C2H3 + HCO 2.0E13 0.000 0 0.0 0.0 0.0 - - H2CCCH + HO2 = H2CCCH2 + O2 3.0E11 0.000 0 0.0 0.0 0.0 - H2CCCH + HO2 = H3CCCH + O2 3.0E11 0.000 0 0.0 0.0 0.0 - H2CCCH + O2 = CH2CO + HCO 1.7E05 1.70 1500 0.0 0.0 0.0 - H2CCCH + HCO = H2CCCH2 + CO 2.5E13 0.000 0 0.0 0.0 0.0 - H2CCCH + HCO = H3CCCH + CO 2.5E13 0.000 0 0.0 0.0 0.0 -// C3H2 + H = C3H + H2 1.0E13 0.000 0 0.0 0.0 0.0 -// C2H2 + CH = C3H2 + H 2.1E14 0.000 -121 0.0 0.0 0.0 - C3H2 + O = C2H2 + CO 1.0E14 0.000 0 0.0 0.0 0.0 - C3H2 + OH = C2H2 + HCO 5.0E13 0.000 0 0.0 0.0 0.0 - C3H2 + O2 = HCCO + CO + H 2.0E12 0.000 1000 0.0 0.0 0.0 - - - - - - - - - - - - - - diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C3/readme.txt b/output/RMG_database/kinetics_libraries/Glarborg/C3/readme.txt deleted file mode 100644 index 9e62be12db..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C3/readme.txt +++ /dev/null @@ -1,4 +0,0 @@ -bla: original reactions list -new_file: original reactions list with spaced formatting -new_file.txt.new: truncated reactions list modified from new_file -reactions.txt: same as new_file.txt.new but for RMG \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C3/scrap.py b/output/RMG_database/kinetics_libraries/Glarborg/C3/scrap.py deleted file mode 100755 index eed523ab1d..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C3/scrap.py +++ /dev/null @@ -1,41 +0,0 @@ -#! /usr/bin/env python -import re, os -import getopt, sys, subprocess -import shutil - - -# defaults -settings=dict(nproc=2, memory='500MB') - -try: - opts, args = getopt.getopt(sys.argv[1:], "hvn:st:", ["help", "nproc=", "saveonly", "template="]) -except getopt.GetoptError, err: - # print help information and exit: - print str(err) # will print something like "option -a not recognized" - usage() - sys.exit(2) - - # OK, now we get to the part where I know what's going on. - # for each file supplied at the command line, do the following - -searchExpression1=re.compile(" ! ") -searchExpression2=re.compile(" !") -for filename in args: - - (fileroot,filextension) = os.path.splitext(filename) - - print fileroot - - fin=open(filename,'r') - com=fin.read() - fin.close - - replaceme = ('DUPLICATE') #RAS07 ING/BOZ03 - - - com = com.replace(replaceme, ' // DUPLICATE ') - - name = filename - fout=open(name,'w') - fout.write(com) - fout.close diff --git a/output/RMG_database/kinetics_libraries/Glarborg/C3/species.txt b/output/RMG_database/kinetics_libraries/Glarborg/C3/species.txt deleted file mode 100755 index 362a74c804..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/C3/species.txt +++ /dev/null @@ -1,373 +0,0 @@ -/// H,O species - -H -1 H 1 - - -O -1 O 2T - -OH -1 O 1 {2,S} -2 H 0 {1,S} - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - - -HO2 -1 O 0 {2,S} {3,S} -2 O 1 {1,S} -3 H 0 {1,S} - -H2O -1 O 0 {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -H2O2 -1 O 0 {2,S} -2 O 0 {1,S} - -// CO species - -CO -1 C 2T {2,D} -2 O 0 {1,D} - -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -HOCO -1 C 1 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} - -// C1 species - -CH4 -1 C 0 - -CH3 -1 C 1 - - -CH2 -1 C 2T - -CH2(S) -1 C 2S - - -//CH -//1 C 3 - -//C -//1 C 4 - -//---------------------- - -CH3OH -1 C 0 {2,S} -2 O 0 {1,S} - -CH3O -1 O 1 {2,S} -2 C 0 {1,S} - - -CH2OH -1 C 1 {2,S} -2 O 0 {1,S} - -CH2O -1 C 0 {2,D} -2 O 0 {1,D} - -HCO -1 C 1 {2,D} -2 O 0 {1,D} - -//----------------------- - -CH3OOH -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} - -CH3OO -1 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} - -//CH2OOH -//1 C 1 {2,S} -//2 O 0 {1,S} {3,S} -//3 O 0 {2,S} - - -// C2 species - -C2H6 -1 C 0 {2,S} -2 C 0 {1,S} - - -C2H5 -1 C 1 {2,S} -2 C 0 {1,S} - -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - -C2H3 -1 C 1 {2,D} -2 C 0 {1,D} - - -C2H2 -1 C 0 {2,T} -2 C 0 {1,T} - -H2CC -1 C 2 {2,D} -2 C 0 {1,D} - -C2H -1 C 1 {2,T} -2 C 0 {1,T} - -C2 -1 C 1 {2,T} -2 C 1 {1,T} - -//---------------------------- - -CH3CH2OH -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} - -CH3CH2O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 1 {2,S} - -CH3CHOH -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 O 0 {2,S} - -CH2CH2OH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} - -CH3CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -cC2H4O -1 C 0 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 O 0 {1,S} {2,S} - - -//-------------------- - -CH2CHOH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} - -CHCHOH -1 C 1 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} - -cC2H3O -1 C 1 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 O 0 {1,S} {2,S} - -HCCOH -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 O 0 {2,S} - -CH3CO -1 C 0 {2,S} -2 C 1 {1,S} {3,D} -3 O 0 {2,D} - -CH2CHO -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -CH2CO -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -HCCO -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -C2O -1 C 2T {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -OCHCHO -1 O 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -// ---------------------- - -CH3CH2OOH -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -CH3CH2OO -1 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - - -//CH3CHOOH -//1 O 0 {2,S} -//2 O 0 {1,S} {3,S} -//3 C 1 {2,S} {4,S} -//4 C 0 {3,S} - - -CH2CH2OOH -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} - -CH2CHOOH -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - -CH2CHOO -1 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - -// what is this?!? -//CYCOOC. - -//HOCH2CH2OO -//1 O 1 {2,S} -//2 O 0 {1,S} {3,S} -//3 C 0 {2,S} {4,S} -//4 C 0 {3,S} {5,S} -//5 O 0 {4,S} - -// ------------ - -C3H6 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} - -CH2CHCH2 -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} - -CH3CCH2 -1 C 0 {2,D} -2 C 1 {1,D} {3,S} -3 C 0 {2,S} - -CH3CHCH -1 C 1 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} - -H2CCCH2 -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} - -H3CCCH -1 C 0 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} - -//cC3H4 -//1 C 0 {2,S} {3,S} -//2 C 0 {1,S} {3,D} -//3 C 0 {1,S} {2,D} - -H2CCCH -1 C 1 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} - -C3H2 -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 C 1 {2,D} - -//C3H -//1 C 1 {2,D} {3,S} -//2 C 0 {1,D} {3,D} -//3 C 0 {1,S} {2,D} - -// ------------------------- - -C2H5CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - - -C2H5CO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} - - -CH2CHCHO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -CH3CHCO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,D} -4 O 0 {3,D} - -CH2CHCO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} - diff --git a/output/RMG_database/kinetics_libraries/Glarborg/highP/pdepreactions.txt b/output/RMG_database/kinetics_libraries/Glarborg/highP/pdepreactions.txt deleted file mode 100644 index 8bba057ac6..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/highP/pdepreactions.txt +++ /dev/null @@ -1,10 +0,0 @@ -// - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - -// This library is for high-pressure limit rate expressions only. -// It's intended for use as a reaction library - to provide input to the PDep calculations. \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/Glarborg/highP/reactions.txt b/output/RMG_database/kinetics_libraries/Glarborg/highP/reactions.txt deleted file mode 100644 index cb3b1a8151..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/highP/reactions.txt +++ /dev/null @@ -1,841 +0,0 @@ -// CFG - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - - - -// Glarborg, -// -// ***************************************************************************** -// H2/O2 subset * -// ***************************************************************************** -// - - H + O2 = O + OH 3.6E15 -0.410 16600 0.0 0.0 0.0 - - H + H + H2 = H2 + H2 1.0E17 -0.600 0 0.0 0.0 0.0 - H + H + H2O = H2 + H2O 1.0E19 -1.000 0 0.0 0.0 0.0 - - O + H2 = OH + H 3.8E12 0.000 7948 0.0 0.0 0.0 - DUPLICATE - O + H2 = OH + H 8.8E14 0.000 19175 0.0 0.0 0.0 - DUPLICATE - - OH + OH = O + H2O 4.3E03 2.700 -1822 0.0 0.0 0.0 - - - OH + H2 = H + H2O 2.1E08 1.520 3449 0.0 0.0 0.0 - H2 + O2 = HO2 + H 7.4E05 2.433 53502 0.0 0.0 0.0 - HO2 + H = OH + OH 8.4E13 0.000 400 0.0 0.0 0.0 - HO2 + H = H2O + O 1.4E12 0.000 0 0.0 0.0 0.0 - HO2 + O = OH + O2 1.6E13 0.000 -445 0.0 0.0 0.0 - -// These three add up to give Glarborg's preferred rate, but the third of them -// has a negative A which RMG does not like: - // HO2 + OH = H2O + O2 3.6E21 -2.100 9000 0.0 0.0 0.0 - // // DUPLICATE - // HO2 + OH = H2O + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - // // DUPLICATE - // HO2 + OH = H2O + O2 -2.2E96 -24.000 49000 0.0 0.0 0.0 - // // DUPLICATE -// Instead here is a rate from Baulch et al JPCRF 1994 as reported by -// http://kinetics.nist.gov/kinetics/Detail?id=1994BAU/COB847-1033:91 -// although the valid temperature range is not very large... - HO2 + OH = H2O + O2 2.89E13 0.000 -497 *1.58 0.0 0.0 - - HO2 + HO2 = H2O2 + O2 1.9E11 0.000 -1408 0.0 0.0 0.0 - DUPLICATE - HO2 + HO2 = H2O2 + O2 1.0E14 0.000 11034 0.0 0.0 0.0 - DUPLICATE - - H2O2 + H = H2O + OH 1.0E13 0.000 3580 0.0 0.0 0.0 - H2O2 + H = HO2 + H2 1.7E12 0.000 3760 0.0 0.0 0.0 - H2O2 + O = HO2 + OH 9.6E06 2.000 3970 0.0 0.0 0.0 - - H2O2 + OH = H2O + HO2 1.9E12 0.000 427 0.0 0.0 0.0 - DUPLICATE - H2O2 + OH = H2O + HO2 1.6E18 0.000 29410 0.0 0.0 0.0 - DUPLICATE - -// -// ***************************************************************************** -// CO/CO2 subset * -// ***************************************************************************** -// - - CO + O2 = CO2 + O 4.7E12 0.000 60500 0.0 0.0 0.0 - CO + HO2 = CO2 + OH 1.6E05 2.180 17943 0.0 0.0 0.0 - - -//CO + OH = CO2 + H well-skipping reaction - does not occur in high pressure limit - -// Glarborg's 2000 bar rate: - CO + OH = HOCO 5.5E44 -11.000 7948 0.0 0.0 0.0 - DUPLICATE - CO + OH = HOCO 2.7E67 -17.000 22851 0.0 0.0 0.0 - DUPLICATE - CO + OH = HOCO 1.0E74 -18.000 37157 0.0 0.0 0.0 - DUPLICATE - // Glarborg's 100 bar rate: - HOCO = CO2 + H 2.8E58 -15.000 46500 0.0 0.0 0.0 - DUPLICATE - HOCO = CO2 + H 2.0E71 -18.000 60000 0.0 0.0 0.0 - DUPLICATE - - HOCO + OH = CO2 + H2O 4.6E12 0.000 -89 0.0 0.0 0.0 - DUPLICATE - HOCO + OH = CO2 + H2O 9.5E06 2.000 -89 0.0 0.0 0.0 - DUPLICATE - - HOCO + OH = CO + H2O2 1.0E13 0.000 0 0.0 0.0 0.0 - HOCO + O2 = CO2 + HO2 9.9E11 0.000 0 0.0 0.0 0.0 -// -// ***************************************************************************** -// CH2O subset * -// ***************************************************************************** -// - - CH2O + H = HCO + H2 4.1E08 1.470 2444 0.0 0.0 0.0 - CH2O + O = HCO + OH 4.2E11 0.570 2760 0.0 0.0 0.0 - CH2O + O2 = HCO + HO2 2.4E05 2.500 36461 0.0 0.0 0.0 - -//SCRATCH: RMG doesn't like this rate; cfg replaced it with baulch - CH2O + OH = HCO + H2O 7.8E07 1.630 -1055 0.0 0.0 0.0 -//CH2O + OH = HCO + H2O 4.9E12 0.0 -79.5 0.0 0.0 0.0 - CH2O + HO2 = HCO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - CH2O + CH3 = HCO + CH4 3.2E01 3.360 4310 0.0 0.0 0.0 - -// 100 bar - HCO = H + CO 5.3E13 -0.865 16755 0.0 0.0 0.0 - - HCO + H = CO + H2 1.1E14 0.000 0 0.0 0.0 0.0 - HCO + O = CO + OH 3.0E13 0.000 0 0.0 0.0 0.0 - HCO + O = CO2 + H 3.0E13 0.000 0 0.0 0.0 0.0 - HCO + OH = CO + H2O 1.1E14 0.000 0 0.0 0.0 0.0 - HCO + O2 = CO + HO2 3.4E12 0.000 0 0.0 0.0 0.0 - HCO + HO2 = CO2 + OH + H 3.0E13 0.000 0 0.0 0.0 0.0 - HCO + HCO = CO + CH2O 2.7E13 0.000 0 0.0 0.0 0.0 - -// -// ***************************************************************************** -// CH4 subset * -// ***************************************************************************** -// - - CH4 + H = CH3 + H2 4.1E03 3.156 8755 0.0 0.0 0.0 - CH4 + O = CH3 + OH 4.4E05 2.500 6577 0.0 0.0 0.0 - CH4 + OH = CH3 + H2O 1.0E06 2.182 2506 0.0 0.0 0.0 - CH4 + HO2 = CH3 + H2O2 4.7E04 2.500 21000 0.0 0.0 0.0 -//CH4 + O2 = CH3 + HO2 see reverse - CH4 + CH2 = CH3 + CH3 4.3E12 0.000 10030 0.0 0.0 0.0 - CH4 + CH2(S) = CH3 + CH3 4.3E13 0.000 0 0.0 0.0 0.0 - - - CH3 + H = CH2 + H2 9.0E13 0.000 15100 0.0 0.0 0.0 - CH2(S) + H2 = CH3 + H 7.2E13 0.000 0 0.0 0.0 0.0 - CH3 + O = CH2O + H 6.9E13 0.000 0 0.0 0.0 0.0 - CH3 + O = H2 + CO + H 1.5E13 0.000 0 0.0 0.0 0.0 - CH3 + OH = CH2 + H2O 1.1E03 3.000 2780 0.0 0.0 0.0 - CH2(S) + H2O = CH3 + OH 3.0E15 -0.600 0 0.0 0.0 0.0 - - - CH3 + HO2 = CH4 + O2 1.2E05 2.228 -3020 0.0 0.0 0.0 -// RMG dislikes! replaced with Jasper -//CH3 + HO2 = CH4 + O2 2.5E08 1.250 -1630 0.0 0.0 0.0 -//CH3 + HO2 = CH4 + O2 1.8E03 2.830 -3730 0.0 0.0 0.0 - -// replace with Jasper -CH3 + HO2 = CH3O + OH 1.0E12 0.2688 -687.5 0.0 0.0 0.0 -// CH3 + HO2 = CH3O + OH 2.0E13 0.000 1075 0.0 0.0 0.0 - CH3 + O2 = CH3O + O 7.5E12 0.000 28297 0.0 0.0 0.0 - CH3 + O2 = CH2O + OH 1.9E11 0.000 9842 0.0 0.0 0.0 - -// fit to FER/TRO06 (100bar) - CH3 + O2 = CH3OO 1.1E19 -2.300 1800 0.0 0.0 0.0 - DUPLICATE - CH3 + O2 = CH3OO 4.1E30 -5.700 8750 0.0 0.0 0.0 - DUPLICATE - - - CH3 + HCO = CH4 + CO 2.8E13 0.000 0 0.0 0.0 0.0 - CH3 + CH3 = C2H5 + H 5.4E13 0.000 16055 0.0 0.0 0.0 - - -// CH2 + H = CH + H2 1.0E18 -1.560 0 0.0 0.0 0.0 - CH2 + O = CO + H + H 5.0E13 0.000 0 0.0 0.0 0.0 - CH2 + O = CO + H2 3.0E13 0.000 0 0.0 0.0 0.0 - CH2 + OH = CH2O + H 3.0E13 0.000 0 0.0 0.0 0.0 -// CH2 + OH = CH + H2O 1.1E07 2.000 3000 0.0 0.0 0.0 - CH2 + O2 = CO + H2O 2.2E22 -3.300 2867 0.0 0.0 0.0 - CH2 + O2 = CO2 + H + H 3.3E21 -3.300 2867 0.0 0.0 0.0 - CH2 + O2 = CH2O + O 3.3E21 -3.300 2867 0.0 0.0 0.0 - CH2 + O2 = CO2 + H2 2.6E21 -3.300 2867 0.0 0.0 0.0 - CH2 + O2 = CO + OH + H 1.6E21 -3.300 2867 0.0 0.0 0.0 - CH2 + CO2 = CO + CH2O 1.0E11 0.000 1000 0.0 0.0 0.0 - - - CH2(S) + H = CH2 + H 2.0E14 0.000 0 0.0 0.0 0.0 -// CH2(S) + H = CH + H2 3.0E13 0.000 0 0.0 0.0 0.0 - CH2(S) + O = CO + H + H 3.0E13 0.000 0 0.0 0.0 0.0 - CH2(S) + OH = CH2O + H 3.0E13 0.000 0 0.0 0.0 0.0 - CH2(S) + O2 = CO + OH + H 7.0E13 0.000 0 0.0 0.0 0.0 - CH2(S) + H2O = CH2 + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH2(S) + CO2 = CH2O + CO 1.1E13 0.000 0 0.0 0.0 0.0 -// CH + H = C + H2 1.5E14 0.000 0 0.0 0.0 0.0 -// CH + O = CO + H 5.7E13 0.000 0 0.0 0.0 0.0 -// CH + OH = HCO + H 3.0E13 0.000 0 0.0 0.0 0.0 -// CH + OH = C + H2O 4.0E07 2.000 3000 0.0 0.0 0.0 -// CH + O2 = HCO + O 3.3E13 0.000 0 0.0 0.0 0.0 -// CH + H2O = CH2O + H 5.7E12 0.000 -755 0.0 0.0 0.0 -// CH + CO2 = HCO + CO 8.8E06 1.750 -1040 0.0 0.0 0.0 -// C + OH = CO + H 5.0E13 0.000 0 0.0 0.0 0.0 -// C + O2 = CO + O 2.0E13 0.000 0 0.0 0.0 0.0 - - - CH3OH + H = CH2OH + H2 2.9E09 1.240 4491 0.0 0.0 0.0 - CH3OH + H = CH3O + H2 5.1E08 1.240 4491 0.0 0.0 0.0 - CH3OH + O = CH2OH + OH 2.1E13 0.000 5305 0.0 0.0 0.0 - CH3OH + O = CH3O + OH 3.7E12 0.000 5305 0.0 0.0 0.0 - CH3OH + OH = CH2OH + H2O 1.5E08 1.4434 113 0.0 0.0 0.0 - CH3OH + OH = CH3O + H2O 2.7E07 1.4434 113 0.0 0.0 0.0 - CH3OH + HO2 = CH2OH + H2O2 2.0E13 0.000 15000 0.0 0.0 0.0 - CH3OH + O2 = CH2OH + HO2 6.0E13 0.000 46600 0.0 0.0 0.0 - CH3OH + O2 = CH3O + HO2 6.0E13 0.000 54800 0.0 0.0 0.0 - - - CH2OH + H = CH2O + H2 1.4E13 0.000 0 0.0 0.0 0.0 - CH2OH + H = CH3 + OH 6.0E12 0.000 0 0.0 0.0 0.0 - - - CH2OH + O = CH2O + OH 6.6E13 0.000 -693 0.0 0.0 0.0 - CH2OH + OH = CH2O + H2O 2.4E13 0.000 0 0.0 0.0 0.0 - CH2OH + HO2 = CH2O + H2O2 1.2E13 0.000 0 0.0 0.0 0.0 - - CH2OH + O2 = CH2O + HO2 7.2E13 0.000 3736 0.0 0.0 0.0 - DUPLICATE - CH2OH + O2 = CH2O + HO2 2.9E16 -1.500 0 0.0 0.0 0.0 - DUPLICATE - - CH2OH + HCO = CH3OH + CO 1.0E13 0.000 0 0.0 0.0 0.0 - CH2OH + HCO = CH2O + CH2O 1.5E13 0.000 0 0.0 0.0 0.0 - CH2OH + CH2O = CH3OH + HCO 5.5E03 2.810 5862 0.0 0.0 0.0 - CH2OH + CH2OH = CH3OH + CH2O 4.8E12 0.000 0 0.0 0.0 0.0 - CH2OH + CH3O = CH3OH + CH2O 2.4E12 0.000 0 0.0 0.0 0.0 - CH2OH + CH4 = CH3OH + CH3 2.2E01 3.100 16227 0.0 0.0 0.0 - - - CH3O + H = CH2O + H2 5.3E13 0.000 745 0.0 0.0 0.0 - CH3O + H = CH3 + OH 4.6E12 0.000 745 0.0 0.0 0.0 - - - CH3O + O = CH2O + OH 3.8E12 0.000 0 0.0 0.0 0.0 - CH3O + OH = CH2O + H2O 1.8E13 0.000 0 0.0 0.0 0.0 - CH3O + HO2 = CH2O + H2O2 3.0E11 0.000 0 0.0 0.0 0.0 - CH3O + O2 = CH2O + HO2 2.2E10 0.000 1749 0.0 0.0 0.0 - CH3O + CO = CH3 + CO2 9.5E25 -4.930 9080 0.0 0.0 0.0 - CH3O + CH3 = CH2O + CH4 2.4E13 0.000 0 0.0 0.0 0.0 - CH3O + CH4 = CH3OH + CH3 1.3E14 0.000 15073 0.0 0.0 0.0 - CH3O + CH2O = CH3OH + HCO 1.0E11 0.000 2981 0.0 0.0 0.0 - - CH3O + CH3O = CH3OH + CH2O 6.0E13 0.000 0 0.0 0.0 0.0 - -// (high P limit) - CH3OOH = CH3O + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - - - CH3OOH + H = CH2O + OH + H2 5.4E10 0.000 1860 0.0 0.0 0.0 - CH3OOH + H = CH3OO + H2 5.4E10 0.000 1860 0.0 0.0 0.0 - CH3OOH + H = CH3O + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH3OOH + O = CH2O + OH + OH 1.6E13 0.000 4750 0.0 0.0 0.0 - CH3OOH + O = CH3OO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH3OOH + OH = CH3OO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH3OOH + OH = CH2O + OH + H2O 7.2E11 0.000 -258 0.0 0.0 0.0 - CH3OOH + HO2 = CH3OO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - - CH3OO + H = CH3O + OH 1.0E14 0.000 0 0.0 0.0 0.0 - CH3OO + O = CH3O + O2 1.6E13 0.000 -445 0.0 0.0 0.0 - CH3OO + OH = CH3OH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH3OO + OH = CH3O + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH3OO + HO2 = CH3OOH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 - CH3OO + CH3 = CH3O + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3OO + CH4 = CH3OOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH3OO + HCO = CH3O + H + CO2 3.0E13 0.000 0 0.0 0.0 0.0 - CH3OO + CO = CH3O + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH3OO + CH2O = CH3OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH3OO + CH3O = CH2O + CH3OOH 3.0E11 0.000 0 0.0 0.0 0.0 - CH3OO + CH3OH = CH3OOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH3OO + CH3OO = CH3O + CH3O + O2 1.1E18 -2.400 1800 0.0 0.0 0.0 - DUPLICATE - CH3OO + CH3OO = CH3O + CH3O + O2 7.0E10 0.000 800 0.0 0.0 0.0 - DUPLICATE - - CH3OO + CH3OO = CH3OH + CH2O + O2 2.0E11 -0.550 -1600 0.0 0.0 0.0 - CH3OO + C2H5 = CH3O + CH3CH2O 5.1E12 0.000 -1410 0.0 0.0 0.0 - CH3OO + C2H6 = CH3OOH + C2H5 1.9E01 3.640 17100 0.0 0.0 0.0 - -// Since CFG converted all CH2OOH into CH2O + OH, this reaction is redundant. -// 100 atm -//CH2OOH => CH2O + OH 7.0E14 -1.064 1744 0.0 0.0 0.0 - - -// -// ***************************************************************************** -// C2 subset * -// ***************************************************************************** -// - - C2H6 + H = C2H5 + H2 9.8E13 0.000 9220 0.0 0.0 0.0 - C2H6 + O = C2H5 + OH 1.1E-07 6.500 274 0.0 0.0 0.0 - C2H6 + OH = C2H5 + H2O 9.2E06 2.000 990 0.0 0.0 0.0 - C2H6 + HO2 = C2H5 + H2O2 1.1E05 2.500 16850 0.0 0.0 0.0 - C2H6 + O2 = C2H5 + HO2 7.3E05 2.500 49160 0.0 0.0 0.0 - - C2H6 + CH3 = C2H5 + CH4 5.6E10 0.000 9418 0.0 0.0 0.0 - DUPLICATE - C2H6 + CH3 = C2H5 + CH4 8.4E14 0.000 22250 0.0 0.0 0.0 - DUPLICATE - - C2H6 + CH2(S) = C2H5 + CH3 1.2E14 0.000 0 0.0 0.0 0.0 - - C2H5 + O = CH3 + CH2O 4.2E13 0.000 0 0.0 0.0 0.0 - C2H5 + O = CH3CHO + H 5.3E13 0.000 0 0.0 0.0 0.0 - C2H5 + O = C2H4 + OH 3.1E13 0.000 0 0.0 0.0 0.0 - C2H5 + OH = C2H4 + H2O 2.4E13 0.000 0 0.0 0.0 0.0 - C2H5 + HO2 = CH3CH2O + OH 3.1E13 0.000 0 0.0 0.0 0.0 - - C2H5 + O2 = C2H4 + HO2 1.4E07 1.090 -1975 0.0 0.0 0.0 - - C2H5 + CH2O = C2H6 + HCO 5.5E03 2.810 5860 0.0 0.0 0.0 - C2H5 + HCO = C2H6 + CO 4.3E13 0.000 0 0.0 0.0 0.0 -//C2H5 + HCO = C2H6 + CO 1.2E14 0.000 0 0.0 0.0 0.0 - C2H5 + CH3 = C2H4 + CH4 9.0E11 0.000 0 0.0 0.0 0.0 - C2H5 + C2H5 = C2H6 + C2H4 1.5E12 0.000 0 0.0 0.0 0.0 - - C2H4 + H = C2H3 + H2 2.4E02 3.620 11266 0.0 0.0 0.0 -// CH4 + CH = C2H4 + H 3.0E13 0.000 -400 0.0 0.0 0.0 - CH3 + CH2 = C2H4 + H 4.2E13 0.000 0 0.0 0.0 0.0 - CH3 + CH2(S) = C2H4 + H 2.0E13 0.000 0 0.0 0.0 0.0 - - C2H4 + O = CH3 + HCO 3.9E12 0.000 1494 0.0 0.0 0.0 - DUPLICATE - C2H4 + O = CH3 + HCO 6.2E13 0.000 6855 0.0 0.0 0.0 - DUPLICATE - - C2H4 + O = CH2CHO + H 1.7E12 0.000 1494 0.0 0.0 0.0 - DUPLICATE - C2H4 + O = CH2CHO + H 2.8E13 0.000 6855 0.0 0.0 0.0 - DUPLICATE - -// RMG doesn't like this rate; I replaced it with NIST -// C2H4 + OH = C2H3 + H2O 1.3E-1 4.200 -860 0.0 0.0 0.0 -C2H4 + OH = C2H3 + H2O 5.4E07 1.8 4166 0.0 0.0 0.0 - -// 100 atm - C2H4 + OH = CH3 + CH2O 2.8E13 -0.500 11455 0.0 0.0 0.0 - -// 100 atm - C2H4 + OH = CH3CHO + H 6.8E09 0.810 13867 0.0 0.0 0.0 - -// 100 atm - C2H4 + OH = CH2CHOH + H 8.5E10 0.750 11491 0.0 0.0 0.0 - - -// 100 atm - C2H4 + OH = CH2CH2OH 6.0E37 -7.440 14269 0.0 0.0 0.0 - DUPLICATE - C2H4 + OH = CH2CH2OH 2.8E19 -2.410 1011 0.0 0.0 0.0 - DUPLICATE - - C2H4 + HO2 = cC2H4O + OH 2.2E12 0.000 17200 0.0 0.0 0.0 - C2H4 + O2 = C2H3 + HO2 7.1E13 0.000 60010 0.0 0.0 0.0 - C2H4 + CH3 = C2H3 + CH4 6.0E07 1.560 16630 0.0 0.0 0.0 - - C2H3 + H = C2H2 + H2 4.5E13 0.000 0 0.0 0.0 0.0 -// CH3 + CH = C2H3 + H 3.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + O = CH2CO + H 3.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + OH = C2H2 + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - - C2H3 + HO2 = CH2CHO + OH 3.0E13 0.000 0 0.0 0.0 0.0 -// PM 60 bar -// RMG dislikes; cfg replaced w mclin -// C2H3 + O2 = CH2CHOO 1.1E12 0.000 -1680 0.0 0.0 0.0 -// C.F.Goldsmith replaced the above rate expression from Glarborg with the following rate expression from -// A. M. Mebel, E. W. G. Diau, M. C. Lin, and K. Morokuma J. Am. Chem. Soc. 1996, 118, 9759-9771 http://dx.doi.org/10.1021/ja961476e - C2H3 + O2 = CH2CHOO 3.0E36 -8.0 5680 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2O + HCO 6.3E12 0.000 3130 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH2CHO + O 4.8E12 0.000 4800 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = C2H2 + HO2 7.6E11 0.000 7930 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH3O + CO 2.8E11 0.000 3130 0.0 0.0 0.0 -// PM 60 bar - C2H3 + O2 = CH3 + CO2 1.3E10 0.000 3130 0.0 0.0 0.0 - - - C2H3 + CH2O = C2H4 + HCO 5.4E03 2.810 5860 0.0 0.0 0.0 - C2H3 + HCO = C2H4 + CO 9.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + CH3 = C2H2 + CH4 2.1E13 0.000 0 0.0 0.0 0.0 -// C2H3 + CH = CH2 + C2H2 5.0E13 0.000 0 0.0 0.0 0.0 - C2H3 + C2H3 = C2H4 + C2H2 1.5E13 0.000 0 0.0 0.0 0.0 - C2H3 + C2H = C2H2 + C2H2 3.0E13 0.000 0 0.0 0.0 0.0 - -// CH3 + C = C2H2 + H 5.0E13 0.000 0 0.0 0.0 0.0 -// CH2 + CH = C2H2 + H 4.0E13 0.000 0 0.0 0.0 0.0 - CH2 + CH2 = C2H2 + H + H 3.2E13 0.000 0 0.0 0.0 0.0 -//CH2 + CH2 = C2H2 + H + H 4.0E13 0.000 0 0.0 0.0 0.0 - - C2H2 + O = HCCO + H 1.4E07 2.000 1900 0.0 0.0 0.0 - C2H2 + O = CH2 + CO 6.1E06 2.000 1900 0.0 0.0 0.0 - C2H2 + O = C2H + OH 3.2E15 -0.600 15000 0.0 0.0 0.0 - -// 100 atm - C2H2 + OH = CH3 + CO 8.3E05 1.770 4697 0.0 0.0 0.0 - - -// 100 atm - C2H2 + OH = HCCOH + H 7.3E06 1.890 13603 0.0 0.0 0.0 - - -// >>100 atm - C2H2 + OH = CHCHOH 1.1E08 1.340 332 0.0 0.0 0.0 - DUPLICATE - C2H2 + OH = CHCHOH 6.0E07 1.620 240 0.0 0.0 0.0 - DUPLICATE - -// 100 atm - C2H2 + OH = CH2CO + H 1.5E04 2.450 4477 0.0 0.0 0.0 - - C2H2 + HO2 = CH2O + HCO 3.0E12 0.000 10000 0.0 0.0 0.0 - C2H2 + HO2 = CH2CHO + O 3.0E12 0.000 10000 0.0 0.0 0.0 - C2H2 + O2 = HCO + HCO 7.0E07 1.800 30600 0.0 0.0 0.0 - C2H2 + CH2(S) = C2H2 + CH2 4.0E13 0.000 0 0.0 0.0 0.0 - - H2CC = C2H2 1.0E07 0.000 0 0.0 0.0 0.0 - H2CC + H = C2H2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - H2CC + OH = CH2CO + H 2.0E13 0.000 0 0.0 0.0 0.0 - H2CC + O2 = CH2 + CO2 1.0E13 0.000 0 0.0 0.0 0.0 - - C2 + H2 = C2H + H 4.0E05 2.40 1000 0.0 0.0 0.0 -// CH2 + C = C2H + H 5.0E13 0.000 0 0.0 0.0 0.0 -// C2H + O = CH + CO 5.0E13 0.000 0 0.0 0.0 0.0 - C2H + OH = HCCO + H 2.0E13 0.000 0 0.0 0.0 0.0 - C2H + OH = C2 + H2O 4.0E07 2.000 8000 0.0 0.0 0.0 - C2H + H2 = C2H2 + H 4.1E05 2.390 864 0.0 0.0 0.0 - C2H + O2 = CO + CO + H 4.7E13 -0.16 0 0.0 0.0 0.0 - C2H + CH4 = CH3 + C2H2 7.2E12 0.000 976 0.0 0.0 0.0 - - -// C2 + O = C + CO 1.0E14 0.000 0 0.0 0.0 0.0 - C2 + OH = C2O + H 5.0E13 0.000 0 0.0 0.0 0.0 - C2 + O2 = CO + CO 9.0E12 0.000 980 0.0 0.0 0.0 - - - CH3CH2OH + H = CH3CHOH + H2 2.6E07 1.650 2827 0.0 0.0 0.0 - CH3CH2OH + H = CH2CH2OH + H2 1.2E07 1.800 5098 0.0 0.0 0.0 - CH3CH2OH + H = CH3CH2O + H2 1.5E07 1.650 3038 0.0 0.0 0.0 - CH3CH2OH + O = CH3CHOH + OH 1.9E07 1.850 1824 0.0 0.0 0.0 - CH3CH2OH + O = CH2CH2OH + OH 9.4E07 1.700 5459 0.0 0.0 0.0 - CH3CH2OH + O = CH3CH2O + OH 1.6E07 2.000 4448 0.0 0.0 0.0 - CH3CH2OH + OH = CH3CHOH + H2O 4.6E11 0.150 0 0.0 0.0 0.0 - CH3CH2OH + OH = CH2CH2OH + H2O 1.7E11 0.270 600 0.0 0.0 0.0 - CH3CH2OH + OH = CH3CH2O + H2O 7.5E11 0.300 1634 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH3CHOH + H2O2 8.2E03 2.550 10750 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH2CH2OH + H2O2 1.2E04 2.550 15750 0.0 0.0 0.0 - CH3CH2OH + HO2 = CH3CH2O + H2O2 2.5E12 0.000 24000 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH3CHOH + CH4 7.3E02 2.990 7948 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH2CH2OH + CH4 2.2E02 3.180 9622 0.0 0.0 0.0 - CH3CH2OH + CH3 = CH3CH2O + CH4 1.5E02 2.990 7649 0.0 0.0 0.0 - - CH3CHOH + O = CH3CHO + OH 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHOH + H = CH2OH + CH3 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CHOH + H = C2H4 + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CHOH + OH = CH3CHO + H2O 5.0E12 0.000 0 0.0 0.0 0.0 - CH3CHOH + HO2 = CH3CHO + OH + OH 4.0E13 0.000 0 0.0 0.0 0.0 - - CH3CHOH + O2 = CH3CHO + HO2 8.4E15 -1.200 0 0.0 0.0 0.0 - DUPLICATE - CH3CHOH + O2 = CH3CHO + HO2 4.8E14 0.000 5017 0.0 0.0 0.0 - DUPLICATE - - CH2CH2OH = CH2CHOH + H 2.2E05 2.840 32920 0.0 0.0 0.0 - CH3CH2O = CH2CH2OH 2.8E-29 11.900 4450 0.0 0.0 0.0 - CH2CH2OH + H = CH3 + CH2OH 1.0E14 0.000 0 0.0 0.0 0.0 - - CH2CH2OH + O = CH2O + CH2OH 4.0E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + O = HOCH2CHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + OH = CH2CHOH + H2O 2.4E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + OH = HOCH2CHOH 3.3E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + HO2 = CH3CH2OH + O2 1.0E12 0.000 0 0.0 0.0 0.0 - CH2CH2OH + HO2 => CH2OH + CH2O + OH 3.0E13 0.000 0 0.0 0.0 0.0 -//CH2CH2OH + HO2 = HOCH2CH2O + OH 3.0E13 0.000 0 0.0 0.0 0.0 - CH2CH2OH + O2 = CH2CHOH + HO2 1.4E07 1.090 -1975 0.0 0.0 0.0 - - CH3CH2O = CH3CHO + H 1.3E13 0.000 20060 0.0 0.0 0.0 - CH3CH2O + H = CH3CHO + H2 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CH2O + OH = CH3CHO + H2O 3.0E13 0.000 0 0.0 0.0 0.0 - CH3CH2O + O2 = CH3CHO + HO2 1.5E10 0.000 645 0.0 0.0 0.0 - CH3CH2O + CO = C2H5 + CO2 9.5E25 -4.930 9080 0.0 0.0 0.0 - - - CH3CHO + H = CH3CO + H2 4.7E13 -0.350 3000 0.0 0.0 0.0 - CH3CHO + H = CH2CHO + H2 1.9E12 0.400 5359 0.0 0.0 0.0 - CH3CHO + O = CH3CO + OH 1.8E18 -1.900 2975 0.0 0.0 0.0 - CH3CHO + O = CH2CHO + OH 3.7E13 -0.200 3556 0.0 0.0 0.0 - CH3CHO + OH = CH3CO + H2O 2.4E11 0.300 -1000 0.0 0.0 0.0 - CH3CHO + OH = CH2CHO + H2O 3.0E13 -0.600 800 0.0 0.0 0.0 - CH3CHO + HO2 = CH3CO + H2O2 2.4E19 -2.200 14030 0.0 0.0 0.0 - CH3CHO + HO2 = CH2CHO + H2O2 2.3E11 0.400 14864 0.0 0.0 0.0 - CH3CHO + O2 = CH3CO + HO2 1.2E05 2.500 37554 0.0 0.0 0.0 - CH3CHO + CH3 = CH3CO + CH4 3.9E-07 5.800 2200 0.0 0.0 0.0 - CH3CHO + CH3 = CH2CHO + CH4 2.5E01 3.150 5727 0.0 0.0 0.0 - - cC2H4O = CH2CHO + H 1.8E13 0.200 71780 0.0 0.0 0.0 - cC2H4O = CH3 + HCO 5.6E13 0.400 61880 0.0 0.0 0.0 - cC2H4O = CH3CO + H 2.4E13 0.250 65310 0.0 0.0 0.0 - cC2H4O = CH2CO + H2 3.6E12 -0.200 63030 0.0 0.0 0.0 - cC2H4O = CH3CHO 3.2E12 -0.750 46424 0.0 0.0 0.0 - cC2H4O = C2H2 + H2O 7.6E12 0.060 69530 0.0 0.0 0.0 -//cC2H4O + H = CH3CHO + H 5.6E13 0.000 10950 0.0 0.0 0.0 - cC2H4O + H = cC2H3O + H2 2.0E13 0.000 8310 0.0 0.0 0.0 - cC2H4O + H = C2H3 + H2O 5.0E09 0.000 5000 0.0 0.0 0.0 - cC2H4O + H = C2H4 + OH 9.5E10 0.000 5000 0.0 0.0 0.0 - cC2H4O + O = cC2H3O + OH 1.9E12 0.000 5250 0.0 0.0 0.0 - cC2H4O + OH = cC2H3O + H2O 1.8E13 0.000 3610 0.0 0.0 0.0 - cC2H4O + HO2 = cC2H3O + H2O2 4.0E12 0.000 17000 0.0 0.0 0.0 - cC2H4O + O2 = cC2H3O + HO2 4.0E13 0.000 61500 0.0 0.0 0.0 - cC2H4O + CH3 = cC2H3O + CH4 1.1E12 0.000 11830 0.0 0.0 0.0 - - CH2CHOH + H = CHCHOH + H2 2.4E02 3.630 11266 0.0 0.0 0.0 - CH2CHOH + H = CH2CHO + H2 1.5E07 1.700 3000 0.0 0.0 0.0 - - CH2CHOH + O = CH2OH + HCO 3.9E12 0.000 1494 0.0 0.0 0.0 - DUPLICATE - CH2CHOH + O = CH2OH + HCO 6.2E13 0.000 6855 0.0 0.0 0.0 - DUPLICATE - - CH2CHOH + O = CH2CHO + OH 1.6E07 2.000 4400 0.0 0.0 0.0 - CH2CHOH + OH = CHCHOH + H2O 1.3E-1 4.200 -860 0.0 0.0 0.0 - CH2CHOH + OH = CH2CHO + H2O 7.5E11 0.300 1600 0.0 0.0 0.0 - CH2CHOH + O2 => CH2O + HCO + OH 3.5E07 1.800 39000 0.0 0.0 0.0 - - -// 100 atm - CHCHOH = HCCOH + H 5.5E29 -5.057 52377 0.0 0.0 0.0 - - CHCHOH + H = CH2CHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CHCHOH + O = OCHCHO + H 5.0E13 0.000 0 0.0 0.0 0.0 - CHCHOH + O2 = HCCOH + HO2 1.4E02 3.400 3700 0.0 0.0 0.0 -//#CHCHOH + O2 = OCHCHO + OH 2.5E12 0.000 0 0.0 0.0 0.0 - - cC2H3O = CH2CHO 8.7E31 -6.900 14994 0.0 0.0 0.0 - cC2H3O = CH2CO + H 5.0E13 0.000 14863 0.0 0.0 0.0 - cC2H3O = CH3 + CO 7.1E12 0.000 14280 0.0 0.0 0.0 - -// (high-PL) - CH2CHO = CH2CO + H 1.4E15 -0.150 45606 0.0 0.0 0.0 - -// (high-PL) - CH2CHO = CH3 + CO 2.9E12 0.290 40326 0.0 0.0 0.0 - - CH2CHO + H = CH3 + HCO 1.0E14 0.000 0 0.0 0.0 0.0 - CH2CHO + H = CH3CO + H 3.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + H = CH2CO + H2 2.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + O = CH2CO + OH 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + OH = CH2CO + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - CH2CHO + OH = CH2OH + HCO 1.0E13 0.000 0 0.0 0.0 0.0 - -// 100 atm - CH2CHO + O2 = CH2O + CO + OH 1.5E-10 6.690 4868 0.0 0.0 0.0 - -//#CH2CHO + O2 = OCHCHO + OH 2.2E11 0.000 1500 0.0 0.0 0.0 - CH2CHO + CH3 = C2H5 + CO + H 4.9E14 -0.500 0 0.0 0.0 0.0 - CH2CHO + HO2 = CH2O + HCO + OH 7.0E12 -0.500 0 0.0 0.0 0.0 - CH2CHO + HO2 = CH3CHO + O2 3.0E12 -0.500 0 0.0 0.0 0.0 - CH2CHO + CH2 = C2H4 + HCO 5.0E13 0.000 0 0.0 0.0 0.0 -// CH2CHO + CH = C2H3 + HCO 1.0E14 0.000 0 0.0 0.0 0.0 - -// (high-PL) - CH3CO = CH3 + CO 1.1E12 0.630 16895 0.0 0.0 0.0 - - CH2CO + H = CH3CO 2.3E08 1.610 2627 0.0 0.0 0.0 - CH3CO + H = CH3 + HCO 2.1E13 0.000 0 0.0 0.0 0.0 - CH3CO + H = CH2CO + H2 1.2E13 0.000 0 0.0 0.0 0.0 - CH3CO + O = CH3 + CO2 1.6E14 0.000 0 0.0 0.0 0.0 - CH3CO + O = CH2CO + OH 5.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + OH = CH2CO + H2O 1.2E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3OO = CH3 + CO2 + CH3O 2.4E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3 = C2H6 + CO 3.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + CH3 = CH2CO + CH4 5.3E13 0.000 0 0.0 0.0 0.0 - CH3CO + O2 = CH2O + CO + OH 1.9E12 0.000 0 0.0 0.0 0.0 - - CH2CO + H = CH3 + CO 3.3E10 0.851 2840 0.0 0.0 0.0 - CH2CO + H = HCCO + H2 3.0E07 2.000 10000 0.0 0.0 0.0 -// CH + CH2O = CH2CO + H 9.5E13 0.000 -517 0.0 0.0 0.0 - CH2CO + O = CO2 + CH2 1.8E12 0.000 1350 0.0 0.0 0.0 - CH2CO + O = HCCO + OH 2.0E07 2.000 10000 0.0 0.0 0.0 - CH2CO + OH = CH2OH + CO 1.0E12 0.000 -1013 0.0 0.0 0.0 - CH2CO + OH = CH3 + CO2 6.7E11 0.000 -1013 0.0 0.0 0.0 - CH2CO + OH = HCCO + H2O 1.0E07 2.000 3000 0.0 0.0 0.0 - CH2CO + CH2(S) = C2H4 + CO 1.6E14 0.000 0 0.0 0.0 0.0 - - HCCOH + H = HCCO + H2 3.0E07 2.000 1000 0.0 0.0 0.0 - HCCOH + O = HCCO + OH 2.0E07 2.000 1900 0.0 0.0 0.0 - HCCOH + OH = HCCO + H2O 1.0E07 2.000 1000 0.0 0.0 0.0 - - - HCCO + H = CH2(S) + CO 1.5E14 0.000 0 0.0 0.0 0.0 - HCCO + O = CO + CO + H 1.0E14 0.000 0 0.0 0.0 0.0 - HCCO + OH = HCO + HCO 1.0E13 0.000 0 0.0 0.0 0.0 - HCCO + OH = C2O + H2O 6.0E13 0.000 0 0.0 0.0 0.0 - HCCO + O2 = CO2 + CO + H 4.9E12 -0.142 1150 0.0 0.0 0.0 - HCCO + O2 = CO + CO + OH 1.6E11 -0.020 1020 0.0 0.0 0.0 - HCCO + O2 = HCO + CO + O 2.2E02 2.690 3540 0.0 0.0 0.0 - HCCO + CH2 = C2H3 + CO 3.0E13 0.000 0 0.0 0.0 0.0 -// HCCO + CH = C2H2 + CO 5.0E13 0.000 0 0.0 0.0 0.0 - HCCO + HCCO = C2H2 + CO + CO 1.0E13 0.000 0 0.0 0.0 0.0 - - - -// C2O + H = CH + CO 1.3E13 0.000 0 0.0 0.0 0.0 - C2O + O = CO + CO 5.2E13 0.000 0 0.0 0.0 0.0 - C2O + OH = CO + CO + H 2.0E13 0.000 0 0.0 0.0 0.0 - C2O + O2 = CO + CO + O 1.0E13 0.000 2600 0.0 0.0 0.0 - C2O + O2 = CO + CO2 1.0E13 0.000 2600 0.0 0.0 0.0 - -// C2O + C = CO + C2 1.0E14 0.000 0 0.0 0.0 0.0 - - -// ( = CH3OOH = CH3O + OH[ZHU/LIN01b],high P limit) - CH3CH2OOH = CH3CH2O + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - - CH3CH2OOH + H = CH3CHO + OH + H2 6.5E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + H = CH3CH2OO + H2 4.3E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + H = CH3CH2O + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH3CH2OOH + O = CH3CHO + OH + OH 1.6E13 0.000 4750 0.0 0.0 0.0 - CH3CH2OOH + O = CH3CH2OO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH3CH2OOH + OH = CH3CHO + OH + H2O 7.2E11 0.000 -258 0.0 0.0 0.0 - CH3CH2OOH + OH = CH3CH2OO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH3CH2OOH + HO2 = CH3CH2OO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - - - CH3CH2OO + H = CH3CH2O + OH 9.6E13 0.000 0 0.0 0.0 0.0 - CH3CH2OO + O = CH3CH2O + O2 1.6E13 0.000 -145 0.0 0.0 0.0 - CH3CH2OO + OH = CH3CH2OH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH3CH2OO + OH = CH3CH2O + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH3CH2OO + HO2 = CH3CH2OOH + O2 4.5E11 0.000 -1391 0.0 0.0 0.0 - CH3CH2OO + CO = CH3CH2O + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH3CH2OO + CH3 = CH3CH2O + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3CH2OO + CH4 = CH3CH2OOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH3CH2OO + CH3OH = CH3CH2OOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH3CH2OO + CH2O = CH3CH2OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH3CH2OO + C2H5 = CH3CH2O + CH3CH2O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH3CH2OO + C2H6 = CH3CH2OOH + C2H5 8.6E00 3.760 17200 0.0 0.0 0.0 - CH3CH2OO + CH3CHO = CH3CH2OOH + CH3CO 2.4E19 -2.200 14030 0.0 0.0 0.0 - CH3CH2OO + CH3CHO = CH3CH2OOH + CH2CHO 2.3E11 0.400 14864 0.0 0.0 0.0 - CH3CH2OO + CH3CH2OO = CH3CH2O + CH3CH2O + O2 2.9E11 -0.270 408 0.0 0.0 0.0 - CH3CH2OO + CH3CH2OO = CH3CHO + CH3CH2OH + O2 4.3E09 0.000 -850 0.0 0.0 0.0 - - -// 100 atm -// CH3CHOOH = CH3CHO + OH 5.8E14 -1.012 1068 0.0 0.0 0.0 - - CH2CH2OOH = cC2H4O + OH 1.3E10 0.720 15380 0.0 0.0 0.0 - CH2CH2OOH = CH3CH2OO 1.2E07 1.040 17980 0.0 0.0 0.0 - CH2CH2OOH = C2H4 + HO2 1.3E11 0.520 16150 0.0 0.0 0.0 - - -// est = CH3OOH = CH3O + OH,high P limit) - CH2CHOOH = CH2CHO + OH 2.2E17 -0.420 44622 0.0 0.0 0.0 - - CH2CHOOH + H = CH2CHOO + H2 4.3E10 0.000 1860 0.0 0.0 0.0 - CH2CHOOH + H = CH2CHO + H2O 1.2E10 0.000 1860 0.0 0.0 0.0 - CH2CHOOH + O = CH2CHOO + OH 8.7E12 0.000 4750 0.0 0.0 0.0 - CH2CHOOH + OH = CH2CHOO + H2O 1.1E12 0.000 -437 0.0 0.0 0.0 - CH2CHOOH + HO2 = CH2CHOO + H2O2 4.1E04 2.500 10206 0.0 0.0 0.0 - -// 100 atm - CH2CHOO = C2H2 + HO2 9.6E48 -8.868 110591 0.0 0.0 0.0 -// 100 atm - CH2CHOO = CH2O + HCO 3.1E47 -8.701 111046 0.0 0.0 0.0 -// 60atm, 6-900K fit -// CH2CHOO = CYCOOC. 3.9E09 0.000 22250 0.0 0.0 0.0 -// 100 atm -//CH2CHOO = CYCOOC. 1.1E19 -2.782 26427 0.0 0.0 0.0 - - CH2CHOO + H = CH2CHO + OH 9.6E13 0.000 0 0.0 0.0 0.0 - CH2CHOO + O = CH2CHO + O2 1.6E13 0.000 -145 0.0 0.0 0.0 - CH2CHOO + OH = CH2CHOH + O2 2.0E15 -0.600 0 0.0 0.0 0.0 - CH2CHOO + OH = CH2CHO + HO2 4.0E11 0.600 0 0.0 0.0 0.0 - CH2CHOO + HO2 = CH2CHOOH + O2 4.5E11 0.000 -1391 0.0 0.0 0.0 - CH2CHOO + CO = CH2CHO + CO2 1.6E05 2.180 17940 0.0 0.0 0.0 - CH2CHOO + CH3 = CH2CHO + CH3O 5.1E12 0.000 -1411 0.0 0.0 0.0 - CH2CHOO + CH4 = CH2CHOOH + CH3 4.7E04 2.500 21000 0.0 0.0 0.0 - CH2CHOO + CH3OH = CH2CHOOH + CH2OH 4.0E13 0.000 19400 0.0 0.0 0.0 - CH2CHOO + CH2O = CH2CHOOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 - CH2CHOO + C2H6 = CH2CHOOH + C2H5 8.6E00 3.760 17200 0.0 0.0 0.0 - -// 60atm, 6-900K fit -// CYCOOC. = CH2O + HCO 6.1E10 0.000 914 0.0 0.0 0.0 -// meohcys4e (100 atm) -// CYCOOC. = OCHCHO + H 1.6E13 -1.093 3159 0.0 0.0 0.0 - - - - OCHCHO + H = CH2O + HCO 3.0E13 0.000 0 0.0 0.0 0.0 - OCHCHO + OH = HCO + CO + H2O 6.6E12 0.000 0 0.0 0.0 0.0 - -// HOCH2CH2OO = CH2O + CH2O + OH 9.4E08 0.994 22250 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 = HOCH2CH2OOH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 => HOCH2CH2O + OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + HO2 => CH2O + CH2OH + OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -// HOCH2CH2OO + HO2 => CH2O + OH + CH2OH + O2 2.5E11 0.000 -1490 0.0 0.0 0.0 -//HOCH2CH2OO + CH2O => HOCH2CH2OOH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -//HOCH2CH2OO + CH2O => CH2O + CH2OH + OH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -// HOCH2CH2OO + CH2O => CH2O + OH + CH2OH + HCO 4.1E04 2.500 10206 0.0 0.0 0.0 -//HOCH2CH2OO + C2H4 => HOCH2CH2O + CH3CHO 2.2E12 0.000 17200 0.0 0.0 0.0 -// HOCH2CH2OO + C2H4 => CH2O + CH2OH + CH3CHO 2.2E12 0.000 17200 0.0 0.0 0.0 - - -// -// ***************************************************************************** -// C3 subset * -// ***************************************************************************** -// - - C2H5 + HCO = C2H5CHO 1.8E13 0.000 0 0.0 0.0 0.0 - C2H5 + CO = C2H5CO 1.5E11 0.000 4800 0.0 0.0 0.0 - - CH2CHO + CH3 = C2H5CHO 5.0E13 0.000 0 0.0 0.0 0.0 - - C2H5CHO + H = C2H5CO + H2 8.0E13 0.000 0 0.0 0.0 0.0 - C2H5CHO + O = C2H5CO + OH 7.8E12 0.000 1730 0.0 0.0 0.0 - C2H5CHO + OH = C2H5CO + H2O 1.2E13 0.000 0 0.0 0.0 0.0 - - - - - C3H6 = C2H2 + CH4 3.5E12 0.000 70000 0.0 0.0 0.0 - C3H6 = H2CCCH2 + H2 4.0E13 0.000 80000 0.0 0.0 0.0 - - C3H6 + H = C2H4 + CH3 7.2E12 0.000 1302 0.0 0.0 0.0 - C3H6 + H = CH2CHCH2 + H2 1.7E05 2.500 2492 0.0 0.0 0.0 - C3H6 + H = CH3CCH2 + H2 4.1E05 2.500 9794 0.0 0.0 0.0 - C3H6 + H = CH3CHCH + H2 8.0E05 2.500 12284 0.0 0.0 0.0 - C3H6 + O = C2H5 + HCO 1.6E07 1.760 -1220 0.0 0.0 0.0 - C3H6 + O = CH2CHCH2 + OH 5.2E11 0.700 5884 0.0 0.0 0.0 - C3H6 + O = CH3CHCH + OH 1.2E11 0.700 8959 0.0 0.0 0.0 - C3H6 + O = CH3CCH2 + OH 6.0E10 0.700 7632 0.0 0.0 0.0 - C3H6 + O = CH3CHCO + H + H 5.0E07 1.760 76 0.0 0.0 0.0 - C3H6 + OH = CH2CHCH2 + H2O 3.1E06 2.000 -298 0.0 0.0 0.0 - C3H6 + OH = CH3CCH2 + H2O 1.1E06 2.000 1451 0.0 0.0 0.0 - C3H6 + OH = CH3CHCH + H2O 2.1E06 2.000 2778 0.0 0.0 0.0 - C3H6 + HO2 = CH2CHCH2 + H2O2 9.6E03 2.600 13910 0.0 0.0 0.0 - - C3H6 + HCO = CH2CHCH2 + CH2O 1.1E07 1.900 17010 0.0 0.0 0.0 - C3H6 + CH3 = CH2CHCH2 + CH4 2.2E00 3.500 5675 0.0 0.0 0.0 - C3H6 + CH3 = CH3CCH2 + CH4 8.4E-1 3.500 11656 0.0 0.0 0.0 - C3H6 + CH3 = CH3CHCH + CH4 1.4E00 3.500 12848 0.0 0.0 0.0 - - CH3CHCH + H = C3H6 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CCH2 + H = C3H6 5.0E13 0.000 0 0.0 0.0 0.0 - CH3CHCH + HO2 = C3H6 + O2 2.0E12 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + HO2 = C3H6 + O2 3.0E12 0.000 0 0.0 0.0 0.0 - CH3CCH2 + HO2 = C3H6 + O2 1.0E12 0.000 0 0.0 0.0 0.0 - - CH2CHCH2 + CH2CHCH2 = C3H6 + H2CCCH2 1.0E13 0.000 0 0.0 0.0 0.0 - - - C2H2 + CH3 = CH3CHCH 3.2E35 -7.760 13300 0.0 0.0 0.0 - - CH3CHCH + H = CH2CHCH2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHCH + H = H3CCCH + H2 2.0E13 0.000 0 0.0 0.0 0.0 - CH3CHCH + O = CH3CHCO + H 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CHCH + OH = H3CCCH + H2O 1.0E13 0.000 0 0.0 0.0 0.0 - CH3CHCH + O2 = CH3CHO + HCO 1.2E23 -3.290 3892 0.0 0.0 0.0 - CH3CHCH + O2 = CH3CHCO + H + O 1.6E15 -0.780 3135 0.0 0.0 0.0 - - - C2H2 + CH3 = CH3CCH2 5.0E22 -4.390 18850 0.0 0.0 0.0 - - CH3CCH2 + H = CH2CHCH2 + H 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CCH2 + H = H3CCCH + H2 4.0E13 0.000 0 0.0 0.0 0.0 - CH3CCH2 + O = CH2CO + CH3 1.0E14 0.000 0 0.0 0.0 0.0 - CH3CCH2 + OH = H3CCCH + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - CH3CCH2 + O2 = CH3CO + CH2O 1.2E22 -3.290 3892 0.0 0.0 0.0 - CH3CCH2 + CH3 = H3CCCH + CH4 1.0E11 0.000 0 0.0 0.0 0.0 - - C2H4 + CH2(S) = CH2CHCH2 + H 1.3E14 0.000 0 0.0 0.0 0.0 - - C2H3 + CH3 = CH2CHCH2 + H 4.7E02 3.700 5677 0.0 0.0 0.0 - - C2H2 + CH3 = CH2CHCH2 2.7E53 -12.820 35730 0.0 0.0 0.0 - - - CH2CHCH2 + H = H2CCCH2 + H2 5.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + O = CH2CHCHO + H 1.8E14 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + OH = H2CCCH2 + H2O 1.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + HO2 = CH2CHCHO + H + OH 1.0E13 0.000 0 0.0 0.0 0.0 - CH2CHCH2 + O2 = H2CCCH2 + HO2 5.0E15 -1.400 22428 0.0 0.0 0.0 - CH2CHCH2 + O2 = CH2CHO + CH2O 1.1E10 0.340 12840 0.0 0.0 0.0 - CH2CHCH2 + O2 = C2H2 + CH2O + OH 2.8E25 -4.800 15468 0.0 0.0 0.0 - CH2CHCH2 + O2 = CH2CHCHO + OH 1.8E13 -0.410 22860 0.0 0.0 0.0 - CH2CHCH2 + CH3 = H2CCCH2 + CH4 3.0E12 -0.300 -131 0.0 0.0 0.0 - - - C2H3 + CH2 = H2CCCH2 + H 3.0E13 0.000 0 0.0 0.0 0.0 - - C2H2 + CH3 = H2CCCH2 + H 5.1E09 0.86 22153 0.0 0.0 0.0 - - H2CCCH2 = H3CCCH 2.2E14 0.000 68100 0.0 0.0 0.0 - H2CCCH2 + H = H3CCCH + H 1.0E13 0.000 5000 0.0 0.0 0.0 - H2CCCH2 + H = H2CCCH + H2 3.0E07 2.000 5000 0.0 0.0 0.0 - H2CCCH2 + H = CH3CHCH 1.1E30 -6.52 15200 0.0 0.0 0.0 - H2CCCH2 + H = CH3CCH2 9.2E38 -8.65 7000 0.0 0.0 0.0 - H2CCCH2 + H = CH2CHCH2 9.6E61 -14.67 26000 0.0 0.0 0.0 - H2CCCH2 + O = C2H4 + CO 2.0E07 1.800 1000 0.0 0.0 0.0 - H2CCCH2 + OH = H2CCCH + H2O 2.0E07 2.000 1000 0.0 0.0 0.0 - H2CCCH2 + CH3 = H2CCCH + CH4 1.3E12 0.000 7700 0.0 0.0 0.0 - H2CCCH2 + C2H = C2H2 + H2CCCH 1.0E13 0.000 0 0.0 0.0 0.0 - C2H2 + CH3 = H3CCCH + H 2.6E09 1.100 13644 0.0 0.0 0.0 - H3CCCH + H = H2CCCH + H2 3.0E07 2.000 5000 0.0 0.0 0.0 - - H3CCCH + O = HCCO + CH3 2.0E13 0.000 2250 0.0 0.0 0.0 - H3CCCH + O = C2H4 + CO 5.8E12 0.000 2250 0.0 0.0 0.0 - H3CCCH + OH = H2CCCH + H2O 2.0E07 2.000 1000 0.0 0.0 0.0 - H3CCCH + O2 => CH3 + HCO + CO 4.0E14 0.000 41900 0.0 0.0 0.0 - H3CCCH + CH3 = H2CCCH + CH4 1.8E12 0.000 7700 0.0 0.0 0.0 - H3CCCH + C2H = C2H2 + H2CCCH 1.0E13 0.000 0 0.0 0.0 0.0 - -// cC3H4 = H2CCCH2 1.5E14 0.000 50450 0.0 0.0 0.0 - //cC3H4 = H3CCCH 1.2E15 0.000 43730 0.0 0.0 0.0 - - C2H2 + CH2 = H2CCCH + H 1.2E13 0.000 6621 0.0 0.0 0.0 - C2H2 + CH2(S) = H2CCCH + H 1.8E14 0.000 0 0.0 0.0 0.0 - C2H2 + HCCO = H2CCCH + CO 1.0E11 0.000 3000 0.0 0.0 0.0 - C2H3 + C2H3 = H2CCCH + CH3 1.8E13 0.000 0 0.0 0.0 0.0 - H2CCCH = C3H2 + H 5.2E12 0.000 78447 0.0 0.0 0.0 - - - H2CCCH + H = C3H2 + H2 5.0E13 0.000 1000 0.0 0.0 0.0 - H2CCCH + O = CH2O + C2H 1.4E14 0.000 0 0.0 0.0 0.0 - H2CCCH + OH = C3H2 + H2O 2.0E13 0.000 0 0.0 0.0 0.0 - H2CCCH + OH = CH2O + C2H2 2.0E13 0.000 0 0.0 0.0 0.0 - - H2CCCH + OH = C2H3 + HCO 2.0E13 0.000 0 0.0 0.0 0.0 - - H2CCCH + HO2 = H2CCCH2 + O2 3.0E11 0.000 0 0.0 0.0 0.0 - H2CCCH + HO2 = H3CCCH + O2 3.0E11 0.000 0 0.0 0.0 0.0 - H2CCCH + O2 = CH2CO + HCO 1.7E05 1.70 1500 0.0 0.0 0.0 - H2CCCH + HCO = H2CCCH2 + CO 2.5E13 0.000 0 0.0 0.0 0.0 - H2CCCH + HCO = H3CCCH + CO 2.5E13 0.000 0 0.0 0.0 0.0 -// C3H2 + H = C3H + H2 1.0E13 0.000 0 0.0 0.0 0.0 -// C2H2 + CH = C3H2 + H 2.1E14 0.000 -121 0.0 0.0 0.0 - C3H2 + O = C2H2 + CO 1.0E14 0.000 0 0.0 0.0 0.0 - C3H2 + OH = C2H2 + HCO 5.0E13 0.000 0 0.0 0.0 0.0 - C3H2 + O2 = HCCO + CO + H 2.0E12 0.000 1000 0.0 0.0 0.0 diff --git a/output/RMG_database/kinetics_libraries/Glarborg/highP/readme.txt b/output/RMG_database/kinetics_libraries/Glarborg/highP/readme.txt deleted file mode 100644 index 3b9a52ef79..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/highP/readme.txt +++ /dev/null @@ -1,4 +0,0 @@ - -This library contains high pressure rate expressions from the Glarborg/C3 library. -The rates here are all for the highest reported pressure, when several -pressures were reported. This is quite often 100 bar. diff --git a/output/RMG_database/kinetics_libraries/Glarborg/highP/species.txt b/output/RMG_database/kinetics_libraries/Glarborg/highP/species.txt deleted file mode 100755 index 02e35f8594..0000000000 --- a/output/RMG_database/kinetics_libraries/Glarborg/highP/species.txt +++ /dev/null @@ -1,373 +0,0 @@ -/// H,O species - -H -1 H 1 - - -O -1 O 2T - -OH -1 O 1 {2,S} -2 H 0 {1,S} - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - - -HO2 -1 O 0 {2,S} {3,S} -2 O 1 {1,S} -3 H 0 {1,S} - -H2O -1 O 0 {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -H2O2 -1 O 0 {2,S} -2 O 0 {1,S} - -// CO species - -CO -1 C 2T {2,D} -2 O 0 {1,D} - -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -HOCO -1 C 1 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} - -// C1 species - -CH4 -1 C 0 - -CH3 -1 C 1 - - -CH2 -1 C 2T - -CH2(S) -1 C 2S - - -//CH -//1 C 3 - -//C -//1 C 4 - -//---------------------- - -CH3OH -1 C 0 {2,S} -2 O 0 {1,S} - -CH3O -1 O 1 {2,S} -2 C 0 {1,S} - - -CH2OH -1 C 1 {2,S} -2 O 0 {1,S} - -CH2O -1 C 0 {2,D} -2 O 0 {1,D} - -HCO -1 C 1 {2,D} -2 O 0 {1,D} - -//----------------------- - -CH3OOH -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} - -CH3OO -1 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} - -//CH2OOH -//1 C 1 {2,S} -//2 O 0 {1,S} {3,S} -//3 O 0 {2,S} - - -// C2 species - -C2H6 -1 C 0 {2,S} -2 C 0 {1,S} - - -C2H5 -1 C 1 {2,S} -2 C 0 {1,S} - -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - -C2H3 -1 C 1 {2,D} -2 C 0 {1,D} - - -C2H2 -1 C 0 {2,T} -2 C 0 {1,T} - -H2CC -1 C 2 {2,D} -2 C 0 {1,D} - -C2H -1 C 1 {2,T} -2 C 0 {1,T} - -C2 -1 C 1 {2,T} -2 C 1 {1,T} - -//---------------------------- - -CH3CH2OH -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} - -CH3CH2O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 1 {2,S} - -CH3CHOH -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 O 0 {2,S} - -CH2CH2OH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} - -CH3CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -cC2H4O -1 C 0 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 O 0 {1,S} {2,S} - - -//-------------------- - -CH2CHOH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} - -CHCHOH -1 C 1 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} - -cC2H3O -1 C 1 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 O 0 {1,S} {2,S} - -HCCOH -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 O 0 {2,S} - -CH3CO -1 C 0 {2,S} -2 C 1 {1,S} {3,D} -3 O 0 {2,D} - -CH2CHO -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -CH2CO -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -HCCO -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -C2O -1 C 2T {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -OCHCHO -1 O 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -// ---------------------- - -CH3CH2OOH -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -CH3CH2OO -1 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - - -//CH3CHOOH -//1 O 0 {2,S} -//2 O 0 {1,S} {3,S} -//3 C 1 {2,S} {4,S} -//4 C 0 {3,S} - - -CH2CH2OOH -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} - -CH2CHOOH -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - -CH2CHOO -1 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - -// what is this?!? -//CYCOOC. - -//HOCH2CH2OO -//1 O 1 {2,S} -//2 O 0 {1,S} {3,S} -//3 C 0 {2,S} {4,S} -//4 C 0 {3,S} {5,S} -//5 O 0 {4,S} - -// ------------ - -C3H6 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} - -CH2CHCH2 -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} - -CH3CCH2 -1 C 0 {2,D} -2 C 1 {1,D} {3,S} -3 C 0 {2,S} - -CH3CHCH -1 C 1 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} - -H2CCCH2 -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} - -H3CCCH -1 C 0 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} - -//cC3H4 -//1 C 0 {2,S} {3,S} -//2 C 0 {1,S} {3,D} -//3 C 0 {1,S} {2,D} - -H2CCCH -1 C 1 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} - -C3H2 -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 C 1 {2,D} - -//C3H -//1 C 1 {2,D} {3,S} -//2 C 0 {1,D} {3,D} -//3 C 0 {1,S} {2,D} - -// ------------------------- - -C2H5CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - - -C2H5CO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} - - -CH2CHCHO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -CH3CHCO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,D} -4 O 0 {3,D} - -CH2CHCO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} - diff --git a/output/RMG_database/kinetics_libraries/Methylformate/README.txt b/output/RMG_database/kinetics_libraries/Methylformate/README.txt deleted file mode 100644 index 9bd8f23282..0000000000 --- a/output/RMG_database/kinetics_libraries/Methylformate/README.txt +++ /dev/null @@ -1,5 +0,0 @@ -This folder contains some methylformate reactions. - -These are HIGH PRESSURE LIMIT rates (for use as a reaction library, not a seed -mechanism). Rate calculations provided by CFGoldsmith, or taken from the -literature. File compiled by RWest. \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/Methylformate/pdepreactions.txt b/output/RMG_database/kinetics_libraries/Methylformate/pdepreactions.txt deleted file mode 100644 index 8bba057ac6..0000000000 --- a/output/RMG_database/kinetics_libraries/Methylformate/pdepreactions.txt +++ /dev/null @@ -1,10 +0,0 @@ -// - -Unit: -A: mol/cm3/s -E: cal/mol - -Reactions: - -// This library is for high-pressure limit rate expressions only. -// It's intended for use as a reaction library - to provide input to the PDep calculations. \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/Methylformate/reactions.txt b/output/RMG_database/kinetics_libraries/Methylformate/reactions.txt deleted file mode 100644 index c8b7046526..0000000000 --- a/output/RMG_database/kinetics_libraries/Methylformate/reactions.txt +++ /dev/null @@ -1,45 +0,0 @@ -// Some methylformate reactions. -// These are HIGH PRESSURE LIMITS (for use as a reaction library, not a seed mechanism) -// Some rates provided by CFGold; file compiled by RWest. - -Unit: -A: mol/cm3/s -E: kcal/mol - -Reactions: - -// Mfmt is methylformate SMILES: COC=O -// Mofml is methoxy-formyl radical SMILES: CO[C]=O -// Fmoml is Formyloxy-methyl radical SMILES: [CH2]OC=O - -// Unimolecular decomposition high-pressure rates. - -// These are from http://dx.doi.org/10.1021/jp9120436 -// W. K. Metcalfe, J. M. Simmie, and H. J. Curran. Ab Initio Chemical Kinetics of -// Methyl Formate Decomposition: The Simplest Model Biodiesel. The Journal of -// Physical Chemistry A, 114(17):5478-5484, May 2010. -Mfmt = CO + CH3OH 2.128e12 0.735 68.628 0 0 0 -Mfmt = CH2O + CH2O 2.158e9 1.280 75.979 0 0 0 -Mfmt = CO2 + CH4 4.536e11 0.832 83.612 0 0 0 - -// These are CFGoldsmith's QCI calculations -//Mfmt = CO + CH3OH 6.49e+04 2.62 64.4 0 0 0 -//Mfmt = CO2 + CH4 4.52e+06 2.06 79.4 0 0 0 -Mofml = CO2 + CH3j 2.3e+09 1.09 14.9 0 0 0 -CO + CH3Oj = Mofml 1.97e+09 1.27 5.81 0 0 0 -HCjO + CH2O = Fmoml 5.03e+03 2.48 9.32 0 0 0 - - - -// H-abstraction -// These are done using CBS-QB3, since the QCI method takes too long. -Hj + Mfmt = H2 + Mofml 2.28e+05 2.5 6.56 0 0 0 -Hj + Mfmt = H2 + Fmoml 1.16e+05 2.55 7.62 0 0 0 -CH3j + Mfmt = CH4 + Mofml 6.34 2.82 6.81 0 0 0 -CH3j + Mfmt = CH4 + Fmoml 0.257 3.96 8.02 0 0 0 - - -// Radical-Radical recombinations guessed by Mike (based on Klippenstein's rule of thumb) -// (Klippenstein said they were 1.8e13 times-or-divide 5) -CH3Oj + HCjO = Mfmt 1.8e13 0 0 0 0 0 -CH3j + OjCHO = Mfmt 1.8e13 0 0 0 0 0 diff --git a/output/RMG_database/kinetics_libraries/Methylformate/species.txt b/output/RMG_database/kinetics_libraries/Methylformate/species.txt deleted file mode 100644 index d7addbc5c9..0000000000 --- a/output/RMG_database/kinetics_libraries/Methylformate/species.txt +++ /dev/null @@ -1,65 +0,0 @@ -// Some methylformate species. - -// methylformate -Mfmt -1 C 0 {4,S} -2 C 0 {3,D} {4,S} -3 O 0 {2,D} -4 O 0 {1,S} {2,S} - -// methoxyformyl -Mofml -1 C 0 {4,S} -2 C 1 {3,D} {4,S} -3 O 0 {2,D} -4 O 0 {1,S} {2,S} - -// formyloxymethyl -Fmoml -1 C 1 {4,S} -2 C 0 {3,D} {4,S} -3 O 0 {2,D} -4 O 0 {1,S} {2,S} - -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -CO -1 C 2T {2,D} -2 O 0 {1,D} - -CH3Oj -1 O 1 {2,S} -2 C 0 {1,S} - -CH3OH -1 O 0 {2,S} -2 C 0 {1,S} - -CH4 -1 C 0 - -CH3j -1 C 1 - -Hj -1 H 1 - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -HCjO -1 C 1 {2,D} -2 O 0 {1,D} - -OjCHO -1 O 1 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -CH2O -1 C 0 {2,D} -2 O 0 {1,D} diff --git a/output/RMG_database/kinetics_libraries/OxygenSingTrip/pdepreactions.txt b/output/RMG_database/kinetics_libraries/OxygenSingTrip/pdepreactions.txt deleted file mode 100644 index b9bd9269b6..0000000000 --- a/output/RMG_database/kinetics_libraries/OxygenSingTrip/pdepreactions.txt +++ /dev/null @@ -1,17 +0,0 @@ -// Oxygen singlet-triplet interconversion library. -// Rates from, in general, C. Schweitzer and R. Schmidt. Physical mechanisms of generation and deactivation of singlet oxygen. Chemical Reviews 103:1685-1757, 2003. - -Unit: -A: mol/cm3/s -E: kJ/mol - -Reactions: - -// Irreversible, radiative deactivation -O2S + M => O2 + M 4.05E+0 0.0 0.0 0.0 0.0 0.0 -O2/5.43/ CO2/4.29/ - -// Reversible, electronic-to-vibrational energy transfer -O2S + M <=> O2 + M 3.00E6 0 0 0 0 0 -Ar/1.66E-3/ N2/0.028/ O2/0.34/ H2/1/ H2O/1.783/ C6H6/1.067/ CO/14/ - diff --git a/output/RMG_database/kinetics_libraries/OxygenSingTrip/reactions.txt b/output/RMG_database/kinetics_libraries/OxygenSingTrip/reactions.txt deleted file mode 100644 index 26285d9e32..0000000000 --- a/output/RMG_database/kinetics_libraries/OxygenSingTrip/reactions.txt +++ /dev/null @@ -1,9 +0,0 @@ -// Oxygen singlet-triplet interconversion library. -// Rates from, in general, C. Schweitzer and R. Schmidt. Physical mechanisms of generation and deactivation of singlet oxygen. Chemical Reviews 103:1685-1757, 2003. - -Unit: -A: mol/cm3/s -E: kJ/mol - -Reactions: -O2S => O2 2.3e-4 0 0 0 0 0 \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/OxygenSingTrip/species.txt b/output/RMG_database/kinetics_libraries/OxygenSingTrip/species.txt deleted file mode 100644 index 88e4dc129c..0000000000 --- a/output/RMG_database/kinetics_libraries/OxygenSingTrip/species.txt +++ /dev/null @@ -1,42 +0,0 @@ -// Oxygen singlet-triplet interconversion library. -// Rates from, in general, C. Schweitzer and R. Schmidt. Physical mechanisms of generation and deactivation of singlet oxygen. Chemical Reviews 103:1685-1757, 2003. - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - -O2S -1 O 0 {2,D} -2 O 0 {1,D} - -CO2 -1 O 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -H2O -1 H 0 {2,S} -2 O 0 {1,S} {3,S} -3 H 0 {2,S} - -C6H6 -1 C 0 {6,B} {2,B} {7,S} -2 C 0 {1,B} {3,B} {8,S} -3 C 0 {2,B} {4,B} {9,S} -4 C 0 {3,B} {5,B} {10,S} -5 C 0 {4,B} {6,B} {11,S} -6 C 0 {5,B} {1,B} {12,S} -7 H 0 {1,S} -8 H 0 {2,S} -9 H 0 {3,S} -10 H 0 {4,S} -11 H 0 {5,S} -12 H 0 {6,S} - -CO -1 C 2T {2,D} -2 O 0 {1,D} \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/TEOS/pdepreactions.txt b/output/RMG_database/kinetics_libraries/TEOS/pdepreactions.txt deleted file mode 100644 index 477bcdd472..0000000000 --- a/output/RMG_database/kinetics_libraries/TEOS/pdepreactions.txt +++ /dev/null @@ -1,5 +0,0 @@ -Unit: -A: mol/m3/s -E: cal/mol - -Reactions: diff --git a/output/RMG_database/kinetics_libraries/TEOS/reactions.txt b/output/RMG_database/kinetics_libraries/TEOS/reactions.txt deleted file mode 100644 index 47aea52c32..0000000000 --- a/output/RMG_database/kinetics_libraries/TEOS/reactions.txt +++ /dev/null @@ -1,49 +0,0 @@ -// Reactions and modified Arrhenius parameters from: -// J Herzler, JA Manion, W Tsang -// "Single-Pulse Shock Tube Study of the Decomposition of Tetraethoxysilane and Related Compounds" -// J. Phys. Chem. A 1997, 101, 5500-5508 - -Unit: -A: mol/cm3/s -E: kcal/mol - -Reactions: -Si(OC2H5)4 = C2H4 + Si(OC2H5)3OH 1.995E+15 0.0 68.552 0.0 0.0 0.0 -Si(OC2H5)4 = CH3 + CH2OSi(OC2H5)3 3.981E+17 0.0 86.037 0.0 0.0 0.0 -Si(OC2H5)3OH = C2H4 + Si(OC2H5)2(OH)2 1.585E+15 0.0 68.552 0.0 0.0 0.0 -Si(OC2H5)3OH = C2H5OH + O_Si(OC2H5)2 5.012E+11 0.0 45.105 0.0 0.0 0.0 -Si(OC2H5)3OH = CH3 + CH2OSi(OC2H5)2OH 3.162E+17 0.0 86.037 0.0 0.0 0.0 -Si(OC2H5)2(OH)2 = C2H4 + Si(OC2H5)(OH)3 1.000E+15 0.0 68.552 0.0 0.0 0.0 -Si(OC2H5)2(OH)2 = H2O + O_Si(OC2H5)2 5.012E+11 0.0 39.740 0.0 0.0 0.0 -Si(OC2H5)2(OH)2 = C2H5OH + O_Si(OC2H5)OH 6.310E+11 0.0 45.105 0.0 0.0 0.0 -Si(OC2H5)2(OH)2 = CH3 + CH2OSi(OC2H5)(OH)2 1.995E+17 0.0 86.037 0.0 0.0 0.0 -Si(OC2H5)(OH)3 = C2H4 + Si(OH)4 6.310E+14 0.0 68.552 0.0 0.0 0.0 -Si(OC2H5)(OH)3 = H2O + O_Si(OC2H5)OH 5.012E+11 0.0 39.740 0.0 0.0 0.0 -Si(OC2H5)(OH)3 = C2H5OH + O_Si(OH)2 5.012E+11 0.0 45.105 0.0 0.0 0.0 -Si(OC2H5)(OH)3 = CH3 + CH2OSi(OH)3 1.000E+17 0.0 86.037 0.0 0.0 0.0 -O_Si(OC2H5)2 = C2H4 + O_Si(OC2H5)OH 1.000E+13 0.0 52.059 0.0 0.0 0.0 -DUPLICATE -O_Si(OC2H5)2 = C2H4 + O_Si(OC2H5)OH 1.000E+15 0.0 68.552 0.0 0.0 0.0 -DUPLICATE -O_Si(OC2H5)2 = CH3 + CH2OSiO(OC2H5) 1.995E+17 0.0 86.037 0.0 0.0 0.0 -O_Si(OC2H5)OH = C2H4 + O_Si(OH)2 5.012E+12 0.0 52.059 0.0 0.0 0.0 -DUPLICATE -O_Si(OC2H5)OH = C2H4 + O_Si(OH)2 5.012E+14 0.0 68.552 0.0 0.0 0.0 -DUPLICATE -O_Si(OC2H5)OH = C2H5OH + SiO2 1.585E+11 0.0 47.092 0.0 0.0 0.0 -O_Si(OC2H5)OH = CH3 + CH2OSiO(OH) 1.000E+17 0.0 86.037 0.0 0.0 0.0 - -// CH2OSi(OC2H5)3 = CH3OSi(OC2H5)2(OC2H3) + H -// CH2OSi(OC2H5)2OH = CH3OSi(OC2H5)(OC2H3)OH + H -// CH2OSi(OC2H5)(OH)2 = CH3OSi(OC2H3)(OH)2 + H - -CH3OSi(OC2H5)2(OC2H3) = C2H4 + CH3OSi(OC2H5)(OC2H3)OH 1.000E+15 0.0 68.552 0.0 0.0 0.0 -CH3OSi(OC2H5)2(OC2H3) = CH3 + CH2OSi(OC2H5)(OC2H3)(OCH3) 1.995E+17 0.0 86.037 0.0 0.0 0.0 - -// CH2OSi(OC2H5)(OC2H3)(OCH3) = SI(OCH3)2(C2H3)2 + H - -CH3OSi(OC2H5)(OC2H3)OH = C2H4 + CH3OSi(OC2H3)(OH)2 5.012E+14 0.0 68.552 0.0 0.0 0.0 -CH3OSi(OC2H5)(OC2H3)OH = CH3 + CH2OSi(OCH3)(OC2H3)OH 1.000E+17 0.0 86.037 0.0 0.0 0.0 -CH3OSi(OC2H5)(OC2H3)OH = C2H5OH + CH3OSi(O)OC2H3 1.585E+11 0.0 45.105 0.0 0.0 0.0 -C2H5OH = C2H4 + H2O 6.310E+13 0.0 66.167 0.0 0.0 0.0 -C2H5OH = CH3 + CH2OH 1.000E+16 0.0 83.057 0.0 0.0 0.0 \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/TEOS/species.txt b/output/RMG_database/kinetics_libraries/TEOS/species.txt deleted file mode 100644 index 7f4685f9e2..0000000000 --- a/output/RMG_database/kinetics_libraries/TEOS/species.txt +++ /dev/null @@ -1,252 +0,0 @@ -// Reactions and modified Arrhenius parameters from: -// J Herzler, JA Manion, W Tsang -// "Single-Pulse Shock Tube Study of the Decomposition of Tetraethoxysilane and Related Compounds" -// J. Phys. Chem. A 1997, 101, 5500-5508 - -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - -C2H5OH -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} - -CH2OH -1 C 1 {2,S} -2 O 0 {1,S} - -CH2OSi(OC2H5)(OC2H3)(OCH3) -1 C 0 {5,D} -2 C 0 {6,S} -3 C 1 {7,S} -4 C 0 {8,S} -5 C 0 {1,D} {9,S} -6 C 0 {2,S} {10,S} -7 O 0 {3,S} {11,S} -8 O 0 {4,S} {11,S} -9 O 0 {5,S} {11,S} -10 O 0 {6,S} {11,S} -11 Si 0 {7,S} {8,S} {9,S} {10,S} - -CH2OSi(OC2H5)(OH)2 -1 C 0 {3,S} -2 C 1 {6,S} -3 C 0 {1,S} {7,S} -4 O 0 {8,S} -5 O 0 {8,S} -6 O 0 {2,S} {8,S} -7 O 0 {3,S} {8,S} -8 Si 0 {4,S} {5,S} {6,S} {7,S} - -CH2OSi(OC2H5)2OH -1 C 0 {4,S} -2 C 0 {5,S} -3 C 1 {7,S} -4 C 0 {1,S} {8,S} -5 C 0 {2,S} {9,S} -6 O 0 {10,S} -7 O 0 {3,S} {10,S} -8 O 0 {4,S} {10,S} -9 O 0 {5,S} {10,S} -10 Si 0 {6,S} {7,S} {8,S} {9,S} - -CH2OSi(OC2H5)3 -1 C 0 {5,S} -2 C 0 {6,S} -3 C 0 {7,S} -4 C 1 {8,S} -5 C 0 {1,S} {9,S} -6 C 0 {2,S} {10,S} -7 C 0 {3,S} {11,S} -8 O 0 {4,S} {12,S} -9 O 0 {5,S} {12,S} -10 O 0 {6,S} {12,S} -11 O 0 {7,S} {12,S} -12 Si 0 {8,S} {9,S} {10,S} {11,S} - -CH2OSi(OCH3)(OC2H3)OH -1 C 0 {4,D} -2 C 1 {6,S} -3 C 0 {7,S} -4 C 0 {1,D} {8,S} -5 O 0 {9,S} -6 O 0 {2,S} {9,S} -7 O 0 {3,S} {9,S} -8 O 0 {4,S} {9,S} -9 Si 0 {5,S} {6,S} {7,S} {8,S} - -CH2OSi(OH)3 -1 C 1 {5,S} -2 O 0 {6,S} -3 O 0 {6,S} -4 O 0 {6,S} -5 O 0 {1,S} {6,S} -6 Si 0 {2,S} {3,S} {4,S} {5,S} - -CH2OSiO(OC2H5) -1 C 0 {3,S} -2 C 1 {5,S} -3 C 0 {1,S} {6,S} -4 O 0 {7,D} -5 O 0 {2,S} {7,S} -6 O 0 {3,S} {7,S} -7 Si 0 {4,D} {5,S} {6,S} - -CH2OSiO(OH) -1 C 1 {4,S} -2 O 0 {5,S} -3 O 0 {5,D} -4 O 0 {1,S} {5,S} -5 Si 0 {2,S} {3,D} {4,S} - -CH3 -1 C 1 - -CH3OSi(O)OC2H3 -1 C 0 {3,D} -2 C 0 {5,S} -3 C 0 {1,D} {6,S} -4 O 0 {7,D} -5 O 0 {2,S} {7,S} -6 O 0 {3,S} {7,S} -7 Si 0 {4,D} {5,S} {6,S} - -CH3OSi(OC2H3)(OH)2 -1 C 0 {3,D} -2 C 0 {6,S} -3 C 0 {1,D} {7,S} -4 O 0 {8,S} -5 O 0 {8,S} -6 O 0 {2,S} {8,S} -7 O 0 {3,S} {8,S} -8 Si 0 {4,S} {5,S} {6,S} {7,S} - -CH3OSi(OC2H5)(OC2H3)OH -1 C 0 {4,D} -2 C 0 {5,S} -3 C 0 {7,S} -4 C 0 {1,D} {8,S} -5 C 0 {2,S} {9,S} -6 O 0 {10,S} -7 O 0 {3,S} {10,S} -8 O 0 {4,S} {10,S} -9 O 0 {5,S} {10,S} -10 Si 0 {6,S} {7,S} {8,S} {9,S} - -CH3OSi(OC2H5)2(OC2H3) -1 C 0 {5,D} -2 C 0 {6,S} -3 C 0 {7,S} -4 C 0 {8,S} -5 C 0 {1,D} {9,S} -6 C 0 {2,S} {10,S} -7 C 0 {3,S} {11,S} -8 O 0 {4,S} {12,S} -9 O 0 {5,S} {12,S} -10 O 0 {6,S} {12,S} -11 O 0 {7,S} {12,S} -12 Si 0 {8,S} {9,S} {10,S} {11,S} - -H -1 H 0 - -H2O -1 O 0 - -O_Si(OC2H5)2 -1 C 0 {3,S} -2 C 0 {4,S} -3 C 0 {1,S} {6,S} -4 C 0 {2,S} {7,S} -5 O 0 {8,D} -6 O 0 {3,S} {8,S} -7 O 0 {4,S} {8,S} -8 Si 0 {5,D} {6,S} {7,S} - -O_Si(OC2H5)OH -1 C 0 {2,S} -2 C 0 {1,S} {5,S} -3 O 0 {6,S} -4 O 0 {6,D} -5 O 0 {2,S} {6,S} -6 Si 0 {3,S} {4,D} {5,S} - -O_Si(OH)2 -1 O 0 {4,S} -2 O 0 {4,S} -3 O 0 {4,D} -4 Si 0 {1,S} {2,S} {3,D} - -Si(OC2H5)(OH)3 -1 C 0 {2,S} -2 C 0 {1,S} {6,S} -3 O 0 {7,S} -4 O 0 {7,S} -5 O 0 {7,S} -6 O 0 {2,S} {7,S} -7 Si 0 {3,S} {4,S} {5,S} {6,S} - -Si(OC2H5)2(OH)2 -1 C 0 {3,S} -2 C 0 {4,S} -3 C 0 {1,S} {7,S} -4 C 0 {2,S} {8,S} -5 O 0 {9,S} -6 O 0 {9,S} -7 O 0 {3,S} {9,S} -8 O 0 {4,S} {9,S} -9 Si 0 {5,S} {6,S} {7,S} {8,S} - -Si(OC2H5)3OH -1 C 0 {4,S} -2 C 0 {5,S} -3 C 0 {6,S} -4 C 0 {1,S} {8,S} -5 C 0 {2,S} {9,S} -6 C 0 {3,S} {10,S} -7 O 0 {11,S} -8 O 0 {4,S} {11,S} -9 O 0 {5,S} {11,S} -10 O 0 {6,S} {11,S} -11 Si 0 {7,S} {8,S} {9,S} {10,S} - -Si(OC2H5)4 -1 C 0 {5,S} -2 C 0 {6,S} -3 C 0 {7,S} -4 C 0 {8,S} -5 C 0 {1,S} {9,S} -6 C 0 {2,S} {10,S} -7 C 0 {3,S} {11,S} -8 C 0 {4,S} {12,S} -9 O 0 {5,S} {13,S} -10 O 0 {6,S} {13,S} -11 O 0 {7,S} {13,S} -12 O 0 {8,S} {13,S} -13 Si 0 {9,S} {10,S} {11,S} {12,S} - -Si(OCH3)2(OC2H3)2 -1 C 0 {5,D} -2 C 0 {6,D} -3 C 0 {7,S} -4 C 0 {8,S} -5 C 0 {1,D} {9,S} -6 C 0 {2,D} {10,S} -7 O 0 {3,S} {11,S} -8 O 0 {4,S} {11,S} -9 O 0 {5,S} {11,S} -10 O 0 {6,S} {11,S} -11 Si 0 {7,S} {8,S} {9,S} {10,S} - -Si(OH)4 -1 O 0 {5,S} -2 O 0 {5,S} -3 O 0 {5,S} -4 O 0 {5,S} -5 Si 0 {1,S} {2,S} {3,S} {4,S} - -SiO2 -1 O 0 {3,D} -2 O 0 {3,D} -3 Si 0 {1,D} {2,D} diff --git a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/01.txt b/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/01.txt deleted file mode 100644 index 4972594f88..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/01.txt +++ /dev/null @@ -1,24 +0,0 @@ -"usagi trial " - -"Spreadsheet format: rate constants in log form" - -"Chemact reactants: REACTANT " - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -7.00E-01 715.0 1.399 8.338 12.655 8.338 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -8.00E-01 715.0 1.399 8.396 12.655 8.396 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -9.00E-01 715.0 1.399 8.447 12.655 8.447 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -1.00E+00 715.0 1.399 8.493 12.655 8.493 "---" - - -"T (K)" "log P (atm)" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -715.0 -0.155 8.338 12.655 8.338 "---" -715.0 -0.097 8.396 12.655 8.396 "---" -715.0 -0.046 8.447 12.655 8.447 "---" -715.0 0.000 8.493 12.655 8.493 "---" diff --git a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/02.txt b/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/02.txt deleted file mode 100644 index e1caae821c..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/02.txt +++ /dev/null @@ -1,24 +0,0 @@ -"usagi trial " - -"Spreadsheet format: rate constants in log form" - -"Chemact reactants: REACTANT " - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -7.00E-01 715.0 1.399 7.427 12.655 7.427 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -8.00E-01 715.0 1.399 7.485 12.655 7.485 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -9.00E-01 715.0 1.399 7.536 12.655 7.536 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -1.00E+00 715.0 1.399 7.582 12.655 7.582 "---" - - -"T (K)" "log P (atm)" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -715.0 -0.155 7.427 12.655 7.427 "---" -715.0 -0.097 7.485 12.655 7.485 "---" -715.0 -0.046 7.536 12.655 7.536 "---" -715.0 0.000 7.582 12.655 7.582 "---" diff --git a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/03.txt b/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/03.txt deleted file mode 100644 index 7910e8afc1..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/03.txt +++ /dev/null @@ -1,24 +0,0 @@ -"usagi trial " - -"Spreadsheet format: rate constants in log form" - -"Chemact reactants: REACTANT " - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -7.00E-01 715.0 1.399 8.112 12.655 8.112 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -8.00E-01 715.0 1.399 8.170 12.655 8.170 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -9.00E-01 715.0 1.399 8.221 12.655 8.221 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -1.00E+00 715.0 1.399 8.267 12.655 8.267 "---" - - -"T (K)" "log P (atm)" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -715.0 -0.155 8.112 12.655 8.112 "---" -715.0 -0.097 8.170 12.655 8.170 "---" -715.0 -0.046 8.221 12.655 8.221 "---" -715.0 0.000 8.267 12.655 8.267 "---" diff --git a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/04.txt b/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/04.txt deleted file mode 100644 index db0c25c2e1..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/04.txt +++ /dev/null @@ -1,24 +0,0 @@ -"usagi trial " - -"Spreadsheet format: rate constants in log form" - -"Chemact reactants: REACTANT " - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -7.00E-01 715.0 1.399 7.704 12.655 7.704 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -8.00E-01 715.0 1.399 7.762 12.655 7.762 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -9.00E-01 715.0 1.399 7.813 12.655 7.813 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -1.00E+00 715.0 1.399 7.858 12.655 7.858 "---" - - -"T (K)" "log P (atm)" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -715.0 -0.155 7.704 12.655 7.704 "---" -715.0 -0.097 7.762 12.655 7.762 "---" -715.0 -0.046 7.813 12.655 7.813 "---" -715.0 0.000 7.858 12.655 7.858 "---" diff --git a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/05.txt b/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/05.txt deleted file mode 100644 index aa84a3f02c..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/05.txt +++ /dev/null @@ -1,24 +0,0 @@ -"usagi trial " - -"Spreadsheet format: rate constants in log form" - -"Chemact reactants: REACTANT " - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -7.00E-01 715.0 1.399 8.716 12.877 8.716 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -8.00E-01 715.0 1.399 8.772 12.877 8.772 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -9.00E-01 715.0 1.399 8.822 12.877 8.822 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -1.00E+00 715.0 1.399 8.867 12.877 8.867 "---" - - -"T (K)" "log P (atm)" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -715.0 -0.155 8.716 12.877 8.716 "---" -715.0 -0.097 8.772 12.877 8.772 "---" -715.0 -0.046 8.822 12.877 8.822 "---" -715.0 0.000 8.867 12.877 8.867 "---" diff --git a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/06.txt b/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/06.txt deleted file mode 100644 index 8bd716735d..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/06.txt +++ /dev/null @@ -1,24 +0,0 @@ -"usagi trial " - -"Spreadsheet format: rate constants in log form" - -"Chemact reactants: REACTANT " - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -7.00E-01 715.0 1.399 10.049 12.857 10.049 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -8.00E-01 715.0 1.399 10.107 12.857 10.107 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -9.00E-01 715.0 1.399 10.157 12.857 10.157 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -1.00E+00 715.0 1.399 10.203 12.857 10.203 "---" - - -"T (K)" "log P (atm)" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -715.0 -0.155 10.049 12.857 10.049 "---" -715.0 -0.097 10.107 12.857 10.107 "---" -715.0 -0.046 10.157 12.857 10.157 "---" -715.0 0.000 10.203 12.857 10.203 "---" diff --git a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/07.txt b/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/07.txt deleted file mode 100644 index 3968d53bf6..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/07.txt +++ /dev/null @@ -1,24 +0,0 @@ -"usagi trial " - -"Spreadsheet format: rate constants in log form" - -"Chemact reactants: REACTANT " - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -7.00E-01 715.0 1.399 8.117 12.655 8.117 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -8.00E-01 715.0 1.399 8.175 12.655 8.175 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -9.00E-01 715.0 1.399 8.226 12.655 8.226 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -1.00E+00 715.0 1.399 8.272 12.655 8.272 "---" - - -"T (K)" "log P (atm)" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -715.0 -0.155 8.117 12.655 8.117 "---" -715.0 -0.097 8.175 12.655 8.175 "---" -715.0 -0.046 8.226 12.655 8.226 "---" -715.0 0.000 8.272 12.655 8.272 "---" diff --git a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/08.txt b/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/08.txt deleted file mode 100644 index 80faa68248..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/08.txt +++ /dev/null @@ -1,24 +0,0 @@ -"usagi trial " - -"Spreadsheet format: rate constants in log form" - -"Chemact reactants: REACTANT " - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -7.00E-01 715.0 1.399 11.297 12.617 11.297 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -8.00E-01 715.0 1.399 11.342 12.614 11.342 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -9.00E-01 715.0 1.399 11.382 12.612 11.382 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -1.00E+00 715.0 1.399 11.417 12.610 11.417 "---" - - -"T (K)" "log P (atm)" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -715.0 -0.155 11.297 12.617 11.297 "---" -715.0 -0.097 11.342 12.614 11.342 "---" -715.0 -0.046 11.382 12.612 11.382 "---" -715.0 0.000 11.417 12.610 11.417 "---" diff --git a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/09.txt b/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/09.txt deleted file mode 100644 index cf6e131845..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/09.txt +++ /dev/null @@ -1,24 +0,0 @@ -"usagi trial " - -"Spreadsheet format: rate constants in log form" - -"Chemact reactants: REACTANT " - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -7.00E-01 715.0 1.399 8.406 12.845 8.406 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -8.00E-01 715.0 1.399 8.464 12.845 8.464 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -9.00E-01 715.0 1.399 8.515 12.845 8.515 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -1.00E+00 715.0 1.399 8.561 12.845 8.561 "---" - - -"T (K)" "log P (atm)" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -715.0 -0.155 8.406 12.845 8.406 "---" -715.0 -0.097 8.464 12.845 8.464 "---" -715.0 -0.046 8.515 12.845 8.515 "---" -715.0 0.000 8.561 12.845 8.561 "---" diff --git a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/10.txt b/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/10.txt deleted file mode 100644 index 97fb3b336e..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/10.txt +++ /dev/null @@ -1,24 +0,0 @@ -"usagi trial " - -"Spreadsheet format: rate constants in log form" - -"Chemact reactants: REACTANT " - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -7.00E-01 715.0 1.399 1.761 10.634 1.761 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -8.00E-01 715.0 1.399 1.819 10.634 1.819 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -9.00E-01 715.0 1.399 1.871 10.634 1.871 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -1.00E+00 715.0 1.399 1.916 10.634 1.916 "---" - - -"T (K)" "log P (atm)" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -715.0 -0.155 1.761 10.634 1.761 "---" -715.0 -0.097 1.819 10.634 1.819 "---" -715.0 -0.046 1.871 10.634 1.871 "---" -715.0 0.000 1.916 10.634 1.916 "---" diff --git a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/11.txt b/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/11.txt deleted file mode 100644 index 3afe17de62..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/11.txt +++ /dev/null @@ -1,24 +0,0 @@ -"usagi trial " - -"Spreadsheet format: rate constants in log form" - -"Chemact reactants: REACTANT " - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -7.00E-01 715.0 1.399 3.997 8.923 3.997 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -8.00E-01 715.0 1.399 4.055 8.923 4.055 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -9.00E-01 715.0 1.399 4.106 8.923 4.106 "---" - -"P (atm)" "T (K)" "1000/T" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -1.00E+00 715.0 1.399 4.151 8.923 4.151 "---" - - -"T (K)" "log P (atm)" "WELL1" "REACTANT" "QRRK (forw)" "R-leak" -715.0 -0.155 3.997 8.923 3.997 "---" -715.0 -0.097 4.055 8.923 4.055 "---" -715.0 -0.046 4.106 8.923 4.106 "---" -715.0 0.000 4.151 8.923 4.151 "---" diff --git a/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/P-dependentReactionFalloff.xls b/output/RMG_database/kinetics_libraries/combustion_core/P-dependentFalloff/P-dependentReactionFalloff.xls deleted file mode 100644 index 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a/output/RMG_database/kinetics_libraries/combustion_core/metan15.dat +++ /dev/null @@ -1,1377 +0,0 @@ -! -! *************************************************************************** -! * * -! * The Leeds methane oxidation mechanism * -! * * -! *************************************************************************** -! -! The latest version of this mechanism is always available from -! the World Wide Web: -! http://www.chem.leeds.ac.uk/Combustion/Combustion.html -! or -! http://garfield.chem.elte.hu/Combustion/Combustion.html -! -!*****Version 1.5 (31st March, 2001)*************************************** -! Changes from version 1.4 -! -! All thermodynamic data were updated. -! The new data are mainly based on -! Alexander Burcat's Ideal Gas Thermochemical Database, March, 2001 -! -! -! Only reversible reactions are used -! -!*****Version 1.4 (10th July 1997)**************************************** -! Changes from version 1.3 -! -! The A Factor of reaction CO+OH=>CO2+H was increased by 10% -! to simulate better CO flame speeds -! -! Thermodynamic data for CH2OH was set back to the SANDIA recommendation -! -! -!*****Version 1.3 (25th July 1996)**************************************** -! Changes from version 1.2 -! -! corrected error in cec summary page for CH3 + OH = CH2(S) + H2O -! (increased x10) -! -! Went Back to original rate for reaction H+CH2OH=CH3+OH -! Set H+CH3+M=CH4+M at 80% of its cec recommendation -! -! In order to simulate ethane/O2/Ar ignition delays, altered -! C2H3+O2=HCO+HCHO to C2H3+O2=HO2+C2H2 -! -! -!*****Version 1.2 (26th February 1996)************************************* -! Changes from version 1.1 -! -! corrected error in C2H6 + M => 2CH3 + M (added missing TROE values) -! -! -!*****Version 1.1 (31st August, 1995)************************************** -! -! Changes from version 1.0 -! 1. Modified rate for reaction H+CH2OH=CH3+OH -! -! Version 1.0 was launched on 20th August, 1995 -! -! Authors: -! K.J. Hughes (1) -! T. Turanyi (2) -! M.J. Pilling (1) -! -! (1) School of Chemistry -! The University of Leeds -! Leeds, LS2 9JT -! UK -! -! (2) Department of Physical Chemistry -! Eotvos University (ELTE) -! H-1518 Budapest, P.O.Box 32 -! Hungary -! -! The authors are grateful for the helpful discussions to -! -! D.L. Baulch -! S. Dobe -! P.W Seakins -! S.H. Robertson -! -!-------------------------------------------------------------------------- -! -! This mechanism is based on [94BAU/COB], a recent evaluation -! of a CEC task group. Data not available from [94BAU/COB] -! were looked for in the NIST and LEEDS kinetics data bases -! (see Literature for references). -! -! The rate data have been annotated with the following -! additional information: -! -! (i) Other possible channels (if any) -! -! (ii) Classification of the rate data: -! -! A very well known rate parameter -! the evaluation is based on several measurements in good agreement -! -! B evaluated data -! the evaluation is based on few and/or conflicting measurements -! -! C low temperature (T < about 1100K) indirect measurements -! -! D low temperature (T < about 1100K) direct measurements -! -! E high temperature (T > about 1100K) indirect measurement -! (shock tube or flame excitation) -! -! F high temperature (T > about 1100K) direct measurement -! (usually shock tube) -! -! T theoretical result -! no experimental data are available -! -! S estimated value -! experimental data or detailed theoretical calculations -! are not available, but a reasonable estimation can be made -! on the basis of data for analogue reactions -! -! U uncertain data -! no experimental data, no theoretical calculation, and -! no basis for a good estimation -! -! -! Double classification: -! - letter before slash stands for the overall reaction -! - letter after slash stands for the product channels -! -! e.g. A/U means well known overall reaction parameters -! with uncertain product channel ratios -! -! (iii) Uncertainty factors: -! -! In agreement with [94BAU/COB], f = log10 (k_max/k) values are used. -! The uncertainties were taken from the evaluations. When evaluated data -! were not available (cases C-U), the uncertainties were estimated. -! -! -! (iv) Temperature intervals: -! -! The indicated temperature interval stands for -! - the temperature interval of recommendation in case of A, B -! - the temperature interval of measurements in case of C to F -! - the temperature interval of assumed validity in case of T, S, U -! -! (v) Reference -! -! The referencing follows the style of the NIST database, -! even though some of the cited papers are not included there. -! -!----------------------------------------------------------------------------- -! -! [94BAU/COB] use the Troe formalism for the description of fall-off curves. -! In some cases they provide a constant Fc with typical error limits -! delta Fc=+-0.1. Unfortunately CHEMKIN can not handle temperature independent -! Fc-s and therefore in these cases TROE / 1 1 1 -ln(Fc)*1500 / parameters -! were used. This is exact at 1500K and Fc remains within the error limits -! in the range of 1200K-2000K. -! -!----------------------------------------------------------------------------- -! -! Following the suggestion of Warnatz [84WAR], -! all 3rd bodies are weighted as follows: -! -! N2 0.4 -! O2 0.4 -! CO 0.75 -! CO2 1.5 -! H2O 6.5 -! CH4 3.0 -! C2H6 3.0 -! Ar 0.35 -! He 0.35 -! -! Comments: -! -! - The weight of all other species is 1. -! - CH4 had a weight of 6.5 in the original recommendation of [84WAR] -! but a value of 3.0 is now generally employed ( see e.g. [92GRO/KEL]) -! - Experimental or evaluated low pressure limits (k0) have been reported -! for bath gases N2, He, Ar, and C2H6. In the few cases where N2 and Ar -! data differ, consistently the N2 data have been chosen. These cases -! are indicated in the text. -! The low pressure A factors for these reactions were scaled -! to a general collider with unit weight according to the above weighting. -! The 3rd body efficiency for He was used for the scaling, but it does not -! appear in the mechanism. -! -!---------------------------------------------------------------------------- -! -! -! Heat-of-formation, entropy, and heat capacity of species at 298.15K -! -! -! species dH S Cp source updated accuracy -! kJ/mole J/K_mole kJ/mole MM/YY -! H2 0.00 +- 0.00 [1] 130.67 28.83 R 78 A -! CH4 -74.60 +- 0.40 [1] 186.36 35.69 L 8/88 B -! C2H2 227.39 +- 1.00 [1] 200.90 44.00 L 8/88 A -! C2H4 52.29 +- 1.20 [1] 219.17 42.80 L 4/85 B -! C2H6 -83.86 +- 0.20 [1] 229.07 52.39 L 5/84 B -! C3H4 190.91 +- 8.00 [1] 243.42 58.88 L 8/89 B -! C3H6 20.41 +- 0.40 [1] 266.52 64.38 L 4/85 B -! C4H2 440.47 +- 8.00 [1] 255.96 73.64 L 9/89 C -! O2 0.00 +- 0.00 [1] 205.14 29.38 R 89 A -! H2O -241.81 +- 0.04 [1] 188.82 33.59 L 5/89 A -! H2O2 -135.88 +- 0.50 [3] 234.51 42.39 L 2/93 B -! CO -110.52 +- 0.17 [1] 197.65 29.14 R 79 A -! CO2 -393.49 +- 0.13 [1] 213.77 37.13 L 7/88 A -! CH2O -108.57 +- 0.50 [1] 218.75 35.39 L 8/88 B -! CH2CO -49.58 +- 1.70 [7] 241.88 51.74 T 6/94 B -! C 716.63 +- 0.45 [1] 158.09 20.84 L 7/88 A -! H 217.99 +- 0.006 [1] 114.71 20.79 L 6/94 A -! CH 596.40 +- 1.20 [2] 183.03 29.17 R 79 A -! CH2 390.39 +- 4.00 [1] 194.89 33.76 R 79 B -! CH2(S) 428.07 +- 2.50 [7] 188.71 33.77 C 12/87 B -! CH3 146.65 +- 0.40 [7] 193.95 38.41 L 8/88 B -! C2H 566.10 +- 2.90 [2] 213.29 42.00 T 07/00 B -! C2H3 299.72 +- 3.40 [1] 233.94 43.64 T 06/93 B -! C2H5 120.90 +- 1.60 [2] 247.10 50.48 T 12/91 B -! C3H2 476.95 +- 8.00 [1] 253.45 58.01 T 08/00 C -! H2CCCH 339.00 +- 4.00 [4] 256.64 64.89 T 5/97 B -! H2CCCCH 483.72 +- 8.00 [1] 289.69 70.01 L 9/89 C -! O 249.16 +- 0.00 [1] 161.05 21.91 L 1/90 A -! OH 37.20 +- 2.10 [8] 183.73 29.89 R 78 A -! HO2 13.81 +- 3.35 [6] 229.09 34.89 L 5/89 B -! HCO 42.00 +- 0.80 [1] 224.32 34.59 L 12/89 - -! CH3O 17.20 +- 3.80 [2] 229.38 43.51 L 8/88 B -! CH2OH -16.60 +- 4.20 [5] 243.90 48.37 T 9/92 B -! HCCO 177.39 +- 8.80 [1] 245.27 48.41 T 6/94 B -! CH2HCO 10.50 +- 9.20 [2] 267.90 54.97 T 4/83 B -! N2 0.00 +- 0.00 [1] 191.60 29.12 R 78 A -! AR 0.00 +- 0.00 [1] 154.84 20.79 L 6/88 A -! -! The NASA polynomials for thermodynamic data were taken -! from Alexander Burcat's Thermochemical Database [1]. -! In this database the source and the accuracy of data are characterized by -! symbols, given in the last three columns of the table above. -! Explanation to Burcat's notations: -! Source: -! C CHEMKIN database -! L NASA Glen (Lewis) Research Center -! R Russian Tables (TSIV) -! T Technion-Israel Inst. Technology -! Updated: -! Date when polynomial was last revised. -! Accuracy of thermodynamic data: -! A most accurate (direct summation or RRHO approximation -! with anharmonicity correction) -! B accurate (regular RRHO) -! C less accurate (RRHO calculation with estimated frequencies -! and free rotor approach) -! -! In most cases the deltaH(298.15K) values recommended by Burcat were -! accepted and then reference [1] is given in column 3. -! In other cases the deltaH(298.15K) values were revised and values -! from other sources (given in column 3) were used. -! In such cases the polynomials were corrected by program MECHMOD v1.4. -! -! References to deltaH(298.15K) data: -! -! [1] Alexander Burcat's Ideal Gas Thermochemical Database, March, 2001 -! -! [2] R. Atkinson, D.L. Baulch, R.A. Cox, R.F. Hampson, Jr., J.A. Kerr, -! M.J. Rossi, J. Troe -! Evaluated kinetic and photochemical data for atmospheric chemistry, -! organic species: Supplement VII, -! J. Phys. Chem. Ref. Data, Vol. 28, No. 2. 1999. -! [3] L.V. Gurvich, I.V. Veyts, C.B. Alcock -! Thermodynamic properties of individual substances -! Vols 1 and 2, Parts 1 and 2, -! Hemisphere, New York, 1989 -! [4] W. Tsang -! Heats of formation of organic free radicals by kinetic methods -! in: Energetics of organic free radicals, -! J.A.M. Simoes, A. Greenberg, J. F. Liebman (eds.) -! Blachie Academic and Professional, 1996 -! [5] S. Dobe, T. Berces, T. Turanyi, F. Marta, -! J. Grussdorf, F. Temps, H.Gg. Wagner -! Direct kinetic studies of the reactions Br+CH3OH and CH2OH+HBr: -! The heat of formation of CH2OH -! J.Phys.Chem, 100, 19864-19873(1996) -! [6] M. Litorja, B. Ruscic -! J.Electron Spectr.Rel.Phen., 97, 131-146(1998) -! [7] B. Ruscic, M. Litorja, R.L. Asher -! Ionization energy of methylene revisited: Improved values for the -! enthalpy of formation of CH2 and the bond dissociation energy of CH3 -! via simultaneous solution of the local thermodynamical network -! J.Phys.Chem. A, 103, 8625-8633(1999) -! [8] B. Ruscic, D. Feller, D.A. Dixon, K.A. Peterson, L.B. Harding, -! R.L. Asher, A.F. Wagner -! J.Phys.Chem. A, 105, 1-4(2001) -! -ELEMENTS H O C N AR END -SPECIES -! -! H/C molecules -! - H2 - CH4 - C2H2 - C2H4 - C2H6 - C3H4 ! allene (propadiene) CH2=C=CH2 - C3H6 ! propylene - C4H2 ! HCC-CCH -! -! O/H/C molecules -! - O2 - H2O - H2O2 - CO - CO2 - CH2O - CH2CO ! H2C=C=O -! -! H/C radicals -! - C - H - CH ! CH(X2Pi) - CH2 ! CH2(X3B1) - CH2(S) ! CH2(aX) - CH3 - C2H ! ethynyl radical - C2H3 - C2H5 - C3H2 - H2CCCH ! .CH2-CC-H propargyl radical (see [90COL/DES]) - H2CCCCH ! CH2=C.-CC-H butenyn-2-yl (see [88DUR/AMO]) -! -! O/H/C radicals -! - O - OH - HO2 - HCO - CH3O - CH2OH - HCCO ! H.C=C=O - CH2HCO ! .CH2COH -! -! Buffer gases -! - N2 - AR -! -! Notation: -! C-C single bond -! C=C double bond -! CC triple bond -! C. lonely electron pair -! -!------------------------------------------------------------- -! -! Some species were not included into the mechanism, -! although their generation reactions are known: -! -! CH3CHO from (C2H5+O) -! CH3OH from (CH3+OH+M) -! C2O from (HCCO+O2),(CO+CH), and (CO2+CH) -! C3H2O from (H2CCCH+O) -! -! For these reactions alternative product channels were considered. -! -!--------------------------------------------------------------- -! -! The (forward) reactions are ordered according to the above -! order of species. All reactions of H2 come first, then -! all reactions of CH4, etc. -! -END -THERMO ALL - 300.000 1000.000 5000.000 -H2 H 2 0 0 0G 200.00 6000.00 1000.00 0 1 - 2.93283050E+00 8.26598020E-04-1.46400570E-07 1.54098510E-11-6.88796150E-16 2 --8.13055820E+02-1.02431640E+00 2.34430290E+00 7.98042480E-03-1.94779170E-05 3 - 2.01569670E-08-7.37602890E-12-9.17924130E+02 6.83002180E-01 4 -CH4 H 4C 1 0 0G 200.00 6000.00 1000.00 0 1 - 1.63542560E+00 1.00844310E-02-3.36923690E-06 5.34972800E-10-3.15528170E-14 2 --1.00056030E+04 9.99369530E+00 5.14987920E+00-1.36710080E-02 4.91801300E-05 3 --4.84744030E-08 1.66694410E-11-1.02466480E+04-4.64132440E+00 4 -C2H2 H 2C 2 0 0G 200.00 6000.00 1000.00 0 1 - 4.65870470E+00 4.88409490E-03-1.60835630E-06 2.46987870E-10-1.38615050E-14 2 - 2.56632180E+04-3.99790740E+00 8.08691080E-01 2.33613950E-02-3.55166360E-05 3 - 2.80145660E-08-8.50044590E-12 2.63327640E+04 1.39396710E+01 4 -C2H4 H 4C 2 0 0G 300.00 5000.00 1000.00 0 1 - 4.39854530E+00 9.62286070E-03-3.16637760E-06 4.57476280E-10-2.36594060E-14 2 - 4.11532030E+03-2.46274380E+00 1.21766000E+00 1.30026750E-02 3.50374470E-06 3 --1.11555140E-08 4.72032220E-12 5.33738280E+03 1.54801690E+01 4 -C2H6 H 6C 2 0 0G 300.00 5000.00 1000.00 0 1 - 4.70288470E+00 1.40426350E-02-4.64693770E-06 6.74737380E-10-3.50893120E-14 2 --1.26719880E+04-4.54339500E+00 1.53952600E+00 1.50408410E-02 6.68471150E-06 3 --1.33829480E-08 4.85613980E-12-1.12487660E+04 1.41073750E+01 4 -C3H4 H 4C 3 0 0G 200.00 6000.00 1000.00 0 1 - 6.31687220E+00 1.11337280E-02-3.96293780E-06 6.35642380E-10-3.78755400E-14 2 - 2.01174950E+04-1.09957660E+01 2.61304450E+00 1.21225750E-02 1.85398800E-05 3 --3.45251490E-08 1.53350790E-11 2.15415670E+04 1.02261390E+01 4 -C3H6 H 6C 3 0 0G 300.00 5000.00 1000.00 0 1 - 6.72139740E+00 1.49317570E-02-4.96523530E-06 7.25107530E-10-3.80014760E-14 2 --9.24531490E+02-1.21556170E+01 1.45751570E+00 2.11422630E-02 4.04680120E-06 3 --1.63190030E-08 7.04751530E-12 1.07402080E+03 1.73994600E+01 4 -C4H2 H 2C 4 0 0G 200.00 6000.00 1000.00 0 1 - 8.66700350E+00 6.71663710E-03-2.35449950E-06 3.73830790E-10-2.21189140E-14 2 - 4.98569330E+04-2.11142050E+01-3.95185080E-01 5.19558130E-02-9.17866160E-05 3 - 8.05239290E-08-2.69170880E-11 5.14517090E+04 2.09691010E+01 4 -O2 O 2 0 0 0G 200.00 6000.00 1000.00 0 1 - 3.66096083E+00 6.56365523E-04-1.41149485E-07 2.05797658E-11-1.29913248E-15 2 --1.21597725E+03 3.41536184E+00 3.78245636E+00-2.99673415E-03 9.84730200E-06 3 --9.68129508E-09 3.24372836E-12-1.06394356E+03 3.65767573E+00 4 -H2O H 2O 1 0 0G 200.00 6000.00 1000.00 0 1 - 2.67703890E+00 2.97318160E-03-7.73768890E-07 9.44335140E-11-4.26899910E-15 2 --2.98858940E+04 6.88255000E+00 4.19863520E+00-2.03640170E-03 6.52034160E-06 3 --5.48792690E-09 1.77196800E-12-3.02937260E+04-8.49009010E-01 4 -H2O2 H 2O 2 0 0G 200.00 6000.00 1000.00 0 1 - 4.57333537E+00 4.04984070E-03-1.29479479E-06 1.97281710E-10-1.13402846E-14 2 --1.80040975E+04 7.04278488E-01 4.27611269E+00-5.42822417E-04 1.67335701E-05 3 --2.15770813E-08 8.62454363E-12-1.77035843E+04 3.43505074E+00 4 -CO O 1C 1 0 0G 200.00 6000.00 1000.00 0 1 - 3.04848590E+00 1.35172810E-03-4.85794050E-07 7.88536440E-11-4.69807460E-15 2 --1.42661170E+04 6.01709770E+00 3.57953350E+00-6.10353690E-04 1.01681430E-06 3 - 9.07005860E-10-9.04424490E-13-1.43440860E+04 3.50840930E+00 4 -CO2 O 2C 1 0 0G 200.00 6000.00 1000.00 0 1 - 4.63651110E+00 2.74145690E-03-9.95897590E-07 1.60386660E-10-9.16198570E-15 2 --4.90249040E+04-1.93489550E+00 2.35681300E+00 8.98412990E-03-7.12206320E-06 3 - 2.45730080E-09-1.42885480E-13-4.83719710E+04 9.90090350E+00 4 -CH2O H 2O 1C 1 0G 200.00 6000.00 1000.00 0 1 - 3.16948070E+00 6.19327420E-03-2.25059810E-06 3.65982450E-10-2.20154100E-14 2 --1.44784250E+04 6.04235330E+00 4.79370360E+00-9.90815180E-03 3.73214590E-05 3 --3.79279020E-08 1.31770150E-11-1.43089550E+04 6.02887020E-01 4 -CH2CO H 2O 1C 2 0G 200.00 6000.00 1000.00 0 1 - 5.75779010E+00 6.34965070E-03-2.25844070E-06 3.62084620E-10-2.15690300E-14 2 --8.20537635E+03-6.10640370E+00 2.14011650E+00 1.80883680E-02-1.73242160E-05 3 - 9.27674770E-09-1.99150110E-12-7.26981595E+03 1.21986990E+01 4 -C C 1 0 0 0G 200.00 6000.00 1000.00 0 1 - 2.60558300E+00-1.95934340E-04 1.06737220E-07-1.64239400E-11 8.18705800E-16 2 - 8.54117420E+04 4.19238680E+00 2.55423950E+00-3.21537720E-04 7.33792230E-07 3 --7.32234870E-10 2.66521440E-13 8.54426810E+04 4.53130850E+00 4 -H H 1 0 0 0G 200.00 6000.00 1000.00 0 1 - 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 - 2.54736600E+04-4.46682850E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 - 0.00000000E+00 0.00000000E+00 2.54736600E+04-4.46682850E-01 4 -CH H 1C 1 0 0G 200.00 6000.00 1000.00 0 1 - 2.52090620E+00 1.76537260E-03-4.61475810E-07 5.92885670E-11-3.34732090E-15 2 - 7.10230206E+04 7.40532230E+00 3.48981660E+00 3.23835540E-04-1.68899060E-06 3 - 3.16217330E-09-1.40609070E-12 7.06888776E+04 2.08401110E+00 4 -CH2 H 2C 1 0 0G 200.00 6000.00 1000.00 0 1 - 2.53871220E+00 3.82254910E-03-1.28613040E-06 1.98003080E-10-1.14657430E-14 2 - 4.61292530E+04 8.10546480E+00 4.17936550E+00-2.21785530E-03 7.96536020E-06 3 --6.91273390E-09 2.24753180E-12 4.57508570E+04-7.61137030E-03 4 -CH2(S) H 2C 1 0 0G 300.00 4000.00 1000.00 0 1 - 3.55288800E+00 2.06678800E-03-1.91411600E-07-1.10467330E-10 2.02134900E-14 2 - 5.02544011E+04 1.68657000E+00 3.97126500E+00-1.69908800E-04 1.02536890E-06 3 - 2.49255000E-09-1.98126600E-12 5.02983211E+04 5.75320700E-02 4 -CH3 H 3C 1 0 0G 200.00 6000.00 1000.00 0 1 - 2.96697350E+00 5.79366720E-03-1.96948090E-06 3.05569360E-10-1.77678430E-14 2 - 1.65131329E+04 4.79188030E+00 3.67333750E+00 2.00205590E-03 5.78531350E-06 3 --6.98730540E-09 2.60555990E-12 1.64161969E+04 1.60183150E+00 4 -C2H H 1C 2 0 0G 200.00 6000.00 1000.00 0 1 - 3.66459586E+00 3.82189487E-03-1.36509398E-06 2.13253692E-10-1.23098939E-14 2 - 6.69367375E+04 3.91355399E+00 2.90180321E+00 1.32859725E-02-2.80508233E-05 3 - 2.89300812E-08-1.07446930E-11 6.68300042E+04 6.17234595E+00 4 -C2H3 H 3C 2 0 0G 200.00 6000.00 1000.00 0 1 - 4.70253100E+00 7.26422830E-03-2.58019920E-06 4.13199440E-10-2.45914920E-14 2 - 3.40296750E+04-1.42937140E+00 3.00196020E+00 3.03043540E-03 2.44443150E-05 3 --3.58102420E-08 1.51087000E-11 3.48681730E+04 9.33044950E+00 4 -C2H5 H 5C 2 0 0G 200.00 6000.00 1000.00 0 1 - 4.28788140E+00 1.24338930E-02-4.41391190E-06 7.06541020E-10-4.20351360E-14 2 - 1.23269670E+04 8.46025830E-01 4.30585800E+00-4.18336380E-03 4.97072700E-05 3 --5.99058740E-08 2.30484780E-11 1.31122260E+04 4.71002360E+00 4 -C3H2 H 2C 3 0 0G 200.00 6000.00 1000.00 0 1 - 5.69445684E+00 6.53821901E-03-2.35907266E-06 3.82037384E-10-2.29227460E-14 2 - 5.49264274E+04-6.96163733E+00 3.18167129E+00-3.37611741E-04 3.95343765E-05 3 --5.49792422E-08 2.28335240E-11 5.61816758E+04 9.06482468E+00 4 -H2CCCH H 3C 3 0 0G 200.00 6000.00 1000.00 0 1 - 7.14221880E+00 7.61902005E-03-2.67459950E-06 4.24914801E-10-2.51475415E-14 2 - 3.80693414E+04-1.25848435E+01 1.35110927E+00 3.27411223E-02-4.73827135E-05 3 - 3.76309808E-08-1.18540923E-11 3.92663770E+04 1.52058924E+01 4 -H2CCCCH H 3C 4 0 0G 298.15 6000.00 1000.00 0 1 - 8.47620790E+00 8.87823270E-03-3.03284120E-06 4.73583020E-10-2.77166270E-14 2 - 5.47565400E+04-1.71705510E+01 2.41732470E+00 2.41047820E-02-1.28134700E-05 3 --2.86062370E-09 3.91945270E-12 5.65064760E+04 1.44711070E+01 4 -O O 1 0 0 0G 200.00 6000.00 1000.00 0 1 - 2.54363697E+00-2.73162486E-05-4.19029520E-09 4.95481845E-12-4.79553694E-16 2 - 2.92260120E+04 4.92229457E+00 3.16826710E+00-3.27931884E-03 6.64306396E-06 3 --6.12806624E-09 2.11265971E-12 2.91222592E+04 2.05193346E+00 4 -OH H 1O 1 0 0G 200.00 6000.00 1000.00 0 1 - 2.83864607E+00 1.10725586E-03-2.93914978E-07 4.20524247E-11-2.42169092E-15 2 - 3.68599690E+03 5.84452662E+00 3.99201543E+00-2.40131752E-03 4.61793841E-06 3 --3.88113333E-09 1.36411470E-12 3.35711894E+03-1.03925458E-01 4 -HO2 H 1O 2 0 0G 200.00 6000.00 1000.00 0 1 - 4.17226590E+00 1.88120980E-03-3.46292970E-07 1.94685160E-11 1.76091530E-16 2 - 2.13222508E+02 2.95779740E+00 4.30178800E+00-4.74902010E-03 2.11579530E-05 3 --2.42759610E-08 9.29206700E-12 4.46212417E+02 3.71670100E+00 4 -HCO H 1O 1C 1 0G 200.00 6000.00 1000.00 0 1 - 3.64896209E+00 3.08090819E-03-1.12429876E-06 1.86308085E-10-1.13951828E-14 2 - 3.71209048E+03 5.06147406E+00 4.22118584E+00-3.24392532E-03 1.37799446E-05 3 --1.33144093E-08 4.33768865E-12 3.83956496E+03 3.39437243E+00 4 -CH3O H 3O 1C 1 0G 200.00 6000.00 1000.00 0 1 - 4.26533080E+00 7.85764060E-03-2.84104380E-06 4.60451900E-10-2.76319060E-14 2 - 1.65605687E+02 3.93099470E-01 3.26523370E+00 3.30316650E-03 1.70488010E-05 3 --2.27096300E-08 8.80717680E-12 8.38550421E+02 7.42573570E+00 4 -CH2OH H 3O 1C 1 0G 200.00 6000.00 1000.00 0 1 - 4.72398695E+00 6.50832540E-03-2.24240605E-06 3.51742805E-10-2.06424726E-14 2 --3.81156740E+03 1.47350104E+00 4.73864580E+00 1.27132491E-03 1.46005656E-05 3 --1.83666166E-08 7.07708694E-12-3.56200591E+03 2.65277676E+00 4 -HCCO H 1O 1C 2 0G 200.00 6000.00 1000.00 0 1 - 5.84690060E+00 3.64059600E-03-1.29590070E-06 2.07969190E-10-1.24000220E-14 2 - 1.92484960E+04-5.29165330E+00 2.33501180E+00 1.70100830E-02-2.20188670E-05 3 - 1.54064470E-08-4.34550970E-12 2.00502990E+04 1.19767290E+01 4 -CH2HCO H 3O 1C 2 0G 300.00 5000.00 1000.00 0 1 - 5.97566990E+00 8.13059140E-03-2.74362450E-06 4.07030410E-10-2.17601710E-14 2 --1.26585075E+03-5.03208790E+00 3.40906240E+00 1.07385740E-02 1.89149250E-06 3 --7.15858310E-09 2.86738510E-12-2.34695926E+02 9.57145350E+00 4 -N2 N 2 0 0 0G 200.00 6000.00 1000.00 0 1 - 2.95254070E+00 1.39688380E-03-4.92625770E-07 7.86000910E-11-4.60749780E-15 2 --9.23937530E+02 5.87182210E+00 3.53096280E+00-1.23659500E-04-5.02993390E-07 3 - 2.43527680E-09-1.40879540E-12-1.04696370E+03 2.96743910E+00 4 -AR AR 1 0 0 0G 200.00 6000.00 1000.00 0 1 - 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 --7.45375000E+02 4.37967490E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 - 0.00000000E+00 0.00000000E+00-7.45375000E+02 4.37967490E+00 4 -END -REACTIONS MOLES KJOULES/MOLE -! -! Methane flame mechanism -! - H2 + CH2(S) = CH3 + H 7.23E13 0.00 0.00 -! A 0.3 300 - 1000 [94BAU/COB] -! - H2 + O = OH + H 5.12E04 2.67 26.27 -! A 0.2 300 - 2500 [94BAU/COB] -! - H2O + H = H2 + OH 4.52E08 1.6 77.08 -! A 0.2 300-2500 [94BAU/COB] -! - CH4 + O2 = CH3 + HO2 3.97E13 0.00 238.04 -! B 1.0 500-2000 [94BAU/COB] -! - CH4 + C = CH + CH3 5.00E13 0.00 100.48 -! U 1.0 [86GLA/MIL] -! - CH4 + H = CH3 + H2 1.32E04 3.00 33.63 -! A 0.05 300-2500 [94BAU/COB] -! - CH4 + CH = C2H4 + H 3.01E13 0.00 -1.66 -! -! B 1.0 200-700 [94BAU/COB] -! - CH4 + CH2 = CH3 + CH3 4.30E12 0.00 42.00 -! D 1.0 296-707 [85BOH/DOB] -! - CH4 + CH2(S) = CH3 + CH3 7.00E13 0.00 0.00 -! D 1.0 298 [80ASH/FUL], [83LAN/PET] -! - CH4 + C2H = CH3 + C2H2 1.81E12 0.00 0.00 -! CH4+C2H=>(CH3+C2H2)(H+C3H4) -! B/U 1.0 298 [94BAU/COB] -! - CH4 + O = CH3 + OH 7.23E08 1.56 35.5 -! A 0.2 300-2500 [94BAU/COB] -! - CH4 + OH = CH3 + H2O 1.57E07 1.83 11.64 -! A 0.15 250-2500 [94BAU/COB] -! - CH4 + HO2 = CH3 + H2O2 9.03E12 0.00 103.43 -! B 0.3 600-1000 [94BAU/COB] -! - C2H2 + C2H2 = H2CCCCH+ H 2.00E09 0.00 242.00 -! S 1.0 700-1300 [88DUR/AMO] -! - C2H2 + O2 = C2H + HO2 1.20E13 0.00 312.00 -! S 0.7 300-2500 [86TSA/HAM] -! -! - H2 + C2H = C2H2 + H 1.08E13 0.00 9.06 -! B 0.4 300-2500 [94BAU/COB] -! - C2H2 + H (+M) = C2H3 (+M) 8.43E12 0.00 10.81 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! A 0.3 200- 400 [94BAU/COB] - LOW / 3.43E18 0.0 6.15 / -! scaled for He; the original data: -! 1.20E18 0.0 6.15 (He) B 0.5 200- 400 [94BAU/COB] - TROE / 1 1 1 1231 / -! B 0.1 200- 400 [94BAU/COB] (Fc= 0.44) -! - C2H2 + CH = C2H + CH2 2.11E14 0.00 -0.51 -! C2H2+CH=>(C2H+CH2)(C3H2+H) -! B/U 1.0 200- 700 [94BAU/COB] -! - C2H2 + CH2 = C3H4 1.20E13 0.00 27.69 -! B 0.3 300-1000 [94BAU/COB] -! - C2H2 + CH2(S) = H2CCCH + H 1.75E14 0.00 0.00 -! C2H2+CH2(S)=>(CH2CCH2);(CH3CCH);(H2CCCH+H) -! B/U 0.7 300-1000 [94BAU/COB] -! - C2H2 + C2H = C4H2 + H 9.03E13 0.00 0.00 -! B 0.5 300-2700 [94BAU/COB] -! - C2H2 + O = CH2 + CO 2.17E06 2.1 6.57 - C2H2 + O = HCCO + H 5.06E06 2.1 6.57 -! A/A overall: 0.2 295-2500 [94BAU/COB] -! k2/k=0.7+-0.2 -! -! - C2H2 + OH = C2H + H2O 6.00E13 0.00 54.04 -! C2H2+OH=>(H2O+C2H);(H+CH2CO);(C2H2OH) -! k(1+2)= 6.02E13 0.00 54.04 B/U 1.0 1000-2000 [94BAU/COB] -! channel#3 is important at low temperature and high pressure -! - C2H2 + M = C2H + H + M 1.14E17 0.00 447.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.5 1500-3500 [84WAR] (Ar) 4.00E16 0.00 447.00 -! - C2H4 + H = C2H3 + H2 5.42E14 0.00 62.36 -! A 0.5 700-2000 [94BAU/COB] -! - C2H4 + H (+M) = C2H5 (+M) 3.97E09 1.28 5.40 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! A 0.3 200-1100 [94BAU/COB] - LOW / 1.35E19 0.00 3.16 / -! scaled for He; the original data: -! 4.71E18 0.00 3.16 (He) A 0.3 300- 800 [94BAU/COB] - TROE / 0.76 40 1025/ -! (for He) A 0.1 300- 800 [94BAU/COB] -! - C2H4 + CH = C3H4 + H 1.32E14 0.00 -1.44 -! C2H4+CH=>(C3H4+H)(CH2+C2H3) -! B/U 1.0 200- 700 [94BAU/COB] -! - C2H4 + CH2(S) = C3H6 9.64E13 0.00 0.00 -! B 0.5 300-1000 [94BAU/COB] -! -! - C2H4 + CH3 = CH4 + C2H3 4.16E12 0.00 46.56 -! B 0.5 400-3000 [94BAU/COB] -! - C2H4 + O = H + CH2HCO 4.74E06 1.88 0.75 - C2H4 + O = CH3 + HCO 8.13E06 1.88 0.75 - C2H4 + O = CH2CO + H2 6.80E05 1.88 0.75 -! C2H4+O=>(H+CH2CHO);(HCO+CH3);(CH2O+CH2);CH2CO+H2) -! A/B overall: 0.3 300-2000 [94BAU/COB] -! k1/k= 0.35+-0.05 k2/k=0.6+-0.10 k3/k=0 k4/k=0.05+-0.10 -! - C2H4 + OH = C2H3 + H2O 2.05E13 0.00 24.86 -! B 0.5 650-1500 [94BAU/COB] -! - C2H4 + M = C2H2 + H2 + M 9.97E16 0.00 299.32 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.3 1500-3200 [94BAU/COB] (Ar) 3.49E16 0.00 299.32 -! - C2H4 + M = C2H3 + H + M 7.40E17 0.00 404.09 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.5 1500-3200 [94BAU/COB] (Ar,Kr) 2.59E17 0.00 404.09 -! - C2H6 + H = C2H5 + H2 1.45E09 1.5 31.01 -! A 0.3 300-2000 [94BAU/COB] -! - C2H6 + CH = C2H4 + CH3 1.08E14 0.00 -1.10 -! C2H6+CH=>(C2H4+CH3)(C3H6+H) -! B/U 1.0 200- 700 [94BAU/COB] -! - C2H6 + CH2(S) = CH3 + C2H5 2.40E14 0.00 0.00 -! D 1.0 298 [83LAN/PET] -! - C2H6 + CH3 = C2H5 + CH4 1.51E-7 6.0 25.30 -! A 0.2 300-1500 [94BAU/COB] -! - C2H6 + O = C2H5 + OH 1.00E09 1.5 24.28 -! A 0.15 300-1200 [94BAU/COB] -! - C2H6 + OH = C2H5 + H2O 7.23E06 2.00 3.62 -! A 0.1 250-2000 [94BAU/COB] -! - C2H6 + HO2 = H2O2 + C2H5 1.32E13 0.00 85.63 -! B 0.3 500-1000 [94BAU/COB] -! - C4H2 + O = C3H2 + CO 7.89E12 0.00 5.64 -! D 1.0 210- 423 [86MIT/NAV] -! - C4H2 + OH = C3H2 + HCO 6.68E12 0.00 -1.71 -! C4H2+OH=>(C3H2+HCO)(C4H+H2O) -! D/U 0.3 296- 688 [84PER] -! - O2 + CO = CO2 + O 1.26E13 0.00 196.90 -! F 0.7 1000-1400 [91KOI] -! - O2 + CH2O = HCO + HO2 6.02E13 0.00 170.11 -! B 0.5 700-1000 [94BAU/COB] -! - O2 + C = CO + O 1.20E14 0.00 16.71 -! F 0.18 1500-4200 [91DEA/DAV] -! - O2 + H + M = HO2 + M 2.10E18 -0.8 0.00 -N2/0.67/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/0.0/ CH4/3.0/ C2H6/3.0/ AR/0.29/ -! not scaled because rate data refer to H2 -! [94BAU/COB] gives 3rd body efficiencies for N2 and Ar -! B 0.5 300-2000 [94BAU/COB] (H2) 2.10E18 -0.8 0.00 -! - O2 + H + H2O = HO2 + H2O 6.89E15 0.0 -8.73 -! D 1.0 298- 639 [89HSU/AND] -! - O2 + H = OH + O 9.756E13 0.00 62.11 -! A 0.3 300-5000 [94BAU/COB] -! - O2 + CH = CO + OH 1.66E13 0.00 0.00 - O2 + CH = CO2 + H 1.66E13 0.00 0.00 -! O2+CH=>(CO+OH)(CO2+H)(HCO+O)(CO+H+O) -! k(overall)= 3.31E13 0.00 0.00 B/U 0.5 300-2000 [94BAU/COB] -! - O2 + CH2 = CO2 + H2 5.43E12 0.00 6.24 - O2 + CH2 = CO2 + H + H 5.43E12 0.00 6.24 - O2 + CH2 = CO + OH + H 8.15E12 0.00 6.24 - O2 + CH2 = CO + H2O 1.48E12 0.00 6.24 - O2 + CH2 = CH2O + O 4.20E12 0.00 6.24 -! O2+CH2=>(CO2+H2)(CO2+H+H)(CO+OH+H)(CO+H2O)(CH2O+O) -! k(overall)= 2.47E13 0.00 6.24 A 0.5 300-1000 [94BAU/COB] -! [94ALV/MOO] have measured the branching ratios at 298K: -! k(1+2)/k= 0.40+0.09-0.07; k(3+4)/k=0.34+-0.06; -! k(3)/k=0.30+-0.05; k(5)/k=0.16+-0.04 (The sum is 0.9) -! Based on the above numbers, the following branching ratios are used here: -! k(1)/k=0.22; k(2)/k=0.22; k(3)/k=0.33; k(4)/k=0.06; k(5)/k=0.17 -! - O2 + CH2(S) = CO + OH + H 3.13E13 0.00 0.00 -! O2+CH2(S)=>(CO+H+OH);(CO2+H2);(CO+H2O);(CH2+O2) -! k(overall)= 3.13E13 0.00 0.00 A/U 0.5 300-1000 [94BAU/COB] -! - O2 + CH3 = CH2O + OH 3.31E11 0.00 37.42 -! B 0.5 1000-2500 [94BAU/COB] -! -! - O2 + C2H = HCCO + O 9.05E12 0.00 0.00 - O2 + C2H = CO2 + CH 9.05E12 0.00 0.00 -! O2+C2H=>(HCCO+O)(CO2+CH);(2CO+H);(C2HO+O);(CO+HCO) -! k(overall)= 1.81E13 0.00 0.00 B/U 0.5 300 [94BAU/COB] -! According to the measurements of Seakins et al (unpublished) -! (HCCO+O)(CO2+CH) are the two most likely channels -! -! O2 + C2H3 = CH2O + HCO 5.42E12 0.00 0.00 - O2 + C2H3 = C2H2 + HO2 5.42E12 0.00 0.00 -! O2+C2H3=>(CH2O+HCO);(C2H2+HO2);(C2H3O+O) -! k(overall)= 5.42E12 0.00 0.00 B/U 0.5 300-2000 [94BAU/COB] -! (CH2O+HCO) seems to be the most important channel, but -! (C2H2+HO2) might be important at high temperature -! -! In order to get any sort of reasonable prediction of ignition delay times -! in ethane/O2/Ar mixtures, it was necessary to have the HO2+C2H2 product -! channel despite the lack of evidence for it. -! -! - O2 + C2H5 = C2H4 + HO2 1.02E10 0.00 -9.15 -! A 0.3 600-1200 [94BAU/COB] -! - O2 + C3H2 = HCO + HCCO 1.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - O2 + H2CCCH = CH2CO + HCO 3.01E10 0.00 12.00 -! D 1.0 500- 900 [88SLA/GUT] -! - O2 + HCO = HO2 + CO 3.01E12 0.00 0.00 -! O2+HCO=>(CO+HO2);(OH+CO2);(HCO3) -! k(overall)= 3.01E12 0.00 0.00 A/U 0.3 300-2500 [94BAU/COB] -! According to the measurements of Dobe et al. (unpublished) -! (HO2+CO) is the main channel until 600K -! - O2 + CH3O = CH2O + HO2 2.17E10 0.00 7.32 -! A 0.3 300-1000 [94BAU/COB] -! - O2 + CH2OH = CH2O + HO2 1.57E15 -1.00 0.00 -DUPLICATE - O2 + CH2OH = CH2O + HO2 7.23E13 0.00 14.97 -DUPLICATE -! A 0.3 300-1200 [94BAU/COB] -! The rate is given as the sum of two expressions, -! hence the reaction is duplicated. -! - O2 + HCCO = CO + CO + OH 1.63E12 0.00 3.58 -! O2+HCCO=>(2CO+OH);(C2O+HO2) -! k(overall)= 1.63E12 0.00 3.58 B/U 0.7 300-550 [94BAU/COB] -! - H2O2 + H = HO2 + H2 1.69E12 0.00 15.71 -! A 0.3 300-1000 [94BAU/COB] -! - H2O2 + H = OH + H2O 1.02E13 0.00 14.97 -! A 0.3 300-1000 [94BAU/COB] -! - H2O2 + O = OH + HO2 6.62E11 0.00 16.63 -! A 0.3 300- 500 [94BAU/COB] -! - H2O2 + OH = H2O + HO2 7.83E12 0.00 5.57 -! A 0.5 300-1000 [94BAU/COB] -! - OH + OH (+ M) = H2O2 (+ M) 7.23E13 -0.37 0.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! B 0.5 200-1500 [94BAU/COB] - LOW /5.53E19 -0.76 0.00 / -! scaled for N2; the original data: -! 2.21E19 -0.76 0.00 (N2) A 0.4 250-1400 [94BAU/COB] - TROE /1 1 1 1040/ -! A 0.2 200-1500 [94BAU/COB] (Fc=0.5 for Ar) -! There are alternative rate data in [94BAU/COB] for H2O as a bath gas -! - CO + O + M = CO2 + M 1.54E15 0.00 12.56 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for N2; the original data: -! B 0.4 300-2500 [86TSA/HAM] (N2) 6.17E14 0.00 12.56 -! - CO + OH = CO2 + H 1.66E07 1.30 -3.20 -! A 0.5 250-2000 [76BAU/DRY] increased by 10% -! -! The [94BAU/COB] suggests 6.32E06 1.5 -2.08 A 0.5 300-2000 -! but [94MCL/SMI] claims that the [94BAU/COB] evaluation is based on wrong -! flame velocity measurements and the data of [76BAU/DRY] give better -! description of accurate flame velocity measurements and are in better -! agreement to direct kinetic measurements. -! [76BAU/DRY] suggests: -! k(cm**3 mol**-1 s**-1)= 10**7.18 T**1.3 exp(+385/T) -! valid for 250-2000K, unc= +-20%(at 300K) - +-50%(above 1000K) -! Note, that this expression was misprinted in [76BAU/DRY] -! the [76BAU/DRY] value: -! CO + OH = CO2 + H 1.51E07 1.30 -3.20 -! -! (10/7/97) the [76BAU/DRY] was increased by 10% to describe CO+OH flame velocities. -! -! - CO + HO2 = CO2 + OH 1.51E14 0.00 99.02 -! B 0.3 300-2500 [86TSA/HAM] -! - CO + CH = HCCO 2.77E11 0.00 -7.15 -! CO+CH=>(HCCO)(H+C2O) -! B/U 1.0 300-1000 [94BAU/COB] -! - CO2 + CH = HCO + CO 3.43E12 0.00 2.87 -! CO2+CH=>(HCO+CO)(C2O+OH) -! B/U 1.0 300-1000 [94BAU/COB] -! - CO2 + CH2 = CH2O + CO 2.35E10 0.00 0.00 -! B 0.2 300-2500 [86TSA/HAM] -! - CH2O + H = HCO + H2 1.26E08 1.62 9.06 -! A 0.3 300-1700 [94BAU/COB] -! - CH2O + CH = CH2 + HCO 9.64E13 0.00 -2.16 -! CH2O+CH=>(CH2+HCO)(CH2CO+H)(CH2CHO) -! k(overall)= 9.64E13 0.00 -2.16 B/U 1.0 300-700 [94BAU/COB] -! - CH2O + CH3 = CH4 + HCO 7.83E-08 6.1 8.23 -! A 0.2 300-2000 [94BAU/COB] -! - CH2O + O = HCO + OH 4.16E11 0.57 11.56 -! A 0.3 250-2200 [94BAU/COB] -! - CH2O + OH = HCO + H2O 3.43E09 1.18 -1.87 -! A 0.5 300-3000 [94BAU/COB] -! - CH2O + HO2 = H2O2 + HCO 3.01E12 0.00 54.71 -! B 0.5 600-1000 [94BAU/COB] -! - CH2O + M = HCO + H + M 1.40E36 -5.54 404.58 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - CH2O + M = H2 + CO + M 3.26E36 -5.54 404.58 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! CH2O+M=>(HCO+H+M);(H2+CO+M) -! k(1+2; original)= 1.63E36 -5.54 404.58 B/B 0.3 1700-3200 [94BAU/COB] -! k(1+2; scaled)= 4.66E36 -5.54 404.58 -! k(2)/k= 0.7+-0.4 T=2000-3000K -! - CH2CO + H = CH3 + CO 1.81E13 0.00 14.13 -! CH2CO+H=>(CH3+CO)(CH2CHO)(H2+HCCO) -! k(overall)= 1.81E13 0.00 14.13 B/U 1.0 200-2000 [94BAU/COB] -! k2/k is considered small => channel#2 is neglected -! channel#3 may be important at high temperature -! - CH2CO + O = CH2 + CO2 1.33E12 0.00 5.65 - CH2CO + O = CH2O + CO 4.58E11 0.00 5.65 - CH2CO + O = HCO + H + CO 2.52E11 0.00 5.65 - CH2CO + O = HCO + HCO 2.52E11 0.00 5.65 -! CH2CO+O=>(CH2+CO2)(CH2O+CO)(HCO+H+CO)(HCO+HCO) -! k(overall)= 2.29E12 0.00 5.65 B/U 0.3 230-500 [94BAU/COB] -! Information about branching ratios: -! [83WAS/HAT] k(2)/k = 20%+-10% -! [92OEH] k(1)/k = 58%+-10% -! (0.5 k(3)+k(4))/k = 21%+-5% -! We use here k(1)/k= 0.58, k(2)/k= 0.20, k(3)/k= 0.11, and k(4)/k= 0.11 -! - CH2CO + OH = CH3 + CO2 2.52E12 0.00 0.00 - CH2CO + OH = CH2OH + CO 4.68E12 0.00 0.00 -! CH2CO+OH=>(CH3+CO2)(CH2OH+CO)(CH3O+CO)(HCO+CH2O)(HCCO+H2O)(CH2O+H+CO) -! k(overall)= 7.20E12 0.00 0.00 D/U 296 [92OEH/TEM] -! According to the measurements of [94GRU/NOL] -! k(2)/k=0.60+-0.10; k(4)/k<0.02; k(5)/k<0.01; estimated: k(1)/k= 0.25 -! We use here k(1)/k= 0.35 and k(2)/k= 0.65 -! - CH2CO + M = CH2 + CO + M 6.57E15 0.00 241.03 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! E 1.0 1650-1850 [86FRA/BHA] (Ar) 2.30E15 0.00 241.03 -! - CH2CO + M = HCCO + H + M 1.14E9 0.00 0.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! E 1.0 2000-2300 [86FRA/BHA] 4.00E8 0.00 0.00 -! - C + CH2 = C2H + H 5.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - C + CH3 = C2H2 + H 5.00E13 0.00 0.00 -! C+CH3=>(C2H2+H)(C2H+H2) -! U/U 1.0 [89MIL/BOW] -! - C + OH = CO + H 5.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - H + H + M = H2 + M 1.87E18 -1.00 0.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ H2/0.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.5 300-2500 [94BAU/COB] (Ar) 6.53E17 -1.00 0.00 -! - H + H + H2 = H2 + H2 9.79E16 -0.60 0.00 -! B 0.5 100-5000 [94BAU/COB] -! - H + CH = C + H2 8.43E12 0.00 0.00 -! D 1.0 297 [89BEC/ENG] -! - H + CH2 = CH + H2 6.02E12 0.00 -7.48 -! B 0.7 300-3000 [94BAU/COB] -! - H + CH2(S) = CH2 + H 2.00E14 0.00 0.00 -! H+CH2(S)=>(CH2+H)(CH+H2) -! U/U 1.0 [89MIL/BOW] -! - H + CH3 (+M) = CH4 (+M) 1.688E14 0.00 0.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - LOW / 1.408E24 -1.8 0.0 / -! The data of [94BAU/COB] gave too low methane flame velocities and -! therefore both the high-pressure and low-pressure A factors -! were decresased by 50%. - modified to 80% of cec recommendation -! when the error in CH3+OH=CH2(S)+H2O was corrected, along with going -! back to the original H+CH2OH=CH3+OH -! -! the original [94BAU/COB] data: -! 2.11E14 0.00 0.00 B 0.3 300-1000 [94BAU/COB] -! 6.17E23 -1.8 0.0 (Ar) /low pressure limit/ -! B 0.3 300-1000 [94BAU/COB] -! when scaled for Argon: -! LOW / 1.76E24 -1.8 0.0 / -! - TROE / 0.37 3315 61 / -! B 0.1 300-1000 [94BAU/COB] -!There are alternative rate data in [94BAU/COB] for He and C2H6 as bath gases -! - H + C2H3 = C2H2 + H2 1.20E13 0.00 0.00 -! B 0.5 300-2500 [94BAU/COB] -! - CH3 + CH3 = C2H5 + H 3.01E13 0.00 56.54 -! B 0.6 1300-2500 [94BAU/COB] -! - H + O + M = OH + M 1.18E19 -1.0 0.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for N2; the original data: -! S 0.7 300-2500 [86TSA/HAM] 4.71E18 -1.0 0.00 -! - H + OH + M = H2O + M 5.53E+22 -2.0 0.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/2.55/ CH4/3.0/ C2H6/3.0/ AR/0.15/ -! scaled for N2; the original data: -! B 0.5 300-3000 [94BAU/COB] 2.21E+22 -2.0 0.00 -!There are alternative rate data in [94BAU/COB] for H2O and Ar as bath gases -!The 3rd body efficiencies for H2O and Ar were deduced from these data -! - H + HO2 = H2 + O2 4.28E13 0.00 5.90 -! A 0.3 300-1000 [94BAU/COB] -! - H + HO2 = OH + OH 1.69E14 0.00 3.66 -! A 0.3 300-1000 [94BAU/COB] -! - H + HO2 = H2O + O 3.01E13 0.00 7.20 -! A 0.3 300-1000 [94BAU/COB] -! - H + HCO = CO + H2 9.03E13 0.00 0.00 -! A 0.3 300-2500 [94BAU/COB] -! - H + CH3O = CH2O + H2 1.81E13 0.00 0.00 -! A 0.5 300-1000 [94BAU/COB] -! -! -! -! -! H + CH2OH = CH3 + OH 1.15E14 0.00 6.00 - H + CH2OH = CH3 + OH 1.02E13 0.00 0.00 - H + CH2OH = CH2O + H2 3.08E13 0.00 0.00 -! -! the original data of Dobe et al [94DOB/BER] gave too low a flame velocity -!therefore the activation energy is increased to 6kJ/mol, an estimate of -!the theoretical maximum, while adjusting the A-factor to keep the same value -!for the room temperature measurement of this reaction. - Correcting the error -!in CH3+OH=CH2(S)+H2O meant that this alteration was no longer required in -!order to predict the stoichiometric methane/air flame velocity, so we went -!back to the original expression. -! -! The original data: -! -! H + CH2OH = CH3 + OH 1.02E13 0.00 0.00 -! H + CH2OH = CH2O + H2 3.08E13 0.00 0.00 -! H+CH2OH=>(CH3+OH)(CH2O+H2) -! k(overall)= 4.1E13 0.00 0.00 D 298 [94DOB/BER] -! k(1)/k= 0.25+-0.05 [94DOB/BER] -! - H + HCCO = CH2 + CO 1.51E14 0.00 0.00 -! B 0.4 300-2500 [94BAU/COB] -! - CH + CH2 = C2H2 + H 4.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - CH + CH3 = C2H3 + H 3.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - CH + C2H3 = CH2 + C2H2 5.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - CH + O = CO + H 3.97E13 0.00 0.00 -! A 0.5 300-2000 [94BAU/COB] -! - CH + OH = HCO + H 3.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - CH + HCCO = C2H2 + CO 5.00E13 0.00 0.00 -! CH+HCCO=>(C2H2+CO)(C2H+HCO) -! U/U 1.0 [89MIL/BOW] -! - CH2 + CH2 = C2H2 + H2 1.20E13 0.00 3.33 - CH2 + CH2 = C2H2 + H + H 1.08E14 0.00 3.33 -! CH2+CH2=>(C2H2+H2);(C2H2+H+H) -! k(overall)= 1.20E14 0.00 3.33 B/B 0.5 300-3000 [94BAU/COB] -! k2/k=0.9+-0.1 -! - CH2 + CH3 = C2H4 + H 4.22E13 0.00 0.00 -! B 0.4 300-3000 [94BAU/COB] -! - CH2 + C2H3 = C2H2 + CH3 1.81E13 0.00 0.00 -! S 0.5 300-2500 [86TSA/HAM] -! - CH2 + O = CO + H + H 7.20E13 0.00 0.00 - CH2 + O = CO + H2 4.80E13 0.00 0.00 -! CH2+O=>(CO+2H);(CO+H2) 1.20E14 0.00 0.00 -! A/B 0.7 300-2500 [94BAU/COB] -! k1/k=0.6+-0.3 -! - CH2 + OH = CH2O + H 1.81E13 0.00 0.00 -! U 0.5 300-2500 [86TSA/HAM] -! - CH2 + HCO = CH3 + CO 1.81E13 0.00 0.00 -! U 0.5 300-2500 [86TSA/HAM] -! - CH2 + HCCO = C2H3 + CO 3.00E13 0.00 0.00 -! U/U 1.0 [86GLA/MIL] -! - CH2 + HCCO = C2H + CH2O 1.00E13 0.00 8.37 -! U/U 1.0 [86GLA/MIL] -! - CH2(S) + M = CH2 + M 1.51E13 0.00 0.00 -N2/.4/ O2/.4/ CO/.75/ CO2/1.5/ H2O/6.5/ CH4/.48/ C2H2/3.2/ C2H4/1.6/ - C2H6/1.44/ AR/.24/ -! scaled for N2; the original data: -! B 0.3 300-2000 [94BAU/COB] 6.02E12 0.00 0.00 -! 3rd body efficiences for CH4,C2H2,C2H4,C2H6,Ar were taken from [94BAU/COB] -! - CH3 + CH3 (+M) = C2H6 (+M) 3.61E13 0.00 0.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! A 0.3 300-2000 [94BAU/COB] - LOW / 3.63E41 -7.0 11.56 / -! scaled for Ar; the original data: -! 1.27E41 -7.0 11.56 (Ar) A 0.3 300-2000 [94BAU/COB] - TROE / 0.62 73 1180 / -! A 0.1 300-2000 [94BAU/COB] -! - CH3 + O = CH2O + H 8.43E13 0.00 0.00 -! A 0.2 300-2500 [94BAU/COB] -! -! - CH3 + OH = CH2(S) + H2O 7.23E13 0.00 11.64 -! B 0.5 300-1000 [94BAU/COB] -! corrected factor of ten error on cec summary page -! -! - CH3 + HO2 = CH3O + OH 1.80E13 0.00 0.00 -! B 0.7 300-2500 [94BAU/COB] -! - CH3 + HCO = CH4 + CO 1.20E14 0.00 0.00 -! B 0.3 300-2500 [86TSA/HAM] -! - CH3 + M = CH2 + H + M 2.91E16 0.00 379.14 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.5 1500-3000 [94BAU/COB] (Ar) 1.02E16 0.00 379.14 -! - C2H + C2H3 = C2H2 + C2H2 1.90E13 0.00 0.00 -! S 0.5 300-2500 [86TSA/HAM] -!(The original [86TSA/HAM] rate estimation referred to the overall reaction.) -! - C2H + O = CH + CO 1.00E13 0.00 0.00 -! B 1.0 300-2500 [94BAU/COB] -! - C2H + OH = HCCO + H 2.00E13 0.00 0.00 -! U/U 1.0 [89MIL/BOW] -! -! C2H+OH=>CH2+CO 1.81E13 0.00 0.00 B* 0.7 300-2500 - C2H + OH = CH2 + CO 1.81E13 0.00 0.00 -! U/U 0.7 300-2500 [86TSA/HAM] -! - C2H3 + O = CO + CH3 3.00E13 0.00 0.00 -! C2H3+O=>(CO+CH3)(OH+C2H2)(HCO+CH2) -! B/U 0.5 300-2000 [94BAU/COB] -! probably channel#1 is dominant -! - C2H3 + OH = C2H2 + H2O 5.00E12 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - C2H5 + O = CH2O + CH3 6.62E13 0.00 0.00 -! C2H5+O=>(CH3CHO+H);(CH2O+CH3) -! k(overall)= 6.62E13 0.00 0.00 B/U 0.5 300-2500 [94BAU/COB] -! k2/k= 0.17+-0.2 at 300K -! This reaction produces mainly CH3CHO, at least near room temperature. -! However, we do not want to include CH3CHO in this mechanism. -! The overall rate is used for a good account of the removal of radicals -! C2H5 and O -! - H2CCCH + O = C2H2 + CO + H 1.39E14 0.00 0.00 -! D 1.0 295- 750 [91SLA/GUT] -! [91SLA/GUT] have suggested (C3H2O+H) as products, -! but a fast decomposition of C3H2O to C2H2 and CO is assumed. -! - H2CCCH + OH = C3H2 + H2O 2.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - H2CCCCH+M = C4H2 + H + M 1.12E16 0.00 194.62 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for N2; the original data: -! T 1.0 700-1300 [88DUR/AMO] 4.46E15 0.00 194.62 -! - O + O + M = O2 + M 5.40E13 0.00 -7.48 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! A 0.114 200-4000 [86TSA/HAM] (Ar) 1.89E13 0.00 -7.48 -! - O + HO2 = O2 + OH 3.19E13 0.00 0.00 -! A 0.5 300-1000 [94BAU/COB] -! - O + HCO = CO + OH 3.01E13 0.00 0.00 -! A 0.3 300-2500 [94BAU/COB] -! - O + HCO = CO2 + H 3.01E13 0.00 0.00 -! A 0.3 300-2500 [94BAU/COB] -! - O2 + CH3 = CH3O + O 4.40E13 0.00 131.37 -! B 0.5 300-2500 [94BAU/COB] -! reduced x3 from cec recommendation, improved ignition delay -! calculations in methane/oxygen/argon, (no effect in flame speed -! calculations) -! - O + CH3O = CH2O + OH 1.81E12 0.00 0.00 -! O+CH3O=>(O2+CH3)(OH+CH2O) 1.51E13 0.00 0.00 -! B/B 0.7 300-1000 [94BAU/COB] -! k2/k= 0.12+-0.1 at 300K -! - O + CH2OH = CH2O + OH 9.03E13 0.00 0.00 -! D 1.0 300 [88GRO/RIE2] -! - O + HCCO = H + CO + CO 9.64E13 0.00 0.00 -! A 0.3 300-2500 [94BAU/COB] -! - OH + OH = O + H2O 1.51E09 1.14 0.42 -! A 0.2 250-2500 [94BAU/COB] -! - OH + HO2 = H2O + O2 2.89E13 0.00 -2.08 -! A 0.5 300-2000 [94BAU/COB] -! - OH + HCO = H2O + CO 1.02E14 0.00 0.00 -! B 0.3 300-2500 [94BAU/COB] -! - OH + CH3O = CH2O + H2O 1.81E13 0.00 0.00 -! S 0.7 300-2500 [86TSA/HAM] -! - OH + CH2OH = CH2O + H2O 2.41E13 0.00 0.00 -! S 0.5 300-2500 [86TSA/HAM] -! The uncertainty of 0.3 suggested by [86TSA/HAM] was increased -! - OH + HCCO = HCO + HCO 1.00E13 0.00 0.00 - OH + HCCO = CH2O + CO 1.00E13 0.00 0.00 -! U/U 1.0 -! - HO2 + HO2 = H2O2 + O2 4.22E14 0.00 50.14 -DUPLICATE -! A 0.4 850-1250 [94BAU/COB] -! - HO2 + HO2 = H2O2 + O2 1.32E11 0.00 -6.82 -DUPLICATE -! A 0.15 550- 850 [94BAU/COB] -! - HCO + HCO = CH2O + CO 3.01E13 0.00 0.00 -! B 0.3 300 [94BAU/COB] -! - HCO + M = H + CO + M 4.49E14 0.00 65.93 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! A 0.5 600-2500 [94BAU/COB] (Ar) 1.57E14 0.00 65.93 -! - CH3O + M = CH2O + H + M 1.55E14 0.00 56.46 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.3 300-1700 [94BAU/COB] (Ar) 5.42E13 0.00 56.46 -! - CH2OH + M = CH2O + H + M 1.26E16 0.00 125.60 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! E 1.0 1372-1842 [89HID/OKI2] 4.40E15 0.00 125.60 -! - HCCO + HCCO = C2H2 + CO + CO 1.00E13 0.00 0.00 -! U/U 1.0 [89MIL/BOW] -! -!============================================================================ -! -! Data bases: -! -! NIST -! Mallard WG, Westley F, Herron JT, Hampson RF, Fizzell DH -! NIST Chemical Kinetics Database, ver 6.0 -! NIST Standard Reference Data, Gaithersburg, MD (1994) -! -! LEEDS -! Baulch DL -! Reaction Kinetics Database -! School of Chemistry, The University of Leeds -! -! -! Literature -! -! [94ALV/MOO] -! Alvarez RA, Moore CB -! J.Phys.Chem.,98,174-183(1994) -! -! [80ASH/FUL] -! Ashfold MNR., Fullstone MA, Hancock G, Ketley GW -! Chem.Phys.,55,245(1980) -! -! [94BAU/COB] -! Baulch DL, Cobos CJ, Cox RA, Frank P, Hayman G, Just TH, Kerr JA, Murrels T -! Pilling MJ, Troe J, Walker RW, Warnatz J -! Combust.Flame 98,59-79(1994) -! -! [76BAU/DRY] -! Baulch DL, Drysdale DD, Duxbury J, Grant S -! Evaluated Kinetic Data for High Temperature Reactions -! Butterworth, London, 1976, Vol.3 -! -! [89BEC/ENG] -! Becker KH, Engelhardt B, Wiesen P -! Chem.Phys.Lett., 154,342(1989) -! -! [85BOH/DOB] -! Bohland T, Dobe S, Temps F, Wagner HGg -! Ber.Bunsenges.Phys.Chem., 89, 1110(1985) -! -! [90COL/DES] -! Collin GJ, Deslauriers H, De Mare GR, Poirier RA -! J.Phys.Chem., 94, 134-141(1990) -! -! [91DEA/DAV] -! Dean AJ, Davidson DF, Hanson RK -! J.Phys.Chem.,95,183(1991) -! -! [94DOB/BER] -! Dobe S, Berces T, Temps F, Wagner HGg, Ziemer H -! J.Phys.Chem., 98, 9792-9800(1994) -! -! [94DOB/TUR] -! Dobe S, Turanyi T, Berces T, Marta F -! Abstracts of the 13th International Symposium on Gas Kinetics -! Dublin, 11-16th September, 1994 -! Paper D36 (pp.319-321), 1994 -! -! [88DUR/AMO] -! Duran RP, Amorebieta VT, Colussi AJ -! J.Phys.Chem., 92,636(1988) -! -! [86FRA/BHA] -! Frank P, Bhaskaran KA, Just Th -! J.Phys.Chem., 90,2226(1986) -! -! [86GLA/MIL] -! Glarborg P.,Miller JA, Kee RJ -! Combust Flame 65,177(1986) -! -! [92GRO/KEL] -! Grotheer HH, Kelm S, Driver HST, Hutcheon RJ, Lockett RD, Robertson GN -! Ber.Bunsenges.Phys.Chem.,96,1360-1376(1992) -! -! [88GRO/RIE2] -! Grotheer HH, Riekert G, Walter D, Just Th -! Chem.Phys.Lett.,148,530(1988) -! -! [94GRU/NOL] -! Grussdorf J, Nolte J, Temps F, Wagner HGg -! Ber.Bunsenges.Phys.Chem.,98,546-553(1994) -! -! [89HID/OKI2] -! Hidaka Y, Oki T, Kawano H -! J.Phys.Chem.,93,7134(1989) -! -! [89HSU/AND] -! Hsu KJ, Anderson SM, Durant JL, Kaufman F -! J.Phys.Chem.,93,1018-1021(1989) -! -! [91KOI] -! Koike T -! Bull.Chem.Soc.Jpn., 64,1726-1730(1991) -! -! [83LAN/PET] -! Langford AO, Petek H, Moore CB -! J.Chem.Phys.,78,6650(1983) -! -! [94MCL/SMI] -! McLean IC, Smith DB, Taylor SC -! Proceedings of the 25th Symposium (Int.) on Combustion -! The Combustion Institute, Pittsburgh, 1994, in press -! -! [89MIL/BOW] -! Miller JA, Bowman CT -! Prog.Energy Comb.Sci.,15,287(1989) -! -! [86MIT/NAV] -! Mitchell MB, Nava DF, Stief LJ -! J.Chem.Phys.,85,3300(1986) -! -! [92OEH] -! Oehlers C -! Ph.D. Thesis -! Max-Planck-Institute fur Stromungsforschung, Gottingen, 1992 -! -! [92OEH/TEM] -! Oehlers C, Temps F, Wagner HGg, Wolf M -! Ber.Bunsenges.Phys.Chem.,96,171(1992) -! -! [84PER] -! Perry RA -! Combust.Flame, 58,221(1984) -! -! [91SLA/GMU] -! Slagle IR, Gmurczyk GW, Batt L, Gutman D -! Proceedings of the 23rd Symposium (Int.) on Combustion -! The Combustion Institute, Pittsburgh, 1991, p.115-121 -! -! [88SLA/GUT] -! Slagle IR, Gutman D -! Proceedings of the 21st Symposium (Int.) on Combustion -! The Combustion Institute, Pittsburgh, 1988, p.875 -! -! [86TSA/HAM] -! Tsang W, Hampson RF -! J.Phys.Chem.Ref.Data,15,1087(1986) -! -! [84WAR] -! Warnatz J -! in: Combustion Chemistry (ed. W.C. Gardiner, Jr.) -! Springer, New York, 1984, p.197 -! -! [83WAS/HAT] -! Washida N, Hatakeyama S, Takagi H, Kyogoku T, Sato S -! J.Chem.Phys,78,4533-4540(1983) -! -END - diff --git a/output/RMG_database/kinetics_libraries/combustion_core/readme.txt b/output/RMG_database/kinetics_libraries/combustion_core/readme.txt deleted file mode 100644 index 6dd1bb9d23..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/readme.txt +++ /dev/null @@ -1,4 +0,0 @@ -units for A n E in Leeds - -A: mole/cm3/s or 1/s -E: kJ/mole \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version1/core.txt b/output/RMG_database/kinetics_libraries/combustion_core/version1/core.txt deleted file mode 100644 index 6674e38baf..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version1/core.txt +++ /dev/null @@ -1,83 +0,0 @@ -// part with CH - - CH4 + CH = C2H4 + H 3.01E13 0.00 -1.66 - C2H2 + CH = C2H + CH2 2.11E14 0.00 -0.51 - C2H4 + CH = C3H4 + H 1.32E14 0.00 -1.44 - C2H6 + CH = C2H4 + CH3 1.08E14 0.00 -1.10 - O2 + CH = CO + OH 1.66E13 0.00 0.00 - O2 + CH = CO2 + H 1.66E13 0.00 0.00 - O2 + C2H = CO2 + CH 9.05E12 0.00 0.00 - CO + CH = HCCO 2.77E11 0.00 -7.15 - CO2 + CH = HCO + CO 3.43E12 0.00 2.87 - CH2O + CH = CH2 + HCO 9.64E13 0.00 -2.16 - H + CH2 = CH + H2 6.02E12 0.00 -7.48 - CH + CH2 = C2H2 + H 4.00E13 0.00 0.00 - CH + CH3 = C2H3 + H 3.00E13 0.00 0.00 - CH + C2H3 = CH2 + C2H2 5.00E13 0.00 0.00 - CH + O = CO + H 3.97E13 0.00 0.00 - CH + OH = HCO + H 3.00E13 0.00 0.00 - CH + HCCO = C2H2 + CO 5.00E13 0.00 0.00 - C2H + O = CH + CO 1.00E13 0.00 0.00 - -// part with CH2 - - C2H + OH = CH2 + CO 1.81E13 0.00 0.00 - CH4 + CH2 = CH3 + CH3 4.30E12 0.00 42.00 - C2H2 + CH2 = C3H4 1.20E13 0.00 27.69 - C2H2 + O = CH2 + CO 2.17E06 2.1 6.57 - O2 + CH2 = CO2 + H2 5.43E12 0.00 6.24 - O2 + CH2 = CO + H2O 1.48E12 0.00 6.24 - O2 + CH2 = CH2O + O 4.20E12 0.00 6.24 - CO2 + CH2 = CH2O + CO 2.35E10 0.00 0.00 - CH2CO + O = CH2 + CO2 1.33E12 0.00 5.65 - CH2CO + M = CH2 + CO + M 6.57E15 0.00 241.03 - H + CH2(S) = CH2 + H 2.00E14 0.00 0.00 - H + HCCO = CH2 + CO 1.51E14 0.00 0.00 - CH2 + CH2 = C2H2 + H2 1.20E13 0.00 3.33 - CH2 + CH3 = C2H4 + H 4.22E13 0.00 0.00 - CH2 + C2H3 = C2H2 + CH3 1.81E13 0.00 0.00 - CH2 + O = CO + H2 4.80E13 0.00 0.00 - CH2 + OH = CH2O + H 1.81E13 0.00 0.00 - CH2 + HCO = CH3 + CO 1.81E13 0.00 0.00 - CH2 + HCCO = C2H3 + CO 3.00E13 0.00 0.00 - CH2 + HCCO = C2H + CH2O 1.00E13 0.00 8.37 - CH2(S) + M = CH2 + M 1.51E13 0.00 0.00 - CH3 + M = CH2 + H + M 2.91E16 0.00 379.14 - CH4 + CH2(S) = CH3 + CH3 7.00E13 0.00 0.00 - C2H2 + CH2(S) = H2CCCH + H 1.75E14 0.00 0.00 - C2H4 + CH2(S) = C3H6 9.64E13 0.00 0.00 - C2H6 + CH2(S) = CH3 + C2H5 2.40E14 0.00 0.00 - CH3 + OH = CH2(S) + H2O 7.23E13 0.00 11.64 - H2 + CH2(S) = CH3 + H 7.23E13 0.00 0.00 - -// part with CO - C2H3 + O = CO + CH3 3.00E13 0.00 0.00 - O + HCO = CO + OH 3.01E13 0.00 0.00 - OH + HCO = H2O + CO 1.02E14 0.00 0.00 - OH + HCCO = CH2O + CO 1.00E13 0.00 0.00 - HCO + HCO = CH2O + CO 3.01E13 0.00 0.00 - HCO + M = H + CO + M 4.49E14 0.00 65.93 - C4H2 + O = C3H2 + CO 7.89E12 0.00 5.64 - O2 + CO = CO2 + O 1.26E13 0.00 196.90 - O2 + HCO = HO2 + CO 3.01E12 0.00 0.00 - CO + OH = CO2 + H 1.66E07 1.30 -3.20 - CO + HO2 = CO2 + OH 1.51E14 0.00 99.02 - CH2O + M = H2 + CO + M 3.26E36 -5.54 404.58 - CH2CO + H = CH3 + CO 1.81E13 0.00 14.13 - CH2CO + O = CH2O + CO 4.58E11 0.00 5.65 - CH2CO + OH = CH2OH + CO 4.68E12 0.00 0.00 - H + HCO = CO + H2 9.03E13 0.00 0.00 - CH3 + HCO = CH4 + CO 1.20E14 0.00 0.00 - -// part with CO2 - - O + HCO = CO2 + H 3.01E13 0.00 0.00 - CO + O + M = CO2 + M 1.54E15 0.00 12.56 - CH2CO + OH = CH3 + CO2 2.52E12 0.00 0.00 - -// others - - C2H2 + C2H2 = H2CCCCH+ H 2.00E09 0.00 242.00 -! 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E 1.0 1650-1850 [86FRA/BHA] (Ar) 2.30E15 0.00 241.03 -! - HCO + M = H + CO + M 4.49E14 0.00 65.93 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! A 0.5 600-2500 [94BAU/COB] (Ar) 1.57E14 0.00 65.93 -! - CH2(S) + M = CH2 + M 1.51E13 0.00 0.00 -N2/.4/ O2/.4/ CO/.75/ CO2/1.5/ H2O/6.5/ CH4/.48/ C2H2/3.2/ C2H4/1.6/ - C2H6/1.44/ AR/.24/ -! scaled for N2; the original data: -! B 0.3 300-2000 [94BAU/COB] 6.02E12 0.00 0.00 -! 3rd body efficiences for CH4,C2H2,C2H4,C2H6,Ar were taken from [94BAU/COB] -! - CH3 + M = CH2 + H + M 2.91E16 0.00 379.14 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.5 1500-3000 [94BAU/COB] (Ar) 1.02E16 0.00 379.14 -! - C2H4 + M = C2H2 + H2 + M 9.97E16 0.00 299.32 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.3 1500-3200 [94BAU/COB] (Ar) 3.49E16 0.00 299.32 -! - O + O + M = O2 + M 5.40E13 0.00 -7.48 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! A 0.114 200-4000 [86TSA/HAM] (Ar) 1.89E13 0.00 -7.48 -! diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version2/3rdBodyReactions_simplified.txt b/output/RMG_database/kinetics_libraries/combustion_core/version2/3rdBodyReactions_simplified.txt deleted file mode 100644 index 6133feeac9..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version2/3rdBodyReactions_simplified.txt +++ /dev/null @@ -1,32 +0,0 @@ -// small molecule oxidation library, third body reaction file, version 2, JS, August 6, 2003 -// originally from Leeds methane oxidation mechanism v1.5 -// http://www.chem.leeds.ac.uk/Combustion/Combustion.html -// simplify this by using only one set of coefficient for every rxn - -Coefficients: -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - CO + O + M = CO2 + M 1.54E15 0.00 12.56 - - CH2O + M = HCO + H + M 1.40E36 -5.54 404.58 - - CH2O + M = H2 + CO + M 3.26E36 -5.54 404.58 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - CH2CO + M = CH2 + CO + M 6.57E15 0.00 241.03 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - HCO + M = H + CO + M 4.49E14 0.00 65.93 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - CH2(S) + M = CH2 + M 1.51E13 0.00 0.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/0.48/ C2H2/3.2/ C2H4/1.6/ C2H6/1.44/ AR/0.24/ - - CH3 + M = CH2 + H + M 2.91E16 0.00 379.14 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - C2H4 + M = C2H2 + H2 + M 9.97E16 0.00 299.32 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - O + O + M = O2 + M 5.40E13 0.00 -7.48 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version2/OxidationLibrary.zip b/output/RMG_database/kinetics_libraries/combustion_core/version2/OxidationLibrary.zip deleted file mode 100644 index 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a/output/RMG_database/kinetics_libraries/combustion_core/version2/pdepreactions.txt b/output/RMG_database/kinetics_libraries/combustion_core/version2/pdepreactions.txt deleted file mode 100644 index 6153d5b746..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version2/pdepreactions.txt +++ /dev/null @@ -1,38 +0,0 @@ -// small molecule oxidation library, third body reaction file, version 2, JS, August 6, 2003 -// originally from Leeds methane oxidation mechanism v1.5 -// http://www.chem.leeds.ac.uk/Combustion/Combustion.html - -Unit: -A: mol/cm3/s -E: kJ/mol - -Reactions: - CO + O + M = CO2 + M 1.54E15 0.00 12.56 0.0 0.0 0.0 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - CH2O + M = HCO + H + M 1.40E36 -5.54 404.58 0.0 0.0 0.0 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - CH2O + M = H2 + CO + M 3.26E36 -5.54 404.58 0.0 0.0 0.0 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - CH2CO + M = CH2 + CO + M 6.57E15 0.00 241.03 0.0 0.0 0.0 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - HCO + M = H + CO + M 4.49E14 0.00 65.93 0.0 0.0 0.0 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - CH2(S) + M = CH2 + M 1.51E13 0.00 0.00 0.0 0.0 0.0 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/0.48/ C2H2/3.2/ C2H4/1.6/ C2H6/1.44/ AR/0.24/ - - CH3 + M = CH2 + H + M 2.91E16 0.00 379.14 0.0 0.0 0.0 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - C2H4 + M = C2H2 + H2 + M 9.97E16 0.00 299.32 0.0 0.0 0.0 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - O + O + M = O2 + M 5.40E13 0.00 -7.48 0.0 0.0 0.0 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - O2 + H + M = HO2 + M 2.10E18 -0.8 0.00 0.0 0.0 0.0 -N2/0.67/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/0.0/ CH4/3.0/ C2H6/3.0/ AR/0.29/ diff --git 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z+p%b`jbHY|34QUBh%VyVuX0JjuSNH#UvMMc+I%CtY|0m2H(=RjoGBiilzREH` zk^NFiVKXISes9yRxGfxNIq{3crS1+l|0^Uosl04uXuYh^&8)vYu=Laszs>t_F0{C1@LyiB(nr_fwyxE_BJ|VQ-TeP26Ap zt=`-Humd0Fjr)s#s9;2PN6Pm2(_K71G7>1E^hb?1btl_)OZ%O*)~zYkHo(6&@7F%T h^3}5bjZ?ZZ%W=qF57nvvslWI0Lup>|+Q&fx{~z)aADaLG diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version2/reactions.txt b/output/RMG_database/kinetics_libraries/combustion_core/version2/reactions.txt deleted file mode 100644 index e98046e7ac..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version2/reactions.txt +++ /dev/null @@ -1,116 +0,0 @@ -// small molecule oxidation library, reaction file, version 2, JS, August 6, 2003 -// originally from Leeds methane oxidation mechanism v1.5 -// http://www.chem.leeds.ac.uk/Combustion/Combustion.html - -Unit: -A: mol/cm3/s -E: kJ/mol - -Reactions: -// part with CO - C2H2 + O = CH2 + CO 2.17E06 2.1 6.57 0.0 0.0 0.0 - C2H2 + O = HCCO + H 5.06E06 2.1 6.57 0.0 0.0 0.0 - C4H2 + O = C3H2 + CO 7.89E12 0.00 5.64 0.0 0.0 0.0 - O2 + CO = CO2 + O 1.26E13 0.00 196.90 0.0 0.0 0.0 - O2 + CH = CO + OH 1.66E13 0.00 0.00 0.0 0.0 0.0 - O2 + CH = CO2 + H 1.66E13 0.00 0.00 0.0 0.0 0.0 - O2 + CH2 = CO2 + H2 5.43E12 0.00 6.24 0.0 0.0 0.0 - O2 + CH2 = CO2 + H + H 5.43E12 0.00 6.24 0.0 0.0 0.0 - O2 + CH2 = CO + OH + H 8.15E12 0.00 6.24 0.0 0.0 0.0 - O2 + CH2 = CO + H2O 1.48E12 0.00 6.24 0.0 0.0 0.0 - O2 + CH2 = CH2O + O 4.20E12 0.00 6.24 0.0 0.0 0.0 - O2 + CH2(S) = CO + OH + H 3.13E13 0.00 0.00 0.0 0.0 0.0 - O2 + HCO = HO2 + CO 3.01E12 0.00 0.00 0.0 0.0 0.0 - O2 + HCCO = CO + CO + OH 1.63E12 0.00 3.58 0.0 0.0 0.0 - CO + OH = CO2 + H 1.66E07 1.30 -3.20 0.0 0.0 0.0 - CO + HO2 = CO2 + OH 1.51E14 0.00 99.02 0.0 0.0 0.0 - CO + CH = HCCO 2.77E11 0.00 -7.15 0.0 0.0 0.0 - CO2 + CH = HCO + CO 3.43E12 0.00 2.87 0.0 0.0 0.0 - CO2 + CH2 = CH2O + CO 2.35E10 0.00 0.00 0.0 0.0 0.0 - CH2CO + H = CH3 + CO 1.81E13 0.00 14.13 0.0 0.0 0.0 - CH2CO + O = CH2 + CO2 1.33E12 0.00 5.65 0.0 0.0 0.0 - CH2CO + O = CH2O + CO 4.58E11 0.00 5.65 0.0 0.0 0.0 - CH2CO + O = HCO + H + CO 2.52E11 0.00 5.65 0.0 0.0 0.0 - CH2CO + O = HCO + HCO 2.52E11 0.00 5.65 0.0 0.0 0.0 - CH2CO + OH = CH3 + CO2 2.52E12 0.00 0.00 0.0 0.0 0.0 - CH2CO + OH = CH2OH + CO 4.68E12 0.00 0.00 0.0 0.0 0.0 - H + HCO = CO + H2 9.03E13 0.00 0.00 0.0 0.0 0.0 - H + HCCO = CH2 + CO 1.51E14 0.00 0.00 0.0 0.0 0.0 - CH + O = CO + H 3.97E13 0.00 0.00 0.0 0.0 0.0 - CH3 + HCO = CH4 + CO 1.20E14 0.00 0.00 0.0 0.0 0.0 - C2H + O = CH + CO 1.00E13 0.00 0.00 0.0 0.0 0.0 - C2H + OH = CH2 + CO 1.81E13 0.00 0.00 0.0 0.0 0.0 - C2H3 + O = CO + CH3 3.00E13 0.00 0.00 0.0 0.0 0.0 - H2CCCH + O = C2H2 + CO + H 1.39E14 0.00 0.00 0.0 0.0 0.0 - O + HCO = CO + OH 3.01E13 0.00 0.00 0.0 0.0 0.0 - O + HCCO = H + CO + CO 9.64E13 0.00 0.00 0.0 0.0 0.0 - OH + HCO = H2O + CO 1.02E14 0.00 0.00 0.0 0.0 0.0 - OH + HCCO = HCO + HCO 1.00E13 0.00 0.00 0.0 0.0 0.0 - OH + HCCO = CH2O + CO 1.00E13 0.00 0.00 0.0 0.0 0.0 - HCO + HCO = CH2O + CO 3.01E13 0.00 0.00 0.0 0.0 0.0 - HCCO + HCCO = C2H2 + CO + CO 1.00E13 0.00 0.00 0.0 0.0 0.0 - CH + HCCO = C2H2 + CO 5.00E13 0.00 0.00 0.0 0.0 0.0 - CH2 + O = CO + H + H 7.20E13 0.00 0.00 0.0 0.0 0.0 - CH2 + O = CO + H2 4.80E13 0.00 0.00 0.0 0.0 0.0 - CH2 + HCO = CH3 + CO 1.81E13 0.00 0.00 0.0 0.0 0.0 - CH2 + HCCO = C2H3 + CO 3.00E13 0.00 0.00 0.0 0.0 0.0 - -// part with CO2 - O2 + C2H = CO2 + CH 9.05E12 0.00 0.00 0.0 0.0 0.0 - O + HCO = CO2 + H 3.01E13 0.00 0.00 0.0 0.0 0.0 - -// part with CH - CH4 + CH = C2H4 + H 3.01E13 0.00 -1.66 0.0 0.0 0.0 - C2H2 + CH = C2H + CH2 2.11E14 0.00 -0.51 0.0 0.0 0.0 - C2H4 + CH = C3H4 + H 1.32E14 0.00 -1.44 0.0 0.0 0.0 - C2H6 + CH = C2H4 + CH3 1.08E14 0.00 -1.10 0.0 0.0 0.0 - CH2O + CH = CH2 + HCO 9.64E13 0.00 -2.16 0.0 0.0 0.0 - H + CH2 = CH + H2 6.02E12 0.00 -7.48 0.0 0.0 0.0 - CH + CH2 = C2H2 + H 4.00E13 0.00 0.00 0.0 0.0 0.0 - CH + CH3 = C2H3 + H 3.00E13 0.00 0.00 0.0 0.0 0.0 - CH + C2H3 = CH2 + C2H2 5.00E13 0.00 0.00 0.0 0.0 0.0 - CH + OH = HCO + H 3.00E13 0.00 0.00 0.0 0.0 0.0 - -// part with CH2 and CH2(S) - CH2 + CH2 = C2H2 + H2 1.20E13 0.00 3.33 0.0 0.0 0.0 - CH2 + CH2 = C2H2 + H + H 1.08E14 0.00 3.33 0.0 0.0 0.0 - CH2 + CH3 = C2H4 + H 4.22E13 0.00 0.00 0.0 0.0 0.0 - CH2 + C2H3 = C2H2 + CH3 1.81E13 0.00 0.00 0.0 0.0 0.0 - CH2 + OH = CH2O + H 1.81E13 0.00 0.00 0.0 0.0 0.0 - CH2 + HCCO = C2H + CH2O 1.00E13 0.00 8.37 0.0 0.0 0.0 - CH4 + CH2 = CH3 + CH3 4.30E12 0.00 42.00 0.0 0.0 0.0 - CH4 + CH2(S) = CH3 + CH3 7.00E13 0.00 0.00 0.0 0.0 0.0 - C2H2 + CH2 = C3H4 1.20E13 0.00 27.69 0.0 0.0 0.0 - C2H2 + CH2(S) = H2CCCH + H 1.75E14 0.00 0.00 0.0 0.0 0.0 - H + CH2(S) = CH2 + H 2.00E14 0.00 0.00 0.0 0.0 0.0 - H2 + CH2(S) = CH3 + H 7.23E13 0.00 0.00 0.0 0.0 0.0 - C2H4 + CH2(S) = C3H6 9.64E13 0.00 0.00 0.0 0.0 0.0 - C2H6 + CH2(S) = CH3 + C2H5 2.40E14 0.00 0.00 0.0 0.0 0.0 - CH3 + OH = CH2(S) + H2O 7.23E13 0.00 11.64 0.0 0.0 0.0 - -// others - C2H2 + C2H2 = H2CCCCH+ H 2.00E09 0.00 242.00 0.0 0.0 0.0 - C2H2 + C2H = C4H2 + H 9.03E13 0.00 0.00 0.0 0.0 0.0 - C2H4 + O = H + CH2HCO 4.74E06 1.88 0.75 0.0 0.0 0.0 - C2H4 + O = CH3 + HCO 8.13E06 1.88 0.75 0.0 0.0 0.0 - C2H4 + O = CH2CO + H2 6.80E05 1.88 0.75 0.0 0.0 0.0 - C4H2 + OH = C3H2 + HCO 6.68E12 0.00 -1.71 0.0 0.0 0.0 - O2 + H + H2O = HO2 + H2O 6.89E15 0.0 -8.73 0.0 0.0 0.0 - O2 + H = OH + O 9.756E13 0.00 62.11 0.0 0.0 0.0 - O2 + CH3 = CH2O + OH 3.31E11 0.00 37.42 0.0 0.0 0.0 - O2 + C2H = HCCO + O 9.05E12 0.00 0.00 0.0 0.0 0.0 - O2 + C3H2 = HCO + HCCO 1.00E13 0.00 0.00 0.0 0.0 0.0 - O2 + H2CCCH = CH2CO + HCO 3.01E10 0.00 12.00 0.0 0.0 0.0 - H2O2 + H = OH + H2O 1.02E13 0.00 14.97 0.0 0.0 0.0 - CH3 + CH3 = C2H5 + H 3.01E13 0.00 56.54 0.0 0.0 0.0 - H + HO2 = OH + OH 1.69E14 0.00 3.66 0.0 0.0 0.0 - H + HO2 = H2O + O 3.01E13 0.00 7.20 0.0 0.0 0.0 - H + CH2OH = CH3 + OH 1.02E13 0.00 0.00 0.0 0.0 0.0 - CH3 + O = CH2O + H 8.43E13 0.00 0.00 0.0 0.0 0.0 - CH3 + HO2 = CH3O + OH 1.80E13 0.00 0.00 0.0 0.0 0.0 - C2H + OH = HCCO + H 2.00E13 0.00 0.00 0.0 0.0 0.0 - C2H5 + O = CH2O + CH3 6.62E13 0.00 0.00 0.0 0.0 0.0 - O2 + CH3 = CH3O + O 4.40E13 0.00 131.37 0.0 0.0 0.0 - OH + OH = O + H2O 1.51E09 1.14 0.42 0.0 0.0 0.0 - - diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version2/reactions_comments.txt b/output/RMG_database/kinetics_libraries/combustion_core/version2/reactions_comments.txt deleted file mode 100644 index b0a6a60cc2..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version2/reactions_comments.txt +++ /dev/null @@ -1,347 +0,0 @@ -// part with CO - C2H2 + O = CH2 + CO 2.17E06 2.1 6.57 - C2H2 + O = HCCO + H 5.06E06 2.1 6.57 -! A/A overall: 0.2 295-2500 [94BAU/COB] -! k2/k=0.7+-0.2 -! -! - C4H2 + O = C3H2 + CO 7.89E12 0.00 5.64 -! D 1.0 210- 423 [86MIT/NAV] -! - O2 + CO = CO2 + O 1.26E13 0.00 196.90 -! F 0.7 1000-1400 [91KOI] -! - O2 + CH = CO + OH 1.66E13 0.00 0.00 - O2 + CH = CO2 + H 1.66E13 0.00 0.00 -! O2+CH=>(CO+OH)(CO2+H)(HCO+O)(CO+H+O) -! k(overall)= 3.31E13 0.00 0.00 B/U 0.5 300-2000 [94BAU/COB] -! - O2 + CH2 = CO2 + H2 5.43E12 0.00 6.24 - O2 + CH2 = CO2 + H + H 5.43E12 0.00 6.24 - O2 + CH2 = CO + OH + H 8.15E12 0.00 6.24 - O2 + CH2 = CO + H2O 1.48E12 0.00 6.24 - O2 + CH2 = CH2O + O 4.20E12 0.00 6.24 -! O2+CH2=>(CO2+H2)(CO2+H+H)(CO+OH+H)(CO+H2O)(CH2O+O) -! k(overall)= 2.47E13 0.00 6.24 A 0.5 300-1000 [94BAU/COB] -! [94ALV/MOO] have measured the branching ratios at 298K: -! k(1+2)/k= 0.40+0.09-0.07; k(3+4)/k=0.34+-0.06; -! k(3)/k=0.30+-0.05; k(5)/k=0.16+-0.04 (The sum is 0.9) -! Based on the above numbers, the following branching ratios are used here: -! k(1)/k=0.22; k(2)/k=0.22; k(3)/k=0.33; k(4)/k=0.06; k(5)/k=0.17 -! - O2 + CH2(S) = CO + OH + H 3.13E13 0.00 0.00 -! O2+CH2(S)=>(CO+H+OH);(CO2+H2);(CO+H2O);(CH2+O2) -! k(overall)= 3.13E13 0.00 0.00 A/U 0.5 300-1000 [94BAU/COB] -! - O2 + HCO = HO2 + CO 3.01E12 0.00 0.00 -! O2+HCO=>(CO+HO2);(OH+CO2);(HCO3) -! k(overall)= 3.01E12 0.00 0.00 A/U 0.3 300-2500 [94BAU/COB] -! According to the measurements of Dobe et al. (unpublished) -! (HO2+CO) is the main channel until 600K -! - O2 + HCCO = CO + CO + OH 1.63E12 0.00 3.58 -! O2+HCCO=>(2CO+OH);(C2O+HO2) -! k(overall)= 1.63E12 0.00 3.58 B/U 0.7 300-550 [94BAU/COB] -! - CO + OH = CO2 + H 1.66E07 1.30 -3.20 -! A 0.5 250-2000 [76BAU/DRY] increased by 10% -! -! The [94BAU/COB] suggests 6.32E06 1.5 -2.08 A 0.5 300-2000 -! but [94MCL/SMI] claims that the [94BAU/COB] evaluation is based on wrong -! flame velocity measurements and the data of [76BAU/DRY] give better -! description of accurate flame velocity measurements and are in better -! agreement to direct kinetic measurements. -! [76BAU/DRY] suggests: -! k(cm**3 mol**-1 s**-1)= 10**7.18 T**1.3 exp(+385/T) -! valid for 250-2000K, unc= +-20%(at 300K) - +-50%(above 1000K) -! Note, that this expression was misprinted in [76BAU/DRY] -! the [76BAU/DRY] value: -! CO + OH = CO2 + H 1.51E07 1.30 -3.20 -! -! (10/7/97) the [76BAU/DRY] was increased by 10% to describe CO+OH flame velocities. -! -! - CO + HO2 = CO2 + OH 1.51E14 0.00 99.02 -! B 0.3 300-2500 [86TSA/HAM] -! - CO + CH = HCCO 2.77E11 0.00 -7.15 -! CO+CH=>(HCCO)(H+C2O) -! B/U 1.0 300-1000 [94BAU/COB] -! - CO2 + CH = HCO + CO 3.43E12 0.00 2.87 -! CO2+CH=>(HCO+CO)(C2O+OH) -! B/U 1.0 300-1000 [94BAU/COB] -! - CO2 + CH2 = CH2O + CO 2.35E10 0.00 0.00 -! B 0.2 300-2500 [86TSA/HAM] -! - - CH2CO + H = CH3 + CO 1.81E13 0.00 14.13 -! CH2CO+H=>(CH3+CO)(CH2CHO)(H2+HCCO) -! k(overall)= 1.81E13 0.00 14.13 B/U 1.0 200-2000 [94BAU/COB] -! k2/k is considered small => channel#2 is neglected -! channel#3 may be important at high temperature -! - CH2CO + O = CH2 + CO2 1.33E12 0.00 5.65 - CH2CO + O = CH2O + CO 4.58E11 0.00 5.65 - CH2CO + O = HCO + H + CO 2.52E11 0.00 5.65 - CH2CO + O = HCO + HCO 2.52E11 0.00 5.65 -! CH2CO+O=>(CH2+CO2)(CH2O+CO)(HCO+H+CO)(HCO+HCO) -! k(overall)= 2.29E12 0.00 5.65 B/U 0.3 230-500 [94BAU/COB] -! Information about branching ratios: -! [83WAS/HAT] k(2)/k = 20%+-10% -! [92OEH] k(1)/k = 58%+-10% -! (0.5 k(3)+k(4))/k = 21%+-5% -! We use here k(1)/k= 0.58, k(2)/k= 0.20, k(3)/k= 0.11, and k(4)/k= 0.11 -! - CH2CO + OH = CH3 + CO2 2.52E12 0.00 0.00 - CH2CO + OH = CH2OH + CO 4.68E12 0.00 0.00 -! CH2CO+OH=>(CH3+CO2)(CH2OH+CO)(CH3O+CO)(HCO+CH2O)(HCCO+H2O)(CH2O+H+CO) -! k(overall)= 7.20E12 0.00 0.00 D/U 296 [92OEH/TEM] -! According to the measurements of [94GRU/NOL] -! k(2)/k=0.60+-0.10; k(4)/k<0.02; k(5)/k<0.01; estimated: k(1)/k= 0.25 -! We use here k(1)/k= 0.35 and k(2)/k= 0.65 -! - H + HCO = CO + H2 9.03E13 0.00 0.00 -! A 0.3 300-2500 [94BAU/COB] -! - H + HCCO = CH2 + CO 1.51E14 0.00 0.00 -! B 0.4 300-2500 [94BAU/COB] -! - CH + O = CO + H 3.97E13 0.00 0.00 -! A 0.5 300-2000 [94BAU/COB] -! - CH3 + HCO = CH4 + CO 1.20E14 0.00 0.00 -! B 0.3 300-2500 [86TSA/HAM] -! - C2H + O = CH + CO 1.00E13 0.00 0.00 -! B 1.0 300-2500 [94BAU/COB] -! - C2H + OH = CH2 + CO 1.81E13 0.00 0.00 -! U/U 0.7 300-2500 [86TSA/HAM] -! -! C2H+OH=>CH2+CO 1.81E13 0.00 0.00 B* 0.7 300-2500 - C2H3 + O = CO + CH3 3.00E13 0.00 0.00 -! C2H3+O=>(CO+CH3)(OH+C2H2)(HCO+CH2) -! B/U 0.5 300-2000 [94BAU/COB] -! probably channel#1 is dominant -! - H2CCCH + O = C2H2 + CO + H 1.39E14 0.00 0.00 -! D 1.0 295- 750 [91SLA/GUT] -! [91SLA/GUT] have suggested (C3H2O+H) as products, -! but a fast decomposition of C3H2O to C2H2 and CO is assumed. -! - O + HCO = CO + OH 3.01E13 0.00 0.00 -! A 0.3 300-2500 [94BAU/COB] -! - O + HCCO = H + CO + CO 9.64E13 0.00 0.00 -! A 0.3 300-2500 [94BAU/COB] -! - OH + HCO = H2O + CO 1.02E14 0.00 0.00 -! B 0.3 300-2500 [94BAU/COB] -! - OH + HCCO = HCO + HCO 1.00E13 0.00 0.00 - OH + HCCO = CH2O + CO 1.00E13 0.00 0.00 -! U/U 1.0 -! - HCO + HCO = CH2O + CO 3.01E13 0.00 0.00 -! B 0.3 300 [94BAU/COB] -! - HCCO + HCCO = C2H2 + CO + CO 1.00E13 0.00 0.00 -! U/U 1.0 [89MIL/BOW] -! - CH + HCCO = C2H2 + CO 5.00E13 0.00 0.00 -! CH+HCCO=>(C2H2+CO)(C2H+HCO) -! U/U 1.0 [89MIL/BOW] -! - CH2 + O = CO + H + H 7.20E13 0.00 0.00 - CH2 + O = CO + H2 4.80E13 0.00 0.00 -! CH2+O=>(CO+2H);(CO+H2) 1.20E14 0.00 0.00 -! A/B 0.7 300-2500 [94BAU/COB] -! k1/k=0.6+-0.3 -! - CH2 + HCO = CH3 + CO 1.81E13 0.00 0.00 -! U 0.5 300-2500 [86TSA/HAM] -! - CH2 + HCCO = C2H3 + CO 3.00E13 0.00 0.00 -! U/U 1.0 [86GLA/MIL] -! -// part with CO2 - O2 + C2H = CO2 + CH 9.05E12 0.00 0.00 -! O2+C2H=>(HCCO+O)(CO2+CH);(2CO+H);(C2HO+O);(CO+HCO) -! k(overall)= 1.81E13 0.00 0.00 B/U 0.5 300 [94BAU/COB] -! According to the measurements of Seakins et al (unpublished) -! (HCCO+O)(CO2+CH) are the two most likely channels -! -! O2 + C2H3 = CH2O + HCO 5.42E12 0.00 0.00 - O + HCO = CO2 + H 3.01E13 0.00 0.00 -! A 0.3 300-2500 [94BAU/COB] -! - -// part with CH - CH4 + CH = C2H4 + H 3.01E13 0.00 -1.66 -! -! B 1.0 200-700 [94BAU/COB] -! - C2H2 + CH = C2H + CH2 2.11E14 0.00 -0.51 -! C2H2+CH=>(C2H+CH2)(C3H2+H) -! B/U 1.0 200- 700 [94BAU/COB] -! - C2H4 + CH = C3H4 + H 1.32E14 0.00 -1.44 -! C2H4+CH=>(C3H4+H)(CH2+C2H3) -! B/U 1.0 200- 700 [94BAU/COB] -! - C2H6 + CH = C2H4 + CH3 1.08E14 0.00 -1.10 -! C2H6+CH=>(C2H4+CH3)(C3H6+H) -! B/U 1.0 200- 700 [94BAU/COB] -! - CH2O + CH = CH2 + HCO 9.64E13 0.00 -2.16 -! CH2O+CH=>(CH2+HCO)(CH2CO+H)(CH2CHO) -! k(overall)= 9.64E13 0.00 -2.16 B/U 1.0 300-700 [94BAU/COB] -! - H + CH2 = CH + H2 6.02E12 0.00 -7.48 -! B 0.7 300-3000 [94BAU/COB] -! - CH + CH2 = C2H2 + H 4.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - CH + CH3 = C2H3 + H 3.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - CH + C2H3 = CH2 + C2H2 5.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - CH + OH = HCO + H 3.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - -// part with CH2 and CH2(S) - CH2 + CH2 = C2H2 + H2 1.20E13 0.00 3.33 - CH2 + CH2 = C2H2 + H + H 1.08E14 0.00 3.33 -! CH2+CH2=>(C2H2+H2);(C2H2+H+H) -! k(overall)= 1.20E14 0.00 3.33 B/B 0.5 300-3000 [94BAU/COB] -! k2/k=0.9+-0.1 -! - CH2 + CH3 = C2H4 + H 4.22E13 0.00 0.00 -! B 0.4 300-3000 [94BAU/COB] -! - CH2 + C2H3 = C2H2 + CH3 1.81E13 0.00 0.00 -! S 0.5 300-2500 [86TSA/HAM] -! - CH2 + OH = CH2O + H 1.81E13 0.00 0.00 -! U 0.5 300-2500 [86TSA/HAM] -! - CH2 + HCCO = C2H + CH2O 1.00E13 0.00 8.37 -! U/U 1.0 [86GLA/MIL] -! - CH4 + CH2 = CH3 + CH3 4.30E12 0.00 42.00 -! D 1.0 296-707 [85BOH/DOB] -! - CH4 + CH2(S) = CH3 + CH3 7.00E13 0.00 0.00 -! D 1.0 298 [80ASH/FUL], [83LAN/PET] -! - C2H2 + CH2 = C3H4 1.20E13 0.00 27.69 -! B 0.3 300-1000 [94BAU/COB] -! - C2H2 + CH2(S) = H2CCCH + H 1.75E14 0.00 0.00 -! C2H2+CH2(S)=>(CH2CCH2);(CH3CCH);(H2CCCH+H) -! B/U 0.7 300-1000 [94BAU/COB] -! - H + CH2(S) = CH2 + H 2.00E14 0.00 0.00 -! H+CH2(S)=>(CH2+H)(CH+H2) -! U/U 1.0 [89MIL/BOW] -! - H2 + CH2(S) = CH3 + H 7.23E13 0.00 0.00 -! A 0.3 300 - 1000 [94BAU/COB] -! - C2H4 + CH2(S) = C3H6 9.64E13 0.00 0.00 -! B 0.5 300-1000 [94BAU/COB] -! -! - C2H6 + CH2(S) = CH3 + C2H5 2.40E14 0.00 0.00 -! D 1.0 298 [83LAN/PET] -! - CH3 + OH = CH2(S) + H2O 7.23E13 0.00 11.64 -! B 0.5 300-1000 [94BAU/COB] -! corrected factor of ten error on cec summary page -! -! - -// others - C2H2 + C2H2 = H2CCCCH+ H 2.00E09 0.00 242.00 -! S 1.0 700-1300 [88DUR/AMO] -! - C2H2 + C2H = C4H2 + H 9.03E13 0.00 0.00 -! B 0.5 300-2700 [94BAU/COB] -! - C2H4 + O = H + CH2HCO 4.74E06 1.88 0.75 - C2H4 + O = CH3 + HCO 8.13E06 1.88 0.75 - C2H4 + O = CH2CO + H2 6.80E05 1.88 0.75 -! C2H4+O=>(H+CH2CHO);(HCO+CH3);(CH2O+CH2);CH2CO+H2) -! A/B overall: 0.3 300-2000 [94BAU/COB] -! k1/k= 0.35+-0.05 k2/k=0.6+-0.10 k3/k=0 k4/k=0.05+-0.10 -! - C4H2 + OH = C3H2 + HCO 6.68E12 0.00 -1.71 -! C4H2+OH=>(C3H2+HCO)(C4H+H2O) -! D/U 0.3 296- 688 [84PER] -! - O2 + H + H2O = HO2 + H2O 6.89E15 0.0 -8.73 -! D 1.0 298- 639 [89HSU/AND] -! - O2 + H = OH + O 9.756E13 0.00 62.11 -! A 0.3 300-5000 [94BAU/COB] -! - O2 + CH3 = CH2O + OH 3.31E11 0.00 37.42 -! B 0.5 1000-2500 [94BAU/COB] -! -! - O2 + C2H = HCCO + O 9.05E12 0.00 0.00 - O2 + C3H2 = HCO + HCCO 1.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - O2 + H2CCCH = CH2CO + HCO 3.01E10 0.00 12.00 -! D 1.0 500- 900 [88SLA/GUT] -! - H2O2 + H = OH + H2O 1.02E13 0.00 14.97 -! A 0.3 300-1000 [94BAU/COB] -! - CH3 + CH3 = C2H5 + H 3.01E13 0.00 56.54 -! B 0.6 1300-2500 [94BAU/COB] -! - H + HO2 = OH + OH 1.69E14 0.00 3.66 -! A 0.3 300-1000 [94BAU/COB] -! - H + HO2 = H2O + O 3.01E13 0.00 7.20 -! A 0.3 300-1000 [94BAU/COB] -! - H + CH2OH = CH3 + OH 1.02E13 0.00 0.00 - CH3 + O = CH2O + H 8.43E13 0.00 0.00 -! A 0.2 300-2500 [94BAU/COB] -! -! - CH3 + HO2 = CH3O + OH 1.80E13 0.00 0.00 -! B 0.7 300-2500 [94BAU/COB] -! - C2H + OH = HCCO + H 2.00E13 0.00 0.00 -! U/U 1.0 [89MIL/BOW] -! - C2H5 + O = CH2O + CH3 6.62E13 0.00 0.00 -! C2H5+O=>(CH3CHO+H);(CH2O+CH3) -! k(overall)= 6.62E13 0.00 0.00 B/U 0.5 300-2500 [94BAU/COB] -! k2/k= 0.17+-0.2 at 300K -! This reaction produces mainly CH3CHO, at least near room temperature. -! However, we do not want to include CH3CHO in this mechanism. -! The overall rate is used for a good account of the removal of radicals -! C2H5 and O -! - O2 + CH3 = CH3O + O 4.40E13 0.00 131.37 -! B 0.5 300-2500 [94BAU/COB] -! reduced x3 from cec recommendation, improved ignition delay -! calculations in methane/oxygen/argon, (no effect in flame speed -! calculations) -! - OH + OH = O + H2O 1.51E09 1.14 0.42 -! A 0.2 250-2500 [94BAU/COB] -! - - diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version2/species.txt b/output/RMG_database/kinetics_libraries/combustion_core/version2/species.txt deleted file mode 100644 index 4057519bb0..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version2/species.txt +++ /dev/null @@ -1,145 +0,0 @@ -// small molecule oxidation library, species file, version 2, JS, August 6, 2003 -// originally from Leeds methane oxidation mechanism v1.5 -// http://www.chem.leeds.ac.uk/Combustion/Combustion.html -// Note: every species except C in Leeds mechanism are included in our small molecule oxidation library -// some quesion remained: is C3H2 singlet or triplet? I made it triplet, need to be clarified. - - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -CH4 -1 C 0 - -C2H2 -1 C 0 {2,T} -2 C 0 {1,T} - -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - -C2H6 -1 C 0 {2,S} -2 C 0 {1,S} - -C3H4 -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} - -C3H6 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} - -C4H2 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - -H2O -1 O 0 - -H2O2 -1 O 0 {2,S} -2 O 0 {1,S} - -CO -1 C 2T {2,D} -2 O 0 {1,D} - -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -CH2O -1 C 0 {2,D} -2 O 0 {1,D} - -CH2CO -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -H -1 H 1 - -CH -1 C 3 - -CH2 -1 C 2T - -CH2(S) -1 C 2S - -CH3 -1 C 1 - -C2H -1 C 1 {2,T} -2 C 0 {1,T} - -C2H3 -1 C 1 {2,D} -2 C 0 {1,D} - -C2H5 -1 C 1 {2,S} -2 C 0 {1,S} - -C3H2 -1 C 2S {2,S} {3,S} -2 C 0 {1,S} {3,D} -3 C 0 {1,S} {2,D} - -H2CCCH -1 C 1 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} - -H2CCCCH -1 C 0 {2,D} -2 C 1 {1,D} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -O -1 O 2T - -OH -1 O 1 - -HO2 -1 O 1 {2,S} -2 O 0 {1,S} - -HCO -1 C 1 {2,D} -2 O 0 {1,D} - -CH3O -1 C 0 {2,S} -2 O 1 {1,S} - -CH2OH -1 C 1 {2,S} -2 O 0 {1,S} - -HCCO -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -CH2HCO -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version3/3rdBodyReactions_comments.txt b/output/RMG_database/kinetics_libraries/combustion_core/version3/3rdBodyReactions_comments.txt deleted file mode 100644 index c19962073b..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version3/3rdBodyReactions_comments.txt +++ /dev/null @@ -1,87 +0,0 @@ - CO + O + M = CO2 + M 1.54E15 0.00 12.56 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for N2; the original data: -! B 0.4 300-2500 [86TSA/HAM] (N2) 6.17E14 0.00 12.56 -! - CH2O + M = HCO + H + M 1.40E36 -5.54 404.58 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - CH2O + M = H2 + CO + M 3.26E36 -5.54 404.58 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! CH2O+M=>(HCO+H+M);(H2+CO+M) -! k(1+2; original)= 1.63E36 -5.54 404.58 B/B 0.3 1700-3200 [94BAU/COB] -! k(1+2; scaled)= 4.66E36 -5.54 404.58 -! k(2)/k= 0.7+-0.4 T=2000-3000K -! - CH2CO + M = CH2 + CO + M 6.57E15 0.00 241.03 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! E 1.0 1650-1850 [86FRA/BHA] (Ar) 2.30E15 0.00 241.03 -! - HCO + M = H + CO + M 4.49E14 0.00 65.93 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! A 0.5 600-2500 [94BAU/COB] (Ar) 1.57E14 0.00 65.93 -! - CH2(S) + M = CH2 + M 1.51E13 0.00 0.00 -N2/.4/ O2/.4/ CO/.75/ CO2/1.5/ H2O/6.5/ CH4/.48/ C2H2/3.2/ C2H4/1.6/ - C2H6/1.44/ AR/.24/ -! scaled for N2; the original data: -! B 0.3 300-2000 [94BAU/COB] 6.02E12 0.00 0.00 -! 3rd body efficiences for CH4,C2H2,C2H4,C2H6,Ar were taken from [94BAU/COB] -! - CH3 + M = CH2 + H + M 2.91E16 0.00 379.14 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.5 1500-3000 [94BAU/COB] (Ar) 1.02E16 0.00 379.14 -! - C2H4 + M = C2H2 + H2 + M 9.97E16 0.00 299.32 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.3 1500-3200 [94BAU/COB] (Ar) 3.49E16 0.00 299.32 -! - O + O + M = O2 + M 5.40E13 0.00 -7.48 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! A 0.114 200-4000 [86TSA/HAM] (Ar) 1.89E13 0.00 -7.48 -! - C2H4 + M = C2H3 + H + M 7.40E17 0.00 404.09 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.5 1500-3200 [94BAU/COB] (Ar,Kr) 2.59E17 0.00 404.09 -! - O2 + H + M = HO2 + M 2.10E18 -0.8 0.00 -N2/0.67/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/0.0/ CH4/3.0/ C2H6/3.0/ AR/0.29/ -! not scaled because rate data refer to H2 -! [94BAU/COB] gives 3rd body efficiencies for N2 and Ar -! B 0.5 300-2000 [94BAU/COB] (H2) 2.10E18 -0.8 0.00 -! - H + H + M = H2 + M 1.87E18 -1.00 0.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ H2/0.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.5 300-2500 [94BAU/COB] (Ar) 6.53E17 -1.00 0.00 -! - H + O + M = OH + M 1.18E19 -1.0 0.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for N2; the original data: -! S 0.7 300-2500 [86TSA/HAM] 4.71E18 -1.0 0.00 -! - H + OH + M = H2O + M 5.53E+22 -2.0 0.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/2.55/ CH4/3.0/ C2H6/3.0/ AR/0.15/ -! scaled for N2; the original data: -! B 0.5 300-3000 [94BAU/COB] 2.21E+22 -2.0 0.00 -!There are alternative rate data in [94BAU/COB] for H2O and Ar as bath gases -!The 3rd body efficiencies for H2O and Ar were deduced from these data -! - CH3O + M = CH2O + H + M 1.55E14 0.00 56.46 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.3 300-1700 [94BAU/COB] (Ar) 5.42E13 0.00 56.46 -! - CH2OH + M = CH2O + H + M 1.26E16 0.00 125.60 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! E 1.0 1372-1842 [89HID/OKI2] 4.40E15 0.00 125.60 -! - - diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version3/3rdBodyReactions_simplified.txt b/output/RMG_database/kinetics_libraries/combustion_core/version3/3rdBodyReactions_simplified.txt deleted file mode 100644 index 6133feeac9..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version3/3rdBodyReactions_simplified.txt +++ /dev/null @@ -1,32 +0,0 @@ -// small molecule oxidation library, third body reaction file, version 2, JS, August 6, 2003 -// originally from Leeds methane oxidation mechanism v1.5 -// http://www.chem.leeds.ac.uk/Combustion/Combustion.html -// simplify this by using only one set of coefficient for every rxn - -Coefficients: -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - CO + O + M = CO2 + M 1.54E15 0.00 12.56 - - CH2O + M = HCO + H + M 1.40E36 -5.54 404.58 - - CH2O + M = H2 + CO + M 3.26E36 -5.54 404.58 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - CH2CO + M = CH2 + CO + M 6.57E15 0.00 241.03 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - HCO + M = H + CO + M 4.49E14 0.00 65.93 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - CH2(S) + M = CH2 + M 1.51E13 0.00 0.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/0.48/ C2H2/3.2/ C2H4/1.6/ C2H6/1.44/ AR/0.24/ - - CH3 + M = CH2 + H + M 2.91E16 0.00 379.14 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - C2H4 + M = C2H2 + H2 + M 9.97E16 0.00 299.32 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - O + O + M = O2 + M 5.40E13 0.00 -7.48 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version3/leeds_reaction.doc b/output/RMG_database/kinetics_libraries/combustion_core/version3/leeds_reaction.doc deleted file mode 100644 index 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http://www.chem.leeds.ac.uk/Combustion/Combustion.html - -Unit: -A: mol/cm3/s -E: kJ/mol - -Reactions: -// part with CO - C2H2 + O = CH2 + CO 2.17E06 2.1 6.57 0.0 0.0 0.0 - C2H2 + O = HCCO + H 5.06E06 2.1 6.57 0.0 0.0 0.0 - C4H2 + O = C3H2 + CO 7.89E12 0.00 5.64 0.0 0.0 0.0 - O2 + CO = CO2 + O 1.26E13 0.00 196.90 0.0 0.0 0.0 - O2 + CH = CO + OH 1.66E13 0.00 0.00 0.0 0.0 0.0 - O2 + CH = CO2 + H 1.66E13 0.00 0.00 0.0 0.0 0.0 - O2 + CH2 = CO2 + H2 5.43E12 0.00 6.24 0.0 0.0 0.0 - O2 + CH2 = CO2 + H + H 5.43E12 0.00 6.24 0.0 0.0 0.0 - O2 + CH2 = CO + OH + H 8.15E12 0.00 6.24 0.0 0.0 0.0 - O2 + CH2 = CO + H2O 1.48E12 0.00 6.24 0.0 0.0 0.0 - O2 + CH2 = CH2O + O 4.20E12 0.00 6.24 0.0 0.0 0.0 - O2 + CH2(S) = CO + OH + H 3.13E13 0.00 0.00 0.0 0.0 0.0 - O2 + HCO = HO2 + CO 3.01E12 0.00 0.00 0.0 0.0 0.0 - O2 + HCCO = CO + CO + OH 1.63E12 0.00 3.58 0.0 0.0 0.0 - CO + OH = CO2 + H 1.66E07 1.30 -3.20 0.0 0.0 0.0 - CO + HO2 = CO2 + OH 1.51E14 0.00 99.02 0.0 0.0 0.0 - CO + CH = HCCO 2.77E11 0.00 -7.15 0.0 0.0 0.0 - CO2 + CH = HCO + CO 3.43E12 0.00 2.87 0.0 0.0 0.0 - CO2 + CH2 = CH2O + CO 2.35E10 0.00 0.00 0.0 0.0 0.0 - CH2CO + H = CH3 + CO 1.81E13 0.00 14.13 0.0 0.0 0.0 - CH2CO + O = CH2 + CO2 1.33E12 0.00 5.65 0.0 0.0 0.0 - CH2CO + O = CH2O + CO 4.58E11 0.00 5.65 0.0 0.0 0.0 - CH2CO + O = HCO + H + CO 2.52E11 0.00 5.65 0.0 0.0 0.0 - CH2CO + O = HCO + HCO 2.52E11 0.00 5.65 0.0 0.0 0.0 - CH2CO + OH = CH3 + CO2 2.52E12 0.00 0.00 0.0 0.0 0.0 - CH2CO + OH = CH2OH + CO 4.68E12 0.00 0.00 0.0 0.0 0.0 - H + HCO = CO + H2 9.03E13 0.00 0.00 0.0 0.0 0.0 - H + HCCO = CH2 + CO 1.51E14 0.00 0.00 0.0 0.0 0.0 - CH + O = CO + H 3.97E13 0.00 0.00 0.0 0.0 0.0 - CH3 + HCO = CH4 + CO 1.20E14 0.00 0.00 0.0 0.0 0.0 - C2H + O = CH + CO 1.00E13 0.00 0.00 0.0 0.0 0.0 - C2H + OH = CH2 + CO 1.81E13 0.00 0.00 0.0 0.0 0.0 - C2H3 + O = CO + CH3 3.00E13 0.00 0.00 0.0 0.0 0.0 - H2CCCH + O = C2H2 + CO + H 1.39E14 0.00 0.00 0.0 0.0 0.0 - O + HCO = CO + OH 3.01E13 0.00 0.00 0.0 0.0 0.0 - O + HCCO = H + CO + CO 9.64E13 0.00 0.00 0.0 0.0 0.0 - OH + HCO = H2O + CO 1.02E14 0.00 0.00 0.0 0.0 0.0 - OH + HCCO = HCO + HCO 1.00E13 0.00 0.00 0.0 0.0 0.0 - OH + HCCO = CH2O + CO 1.00E13 0.00 0.00 0.0 0.0 0.0 - HCO + HCO = CH2O + CO 3.01E13 0.00 0.00 0.0 0.0 0.0 - HCCO + HCCO = C2H2 + CO + CO 1.00E13 0.00 0.00 0.0 0.0 0.0 - CH + HCCO = C2H2 + CO 5.00E13 0.00 0.00 0.0 0.0 0.0 - CH2 + O = CO + H + H 7.20E13 0.00 0.00 0.0 0.0 0.0 - CH2 + O = CO + H2 4.80E13 0.00 0.00 0.0 0.0 0.0 - CH2 + HCO = CH3 + CO 1.81E13 0.00 0.00 0.0 0.0 0.0 - CH2 + HCCO = C2H3 + CO 3.00E13 0.00 0.00 0.0 0.0 0.0 - -// part with CO2 - O2 + C2H = CO2 + CH 9.05E12 0.00 0.00 0.0 0.0 0.0 - O + HCO = CO2 + H 3.01E13 0.00 0.00 0.0 0.0 0.0 - -// part with CH - CH4 + CH = C2H4 + H 3.01E13 0.00 -1.66 0.0 0.0 0.0 - C2H2 + CH = C2H + CH2 2.11E14 0.00 -0.51 0.0 0.0 0.0 - C2H4 + CH = C3H4 + H 1.32E14 0.00 -1.44 0.0 0.0 0.0 - C2H6 + CH = C2H4 + CH3 1.08E14 0.00 -1.10 0.0 0.0 0.0 - CH2O + CH = CH2 + HCO 9.64E13 0.00 -2.16 0.0 0.0 0.0 - H + CH2 = CH + H2 6.02E12 0.00 -7.48 0.0 0.0 0.0 - CH + CH2 = C2H2 + H 4.00E13 0.00 0.00 0.0 0.0 0.0 - CH + CH3 = C2H3 + H 3.00E13 0.00 0.00 0.0 0.0 0.0 - CH + C2H3 = CH2 + C2H2 5.00E13 0.00 0.00 0.0 0.0 0.0 - CH + OH = HCO + H 3.00E13 0.00 0.00 0.0 0.0 0.0 - -// part with CH2 and CH2(S) - CH2 + CH2 = C2H2 + H2 1.20E13 0.00 3.33 0.0 0.0 0.0 - CH2 + CH2 = C2H2 + H + H 1.08E14 0.00 3.33 0.0 0.0 0.0 - CH2 + CH3 = C2H4 + H 4.22E13 0.00 0.00 0.0 0.0 0.0 - CH2 + C2H3 = C2H2 + CH3 1.81E13 0.00 0.00 0.0 0.0 0.0 - CH2 + OH = CH2O + H 1.81E13 0.00 0.00 0.0 0.0 0.0 - CH2 + HCCO = C2H + CH2O 1.00E13 0.00 8.37 0.0 0.0 0.0 - CH4 + CH2 = CH3 + CH3 4.30E12 0.00 42.00 0.0 0.0 0.0 - CH4 + CH2(S) = CH3 + CH3 7.00E13 0.00 0.00 0.0 0.0 0.0 - C2H2 + CH2 = C3H4 1.20E13 0.00 27.69 0.0 0.0 0.0 - C2H2 + CH2(S) = H2CCCH + H 1.75E14 0.00 0.00 0.0 0.0 0.0 - H + CH2(S) = CH2 + H 2.00E14 0.00 0.00 0.0 0.0 0.0 - H2 + CH2(S) = CH3 + H 7.23E13 0.00 0.00 0.0 0.0 0.0 - C2H4 + CH2(S) = C3H6 9.64E13 0.00 0.00 0.0 0.0 0.0 - C2H6 + CH2(S) = CH3 + C2H5 2.40E14 0.00 0.00 0.0 0.0 0.0 - CH3 + OH = CH2(S) + H2O 7.23E13 0.00 11.64 0.0 0.0 0.0 - -// others - C2H2 + C2H2 = H2CCCCH+ H 2.00E09 0.00 242.00 0.0 0.0 0.0 - C2H2 + C2H = C4H2 + H 9.03E13 0.00 0.00 0.0 0.0 0.0 - C2H4 + O = H + CH2HCO 4.74E06 1.88 0.75 0.0 0.0 0.0 - C2H4 + O = CH3 + HCO 8.13E06 1.88 0.75 0.0 0.0 0.0 - C2H4 + O = CH2CO + H2 6.80E05 1.88 0.75 0.0 0.0 0.0 - C4H2 + OH = C3H2 + HCO 6.68E12 0.00 -1.71 0.0 0.0 0.0 - O2 + H + H2O = HO2 + H2O 6.89E15 0.0 -8.73 0.0 0.0 0.0 - O2 + H = OH + O 9.756E13 0.00 62.11 0.0 0.0 0.0 - O2 + CH3 = CH2O + OH 3.31E11 0.00 37.42 0.0 0.0 0.0 - O2 + C2H = HCCO + O 9.05E12 0.00 0.00 0.0 0.0 0.0 - O2 + C3H2 = HCO + HCCO 1.00E13 0.00 0.00 0.0 0.0 0.0 - O2 + H2CCCH = CH2CO + HCO 3.01E10 0.00 12.00 0.0 0.0 0.0 - H2O2 + H = OH + H2O 1.02E13 0.00 14.97 0.0 0.0 0.0 - CH3 + CH3 = C2H5 + H 3.01E13 0.00 56.54 0.0 0.0 0.0 - H + HO2 = OH + OH 1.69E14 0.00 3.66 0.0 0.0 0.0 - H + HO2 = H2O + O 3.01E13 0.00 7.20 0.0 0.0 0.0 - H + CH2OH = CH3 + OH 1.02E13 0.00 0.00 0.0 0.0 0.0 - CH3 + O = CH2O + H 8.43E13 0.00 0.00 0.0 0.0 0.0 - CH3 + HO2 = CH3O + OH 1.80E13 0.00 0.00 0.0 0.0 0.0 - C2H + OH = HCCO + H 2.00E13 0.00 0.00 0.0 0.0 0.0 - C2H5 + O = CH2O + CH3 6.62E13 0.00 0.00 0.0 0.0 0.0 - O2 + CH3 = CH3O + O 4.40E13 0.00 131.37 0.0 0.0 0.0 - OH + OH = O + H2O 1.51E09 1.14 0.42 0.0 0.0 0.0 - -// new adding from version 2 to version 3 - H2 + O = OH + H 5.12E04 2.67 26.27 0.0 0.0 0.0 - H2O + H = H2 + OH 4.52E08 1.6 77.08 0.0 0.0 0.0 - CH4 + O = CH3 + OH 7.23E08 1.56 35.5 0.0 0.0 0.0 - CH4 + OH = CH3 + H2O 1.57E07 1.83 11.64 0.0 0.0 0.0 - C2H2 + OH = C2H + H2O 6.00E13 0.00 54.04 0.0 0.0 0.0 - C2H4 + H = C2H3 + H2 5.42E14 0.00 62.36 0.0 0.0 0.0 - C2H4 + OH = C2H3 + H2O 2.05E13 0.00 24.86 0.0 0.0 0.0 - C2H6 + H = C2H5 + H2 1.45E09 1.5 31.01 0.0 0.0 0.0 - C2H6 + CH3 = C2H5 + CH4 1.51E-7 6.0 25.30 0.0 0.0 0.0 - C2H6 + O = C2H5 + OH 1.00E09 1.5 24.28 0.0 0.0 0.0 - C2H6 + OH = C2H5 + H2O 7.23E06 2.00 3.62 0.0 0.0 0.0 - C2H6 + HO2 = H2O2 + C2H5 1.32E13 0.00 85.63 0.0 0.0 0.0 - O2 + CH2O = HCO + HO2 6.02E13 0.00 170.11 0.0 0.0 0.0 - O2 + CH3O = CH2O + HO2 2.17E10 0.00 7.32 0.0 0.0 0.0 - H2O2 + H = HO2 + H2 1.69E12 0.00 15.71 0.0 0.0 0.0 - H2O2 + O = OH + HO2 6.62E11 0.00 16.63 0.0 0.0 0.0 - H2O2 + OH = H2O + HO2 7.83E12 0.00 5.57 0.0 0.0 0.0 - CH2O + H = HCO + H2 1.26E08 1.62 9.06 0.0 0.0 0.0 - CH2O + CH3 = CH4 + HCO 7.83E-08 6.1 8.23 0.0 0.0 0.0 - CH2O + O = HCO + OH 4.16E11 0.57 11.56 0.0 0.0 0.0 - CH2O + OH = HCO + H2O 3.43E09 1.18 -1.87 0.0 0.0 0.0 - H + HO2 = H2 + O2 4.28E13 0.00 5.90 0.0 0.0 0.0 - H + CH3O = CH2O + H2 1.81E13 0.00 0.00 0.0 0.0 0.0 - O + HO2 = O2 + OH 3.19E13 0.00 0.00 0.0 0.0 0.0 - OH + HO2 = H2O + O2 2.89E13 0.00 -2.08 0.0 0.0 0.0 - -// p-dependent pathway fall off factor at T = 715, P = 0.8atm added - O2 + CH3 = CH3O2 2.613E8 0 0 0.0 0.0 0.0 - O2 + C3H5 = C3H5O2 3.0559E7 0 0 0.0 0.0 0.0 - O2 + C2H5 = C2H5O2 1.4796E8 0 0 0.0 0.0 0.0 - O2 + CH2OH = CH3O3_2 5.7828E7 0 0 0.0 0.0 0.0 - O2 + C3H7 = C3H7O2 5.9207E8 0 0 0.0 0.0 0.0 - C2H4 + H = C2H5 7.05977E6 1.28 1.29 0.0 0.0 0.0 - O2 + CH2HCO = C2H3O3 1.4967127E8 0 0 0.0 0.0 0.0 - C3H6 + H = C3H7 6.94934E11 0 1.56 0.0 0.0 0.0 - O2 + HCO = CHO3 2.91137E8 0 0 0.0 0.0 0.0 - CH2O + HO2 = CH3O3_1 8.380E2 0 3.6089 0.0 0.0 0.0 - C2H5 + C2H4 = C4H9 4.8070991E-2 2.44 5.37 0.0 0.0 0.0 diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version3/reactions_comments.txt b/output/RMG_database/kinetics_libraries/combustion_core/version3/reactions_comments.txt deleted file mode 100644 index dd70ff2adb..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version3/reactions_comments.txt +++ /dev/null @@ -1,427 +0,0 @@ -// part with CO - C2H2 + O = CH2 + CO 2.17E06 2.1 6.57 - C2H2 + O = HCCO + H 5.06E06 2.1 6.57 -! A/A overall: 0.2 295-2500 [94BAU/COB] -! k2/k=0.7+-0.2 -! -! - C4H2 + O = C3H2 + CO 7.89E12 0.00 5.64 -! D 1.0 210- 423 [86MIT/NAV] -! - O2 + CO = CO2 + O 1.26E13 0.00 196.90 -! F 0.7 1000-1400 [91KOI] -! - O2 + CH = CO + OH 1.66E13 0.00 0.00 - O2 + CH = CO2 + H 1.66E13 0.00 0.00 -! O2+CH=>(CO+OH)(CO2+H)(HCO+O)(CO+H+O) -! k(overall)= 3.31E13 0.00 0.00 B/U 0.5 300-2000 [94BAU/COB] -! - O2 + CH2 = CO2 + H2 5.43E12 0.00 6.24 - O2 + CH2 = CO2 + H + H 5.43E12 0.00 6.24 - O2 + CH2 = CO + OH + H 8.15E12 0.00 6.24 - O2 + CH2 = CO + H2O 1.48E12 0.00 6.24 - O2 + CH2 = CH2O + O 4.20E12 0.00 6.24 -! O2+CH2=>(CO2+H2)(CO2+H+H)(CO+OH+H)(CO+H2O)(CH2O+O) -! k(overall)= 2.47E13 0.00 6.24 A 0.5 300-1000 [94BAU/COB] -! [94ALV/MOO] have measured the branching ratios at 298K: -! k(1+2)/k= 0.40+0.09-0.07; k(3+4)/k=0.34+-0.06; -! k(3)/k=0.30+-0.05; k(5)/k=0.16+-0.04 (The sum is 0.9) -! Based on the above numbers, the following branching ratios are used here: -! k(1)/k=0.22; k(2)/k=0.22; k(3)/k=0.33; k(4)/k=0.06; k(5)/k=0.17 -! - O2 + CH2(S) = CO + OH + H 3.13E13 0.00 0.00 -! O2+CH2(S)=>(CO+H+OH);(CO2+H2);(CO+H2O);(CH2+O2) -! k(overall)= 3.13E13 0.00 0.00 A/U 0.5 300-1000 [94BAU/COB] -! - O2 + HCO = HO2 + CO 3.01E12 0.00 0.00 -! O2+HCO=>(CO+HO2);(OH+CO2);(HCO3) -! k(overall)= 3.01E12 0.00 0.00 A/U 0.3 300-2500 [94BAU/COB] -! According to the measurements of Dobe et al. (unpublished) -! (HO2+CO) is the main channel until 600K -! - O2 + HCCO = CO + CO + OH 1.63E12 0.00 3.58 -! O2+HCCO=>(2CO+OH);(C2O+HO2) -! k(overall)= 1.63E12 0.00 3.58 B/U 0.7 300-550 [94BAU/COB] -! - CO + OH = CO2 + H 1.66E07 1.30 -3.20 -! A 0.5 250-2000 [76BAU/DRY] increased by 10% -! -! The [94BAU/COB] suggests 6.32E06 1.5 -2.08 A 0.5 300-2000 -! but [94MCL/SMI] claims that the [94BAU/COB] evaluation is based on wrong -! flame velocity measurements and the data of [76BAU/DRY] give better -! description of accurate flame velocity measurements and are in better -! agreement to direct kinetic measurements. -! [76BAU/DRY] suggests: -! k(cm**3 mol**-1 s**-1)= 10**7.18 T**1.3 exp(+385/T) -! valid for 250-2000K, unc= +-20%(at 300K) - +-50%(above 1000K) -! Note, that this expression was misprinted in [76BAU/DRY] -! the [76BAU/DRY] value: -! CO + OH = CO2 + H 1.51E07 1.30 -3.20 -! -! (10/7/97) the [76BAU/DRY] was increased by 10% to describe CO+OH flame velocities. -! -! - CO + HO2 = CO2 + OH 1.51E14 0.00 99.02 -! B 0.3 300-2500 [86TSA/HAM] -! - CO + CH = HCCO 2.77E11 0.00 -7.15 -! CO+CH=>(HCCO)(H+C2O) -! B/U 1.0 300-1000 [94BAU/COB] -! - CO2 + CH = HCO + CO 3.43E12 0.00 2.87 -! CO2+CH=>(HCO+CO)(C2O+OH) -! B/U 1.0 300-1000 [94BAU/COB] -! - CO2 + CH2 = CH2O + CO 2.35E10 0.00 0.00 -! B 0.2 300-2500 [86TSA/HAM] -! - - CH2CO + H = CH3 + CO 1.81E13 0.00 14.13 -! CH2CO+H=>(CH3+CO)(CH2CHO)(H2+HCCO) -! k(overall)= 1.81E13 0.00 14.13 B/U 1.0 200-2000 [94BAU/COB] -! k2/k is considered small => channel#2 is neglected -! channel#3 may be important at high temperature -! - CH2CO + O = CH2 + CO2 1.33E12 0.00 5.65 - CH2CO + O = CH2O + CO 4.58E11 0.00 5.65 - CH2CO + O = HCO + H + CO 2.52E11 0.00 5.65 - CH2CO + O = HCO + HCO 2.52E11 0.00 5.65 -! CH2CO+O=>(CH2+CO2)(CH2O+CO)(HCO+H+CO)(HCO+HCO) -! k(overall)= 2.29E12 0.00 5.65 B/U 0.3 230-500 [94BAU/COB] -! Information about branching ratios: -! [83WAS/HAT] k(2)/k = 20%+-10% -! [92OEH] k(1)/k = 58%+-10% -! (0.5 k(3)+k(4))/k = 21%+-5% -! We use here k(1)/k= 0.58, k(2)/k= 0.20, k(3)/k= 0.11, and k(4)/k= 0.11 -! - CH2CO + OH = CH3 + CO2 2.52E12 0.00 0.00 - CH2CO + OH = CH2OH + CO 4.68E12 0.00 0.00 -! CH2CO+OH=>(CH3+CO2)(CH2OH+CO)(CH3O+CO)(HCO+CH2O)(HCCO+H2O)(CH2O+H+CO) -! k(overall)= 7.20E12 0.00 0.00 D/U 296 [92OEH/TEM] -! According to the measurements of [94GRU/NOL] -! k(2)/k=0.60+-0.10; k(4)/k<0.02; k(5)/k<0.01; estimated: k(1)/k= 0.25 -! We use here k(1)/k= 0.35 and k(2)/k= 0.65 -! - H + HCO = CO + H2 9.03E13 0.00 0.00 -! A 0.3 300-2500 [94BAU/COB] -! - H + HCCO = CH2 + CO 1.51E14 0.00 0.00 -! B 0.4 300-2500 [94BAU/COB] -! - CH + O = CO + H 3.97E13 0.00 0.00 -! A 0.5 300-2000 [94BAU/COB] -! - CH3 + HCO = CH4 + CO 1.20E14 0.00 0.00 -! B 0.3 300-2500 [86TSA/HAM] -! - C2H + O = CH + CO 1.00E13 0.00 0.00 -! B 1.0 300-2500 [94BAU/COB] -! - C2H + OH = CH2 + CO 1.81E13 0.00 0.00 -! U/U 0.7 300-2500 [86TSA/HAM] -! -! C2H+OH=>CH2+CO 1.81E13 0.00 0.00 B* 0.7 300-2500 - C2H3 + O = CO + CH3 3.00E13 0.00 0.00 -! C2H3+O=>(CO+CH3)(OH+C2H2)(HCO+CH2) -! B/U 0.5 300-2000 [94BAU/COB] -! probably channel#1 is dominant -! - H2CCCH + O = C2H2 + CO + H 1.39E14 0.00 0.00 -! D 1.0 295- 750 [91SLA/GUT] -! [91SLA/GUT] have suggested (C3H2O+H) as products, -! but a fast decomposition of C3H2O to C2H2 and CO is assumed. -! - O + HCO = CO + OH 3.01E13 0.00 0.00 -! A 0.3 300-2500 [94BAU/COB] -! - O + HCCO = H + CO + CO 9.64E13 0.00 0.00 -! A 0.3 300-2500 [94BAU/COB] -! - OH + HCO = H2O + CO 1.02E14 0.00 0.00 -! B 0.3 300-2500 [94BAU/COB] -! - OH + HCCO = HCO + HCO 1.00E13 0.00 0.00 - OH + HCCO = CH2O + CO 1.00E13 0.00 0.00 -! U/U 1.0 -! - HCO + HCO = CH2O + CO 3.01E13 0.00 0.00 -! B 0.3 300 [94BAU/COB] -! - HCCO + HCCO = C2H2 + CO + CO 1.00E13 0.00 0.00 -! U/U 1.0 [89MIL/BOW] -! - CH + HCCO = C2H2 + CO 5.00E13 0.00 0.00 -! CH+HCCO=>(C2H2+CO)(C2H+HCO) -! U/U 1.0 [89MIL/BOW] -! - CH2 + O = CO + H + H 7.20E13 0.00 0.00 - CH2 + O = CO + H2 4.80E13 0.00 0.00 -! CH2+O=>(CO+2H);(CO+H2) 1.20E14 0.00 0.00 -! A/B 0.7 300-2500 [94BAU/COB] -! k1/k=0.6+-0.3 -! - CH2 + HCO = CH3 + CO 1.81E13 0.00 0.00 -! U 0.5 300-2500 [86TSA/HAM] -! - CH2 + HCCO = C2H3 + CO 3.00E13 0.00 0.00 -! U/U 1.0 [86GLA/MIL] -! -// part with CO2 - O2 + C2H = CO2 + CH 9.05E12 0.00 0.00 -! O2+C2H=>(HCCO+O)(CO2+CH);(2CO+H);(C2HO+O);(CO+HCO) -! k(overall)= 1.81E13 0.00 0.00 B/U 0.5 300 [94BAU/COB] -! According to the measurements of Seakins et al (unpublished) -! (HCCO+O)(CO2+CH) are the two most likely channels -! -! O2 + C2H3 = CH2O + HCO 5.42E12 0.00 0.00 - O + HCO = CO2 + H 3.01E13 0.00 0.00 -! A 0.3 300-2500 [94BAU/COB] -! - -// part with CH - CH4 + CH = C2H4 + H 3.01E13 0.00 -1.66 -! -! B 1.0 200-700 [94BAU/COB] -! - C2H2 + CH = C2H + CH2 2.11E14 0.00 -0.51 -! C2H2+CH=>(C2H+CH2)(C3H2+H) -! B/U 1.0 200- 700 [94BAU/COB] -! - C2H4 + CH = C3H4 + H 1.32E14 0.00 -1.44 -! C2H4+CH=>(C3H4+H)(CH2+C2H3) -! B/U 1.0 200- 700 [94BAU/COB] -! - C2H6 + CH = C2H4 + CH3 1.08E14 0.00 -1.10 -! C2H6+CH=>(C2H4+CH3)(C3H6+H) -! B/U 1.0 200- 700 [94BAU/COB] -! - CH2O + CH = CH2 + HCO 9.64E13 0.00 -2.16 -! CH2O+CH=>(CH2+HCO)(CH2CO+H)(CH2CHO) -! k(overall)= 9.64E13 0.00 -2.16 B/U 1.0 300-700 [94BAU/COB] -! - H + CH2 = CH + H2 6.02E12 0.00 -7.48 -! B 0.7 300-3000 [94BAU/COB] -! - CH + CH2 = C2H2 + H 4.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - CH + CH3 = C2H3 + H 3.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - CH + C2H3 = CH2 + C2H2 5.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - CH + OH = HCO + H 3.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - -// part with CH2 and CH2(S) - CH2 + CH2 = C2H2 + H2 1.20E13 0.00 3.33 - CH2 + CH2 = C2H2 + H + H 1.08E14 0.00 3.33 -! CH2+CH2=>(C2H2+H2);(C2H2+H+H) -! k(overall)= 1.20E14 0.00 3.33 B/B 0.5 300-3000 [94BAU/COB] -! k2/k=0.9+-0.1 -! - CH2 + CH3 = C2H4 + H 4.22E13 0.00 0.00 -! B 0.4 300-3000 [94BAU/COB] -! - CH2 + C2H3 = C2H2 + CH3 1.81E13 0.00 0.00 -! S 0.5 300-2500 [86TSA/HAM] -! - CH2 + OH = CH2O + H 1.81E13 0.00 0.00 -! U 0.5 300-2500 [86TSA/HAM] -! - CH2 + HCCO = C2H + CH2O 1.00E13 0.00 8.37 -! U/U 1.0 [86GLA/MIL] -! - CH4 + CH2 = CH3 + CH3 4.30E12 0.00 42.00 -! D 1.0 296-707 [85BOH/DOB] -! - CH4 + CH2(S) = CH3 + CH3 7.00E13 0.00 0.00 -! D 1.0 298 [80ASH/FUL], [83LAN/PET] -! - C2H2 + CH2 = C3H4 1.20E13 0.00 27.69 -! B 0.3 300-1000 [94BAU/COB] -! - C2H2 + CH2(S) = H2CCCH + H 1.75E14 0.00 0.00 -! C2H2+CH2(S)=>(CH2CCH2);(CH3CCH);(H2CCCH+H) -! B/U 0.7 300-1000 [94BAU/COB] -! - H + CH2(S) = CH2 + H 2.00E14 0.00 0.00 -! H+CH2(S)=>(CH2+H)(CH+H2) -! U/U 1.0 [89MIL/BOW] -! - H2 + CH2(S) = CH3 + H 7.23E13 0.00 0.00 -! A 0.3 300 - 1000 [94BAU/COB] -! - C2H4 + CH2(S) = C3H6 9.64E13 0.00 0.00 -! B 0.5 300-1000 [94BAU/COB] -! -! - C2H6 + CH2(S) = CH3 + C2H5 2.40E14 0.00 0.00 -! D 1.0 298 [83LAN/PET] -! - CH3 + OH = CH2(S) + H2O 7.23E13 0.00 11.64 -! B 0.5 300-1000 [94BAU/COB] -! corrected factor of ten error on cec summary page -! -! - -// others - C2H2 + C2H2 = H2CCCCH+ H 2.00E09 0.00 242.00 -! S 1.0 700-1300 [88DUR/AMO] -! - C2H2 + C2H = C4H2 + H 9.03E13 0.00 0.00 -! B 0.5 300-2700 [94BAU/COB] -! - C2H4 + O = H + CH2HCO 4.74E06 1.88 0.75 - C2H4 + O = CH3 + HCO 8.13E06 1.88 0.75 - C2H4 + O = CH2CO + H2 6.80E05 1.88 0.75 -! C2H4+O=>(H+CH2CHO);(HCO+CH3);(CH2O+CH2);CH2CO+H2) -! A/B overall: 0.3 300-2000 [94BAU/COB] -! k1/k= 0.35+-0.05 k2/k=0.6+-0.10 k3/k=0 k4/k=0.05+-0.10 -! - C4H2 + OH = C3H2 + HCO 6.68E12 0.00 -1.71 -! C4H2+OH=>(C3H2+HCO)(C4H+H2O) -! D/U 0.3 296- 688 [84PER] -! - O2 + H + H2O = HO2 + H2O 6.89E15 0.0 -8.73 -! D 1.0 298- 639 [89HSU/AND] -! - O2 + H = OH + O 9.756E13 0.00 62.11 -! A 0.3 300-5000 [94BAU/COB] -! - O2 + CH3 = CH2O + OH 3.31E11 0.00 37.42 -! B 0.5 1000-2500 [94BAU/COB] -! -! - O2 + C2H = HCCO + O 9.05E12 0.00 0.00 - O2 + C3H2 = HCO + HCCO 1.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - O2 + H2CCCH = CH2CO + HCO 3.01E10 0.00 12.00 -! D 1.0 500- 900 [88SLA/GUT] -! - H2O2 + H = OH + H2O 1.02E13 0.00 14.97 -! A 0.3 300-1000 [94BAU/COB] -! - CH3 + CH3 = C2H5 + H 3.01E13 0.00 56.54 -! B 0.6 1300-2500 [94BAU/COB] -! - H + HO2 = OH + OH 1.69E14 0.00 3.66 -! A 0.3 300-1000 [94BAU/COB] -! - H + HO2 = H2O + O 3.01E13 0.00 7.20 -! A 0.3 300-1000 [94BAU/COB] -! - H + CH2OH = CH3 + OH 1.02E13 0.00 0.00 - CH3 + O = CH2O + H 8.43E13 0.00 0.00 -! A 0.2 300-2500 [94BAU/COB] -! -! - CH3 + HO2 = CH3O + OH 1.80E13 0.00 0.00 -! B 0.7 300-2500 [94BAU/COB] -! - C2H + OH = HCCO + H 2.00E13 0.00 0.00 -! U/U 1.0 [89MIL/BOW] -! - C2H5 + O = CH2O + CH3 6.62E13 0.00 0.00 -! C2H5+O=>(CH3CHO+H);(CH2O+CH3) -! k(overall)= 6.62E13 0.00 0.00 B/U 0.5 300-2500 [94BAU/COB] -! k2/k= 0.17+-0.2 at 300K -! This reaction produces mainly CH3CHO, at least near room temperature. -! However, we do not want to include CH3CHO in this mechanism. -! The overall rate is used for a good account of the removal of radicals -! C2H5 and O -! - O2 + CH3 = CH3O + O 4.40E13 0.00 131.37 -! B 0.5 300-2500 [94BAU/COB] -! reduced x3 from cec recommendation, improved ignition delay -! calculations in methane/oxygen/argon, (no effect in flame speed -! calculations) -! - OH + OH = O + H2O 1.51E09 1.14 0.42 -! A 0.2 250-2500 [94BAU/COB] -! - -// new adding from version 2 to version 3 - H2 + O = OH + H 5.12E04 2.67 26.27 -! A 0.2 300 - 2500 [94BAU/COB] -! - H2O + H = H2 + OH 4.52E08 1.6 77.08 -! A 0.2 300-2500 [94BAU/COB] -! - CH4 + O = CH3 + OH 7.23E08 1.56 35.5 -! A 0.2 300-2500 [94BAU/COB] -! - CH4 + OH = CH3 + H2O 1.57E07 1.83 11.64 -! A 0.15 250-2500 [94BAU/COB] -! - C2H2 + OH = C2H + H2O 6.00E13 0.00 54.04 -! C2H2+OH=>(H2O+C2H);(H+CH2CO);(C2H2OH) -! k(1+2)= 6.02E13 0.00 54.04 B/U 1.0 1000-2000 [94BAU/COB] -! channel#3 is important at low temperature and high pressure -! - C2H4 + H = C2H3 + H2 5.42E14 0.00 62.36 -! A 0.5 700-2000 [94BAU/COB] -! - C2H4 + OH = C2H3 + H2O 2.05E13 0.00 24.86 -! B 0.5 650-1500 [94BAU/COB] -! - C2H6 + H = C2H5 + H2 1.45E09 1.5 31.01 -! A 0.3 300-2000 [94BAU/COB] -! - C2H6 + CH3 = C2H5 + CH4 1.51E-7 6.0 25.30 -! A 0.2 300-1500 [94BAU/COB] -! - C2H6 + O = C2H5 + OH 1.00E09 1.5 24.28 -! A 0.15 300-1200 [94BAU/COB] -! - C2H6 + OH = C2H5 + H2O 7.23E06 2.00 3.62 -! A 0.1 250-2000 [94BAU/COB] -! - C2H6 + HO2 = H2O2 + C2H5 1.32E13 0.00 85.63 -! B 0.3 500-1000 [94BAU/COB] -! - O2 + CH2O = HCO + HO2 6.02E13 0.00 170.11 -! B 0.5 700-1000 [94BAU/COB] -! - O2 + CH3O = CH2O + HO2 2.17E10 0.00 7.32 -! A 0.3 300-1000 [94BAU/COB] -! - H2O2 + H = HO2 + H2 1.69E12 0.00 15.71 -! A 0.3 300-1000 [94BAU/COB] -! - H2O2 + O = OH + HO2 6.62E11 0.00 16.63 -! A 0.3 300- 500 [94BAU/COB] -! - H2O2 + OH = H2O + HO2 7.83E12 0.00 5.57 -! A 0.5 300-1000 [94BAU/COB] -! - CH2O + H = HCO + H2 1.26E08 1.62 9.06 -! A 0.3 300-1700 [94BAU/COB] -! - CH2O + CH3 = CH4 + HCO 7.83E-08 6.1 8.23 -! A 0.2 300-2000 [94BAU/COB] -! - CH2O + O = HCO + OH 4.16E11 0.57 11.56 -! A 0.3 250-2200 [94BAU/COB] -! - CH2O + OH = HCO + H2O 3.43E09 1.18 -1.87 -! A 0.5 300-3000 [94BAU/COB] -! - H + HO2 = H2 + O2 4.28E13 0.00 5.90 -! A 0.3 300-1000 [94BAU/COB] -! - H + CH3O = CH2O + H2 1.81E13 0.00 0.00 -! A 0.5 300-1000 [94BAU/COB] -! -! -! -! - O + HO2 = O2 + OH 3.19E13 0.00 0.00 -! A 0.5 300-1000 [94BAU/COB] -! - OH + HO2 = H2O + O2 2.89E13 0.00 -2.08 -! A 0.5 300-2000 [94BAU/COB] -! diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version3/readMe.txt b/output/RMG_database/kinetics_libraries/combustion_core/version3/readMe.txt deleted file mode 100644 index 150b581a6f..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version3/readMe.txt +++ /dev/null @@ -1,3 +0,0 @@ -from version 2 to version 3, -(1) we added as much as possible reactions from Leeds to reduce the p-dependent pathway's effects. -(2) update the A factor for P-dependent reactions according to the fall off factor calculate by Bryan, Wong. diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version3/species.txt b/output/RMG_database/kinetics_libraries/combustion_core/version3/species.txt deleted file mode 100644 index 439cc47084..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version3/species.txt +++ /dev/null @@ -1,212 +0,0 @@ -// small molecule oxidation library, species file, version 2, JS, August 6, 2003 -// originally from Leeds methane oxidation mechanism v1.5 -// http://www.chem.leeds.ac.uk/Combustion/Combustion.html -// Note: every species except C in Leeds mechanism are included in our small molecule oxidation library -// some quesion remained: is C3H2 singlet or triplet? I made it triplet, need to be clarified. - - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -CH4 -1 C 0 - -C2H2 -1 C 0 {2,T} -2 C 0 {1,T} - -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - -C2H6 -1 C 0 {2,S} -2 C 0 {1,S} - -C3H4 -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} - -C3H6 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} - -C4H2 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - -H2O -1 O 0 - -H2O2 -1 O 0 {2,S} -2 O 0 {1,S} - -CO -1 C 2T {2,D} -2 O 0 {1,D} - -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -CH2O -1 C 0 {2,D} -2 O 0 {1,D} - -CH2CO -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -H -1 H 1 - -CH -1 C 3 - -CH2 -1 C 2T - -CH2(S) -1 C 2S - -CH3 -1 C 1 - -C2H -1 C 1 {2,T} -2 C 0 {1,T} - -C2H3 -1 C 1 {2,D} -2 C 0 {1,D} - -C2H5 -1 C 1 {2,S} -2 C 0 {1,S} - -C3H2 -1 C 2S {2,S} {3,S} -2 C 0 {1,S} {3,D} -3 C 0 {1,S} {2,D} - -H2CCCH -1 C 1 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} - -H2CCCCH -1 C 0 {2,D} -2 C 1 {1,D} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -O -1 O 2T - -OH -1 O 1 - -HO2 -1 O 1 {2,S} -2 O 0 {1,S} - -HCO -1 C 1 {2,D} -2 O 0 {1,D} - -CH3O -1 C 0 {2,S} -2 O 1 {1,S} - -CH2OH -1 C 1 {2,S} -2 O 0 {1,S} - -HCCO -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -CH2HCO -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -// P-DEPENDENT SPECIES -CH3O2 -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 1 {2,S} - -C3H5 -1 C 0 {2,D} {3,S} -2 C 0 {1,D} -3 C 1 {1,S} - -C3H5O2 -1 C 0 {2,D} {3,S} -2 C 0 {1,D} -3 C 0 {1,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} - -C2H5O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 1 {3,S} - -C3H7 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} - -C3H7O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} {5,S} -5 O 1 {4,S} - -C2H3O3 -1 C 0 {2,S} {3,D} -2 C 0 {1,S} {4,S} -3 O 0 {1,D} -4 O 0 {2,S} {5,S} -5 O 1 {4,S} - -CHO3 -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 O 1 {3,S} - -CH3O3_1 -1 C 0 {2,S} {3,S} -2 O 1 {1,S} -3 O 0 {1,S} {4,S} -4 O 0 {3,S} - -CH3O3_2 -1 C 0 {2,S} {3,S} -2 O 0 {1,S} -3 O 0 {1,S} {4,S} -4 O 1 {3,S} - -C4H9 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version4/3rdBodyReactions_comments.txt b/output/RMG_database/kinetics_libraries/combustion_core/version4/3rdBodyReactions_comments.txt deleted file mode 100644 index c19962073b..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version4/3rdBodyReactions_comments.txt +++ /dev/null @@ -1,87 +0,0 @@ - CO + O + M = CO2 + M 1.54E15 0.00 12.56 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for N2; the original data: -! B 0.4 300-2500 [86TSA/HAM] (N2) 6.17E14 0.00 12.56 -! - CH2O + M = HCO + H + M 1.40E36 -5.54 404.58 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - CH2O + M = H2 + CO + M 3.26E36 -5.54 404.58 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! CH2O+M=>(HCO+H+M);(H2+CO+M) -! k(1+2; original)= 1.63E36 -5.54 404.58 B/B 0.3 1700-3200 [94BAU/COB] -! k(1+2; scaled)= 4.66E36 -5.54 404.58 -! k(2)/k= 0.7+-0.4 T=2000-3000K -! - CH2CO + M = CH2 + CO + M 6.57E15 0.00 241.03 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! E 1.0 1650-1850 [86FRA/BHA] (Ar) 2.30E15 0.00 241.03 -! - HCO + M = H + CO + M 4.49E14 0.00 65.93 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! A 0.5 600-2500 [94BAU/COB] (Ar) 1.57E14 0.00 65.93 -! - CH2(S) + M = CH2 + M 1.51E13 0.00 0.00 -N2/.4/ O2/.4/ CO/.75/ CO2/1.5/ H2O/6.5/ CH4/.48/ C2H2/3.2/ C2H4/1.6/ - C2H6/1.44/ AR/.24/ -! scaled for N2; the original data: -! B 0.3 300-2000 [94BAU/COB] 6.02E12 0.00 0.00 -! 3rd body efficiences for CH4,C2H2,C2H4,C2H6,Ar were taken from [94BAU/COB] -! - CH3 + M = CH2 + H + M 2.91E16 0.00 379.14 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.5 1500-3000 [94BAU/COB] (Ar) 1.02E16 0.00 379.14 -! - C2H4 + M = C2H2 + H2 + M 9.97E16 0.00 299.32 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.3 1500-3200 [94BAU/COB] (Ar) 3.49E16 0.00 299.32 -! - O + O + M = O2 + M 5.40E13 0.00 -7.48 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! A 0.114 200-4000 [86TSA/HAM] (Ar) 1.89E13 0.00 -7.48 -! - C2H4 + M = C2H3 + H + M 7.40E17 0.00 404.09 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.5 1500-3200 [94BAU/COB] (Ar,Kr) 2.59E17 0.00 404.09 -! - O2 + H + M = HO2 + M 2.10E18 -0.8 0.00 -N2/0.67/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/0.0/ CH4/3.0/ C2H6/3.0/ AR/0.29/ -! not scaled because rate data refer to H2 -! [94BAU/COB] gives 3rd body efficiencies for N2 and Ar -! B 0.5 300-2000 [94BAU/COB] (H2) 2.10E18 -0.8 0.00 -! - H + H + M = H2 + M 1.87E18 -1.00 0.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ H2/0.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.5 300-2500 [94BAU/COB] (Ar) 6.53E17 -1.00 0.00 -! - H + O + M = OH + M 1.18E19 -1.0 0.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for N2; the original data: -! S 0.7 300-2500 [86TSA/HAM] 4.71E18 -1.0 0.00 -! - H + OH + M = H2O + M 5.53E+22 -2.0 0.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/2.55/ CH4/3.0/ C2H6/3.0/ AR/0.15/ -! scaled for N2; the original data: -! B 0.5 300-3000 [94BAU/COB] 2.21E+22 -2.0 0.00 -!There are alternative rate data in [94BAU/COB] for H2O and Ar as bath gases -!The 3rd body efficiencies for H2O and Ar were deduced from these data -! - CH3O + M = CH2O + H + M 1.55E14 0.00 56.46 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.3 300-1700 [94BAU/COB] (Ar) 5.42E13 0.00 56.46 -! - CH2OH + M = CH2O + H + M 1.26E16 0.00 125.60 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! E 1.0 1372-1842 [89HID/OKI2] 4.40E15 0.00 125.60 -! - - diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version4/3rdBodyReactions_simplest.txt b/output/RMG_database/kinetics_libraries/combustion_core/version4/3rdBodyReactions_simplest.txt deleted file mode 100644 index b38d103143..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version4/3rdBodyReactions_simplest.txt +++ /dev/null @@ -1,13 +0,0 @@ -// small molecule oxidation library, third body reaction file, version 2, JS, August 6, 2003 -// originally from Leeds methane oxidation mechanism v1.5 -// http://www.chem.leeds.ac.uk/Combustion/Combustion.html - -Unit: -A: mol/cm3/s -E: kJ/mol - -Reactions: - - O2 + H + M = HO2 + M 2.10E18 -0.8 0.00 -N2/0.67/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/0.0/ CH4/3.0/ C2H6/3.0/ AR/0.29/ - diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version4/3rdBodyReactions_simplified.txt b/output/RMG_database/kinetics_libraries/combustion_core/version4/3rdBodyReactions_simplified.txt deleted file mode 100644 index 6133feeac9..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version4/3rdBodyReactions_simplified.txt +++ /dev/null @@ -1,32 +0,0 @@ -// small molecule oxidation library, third body reaction file, version 2, JS, August 6, 2003 -// originally from Leeds methane oxidation mechanism v1.5 -// http://www.chem.leeds.ac.uk/Combustion/Combustion.html -// simplify this by using only one set of coefficient for every rxn - -Coefficients: -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - CO + O + M = CO2 + M 1.54E15 0.00 12.56 - - CH2O + M = HCO + H + M 1.40E36 -5.54 404.58 - - CH2O + M = H2 + CO + M 3.26E36 -5.54 404.58 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - CH2CO + M = CH2 + CO + M 6.57E15 0.00 241.03 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - HCO + M = H + CO + M 4.49E14 0.00 65.93 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - CH2(S) + M = CH2 + M 1.51E13 0.00 0.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/0.48/ C2H2/3.2/ C2H4/1.6/ C2H6/1.44/ AR/0.24/ - - CH3 + M = CH2 + H + M 2.91E16 0.00 379.14 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - C2H4 + M = C2H2 + H2 + M 9.97E16 0.00 299.32 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - O + O + M = O2 + M 5.40E13 0.00 -7.48 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version4/leeds_reaction.doc b/output/RMG_database/kinetics_libraries/combustion_core/version4/leeds_reaction.doc deleted file mode 100644 index 32e95e18d8d402568e4cebfcf8bef2ac405d3f0c..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 78336 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HCCO + H 5.06E06 2.1 6.57 *1.2 0 0 - C4H2 + O = C3H2 + CO 7.89E12 0.00 5.64 *2.0 0 0 - O2 + CO = CO2 + O 1.26E13 0.00 196.90 *1.7 0 0 - O2 + CH = CO + OH 1.66E13 0.00 0.00 *1.5 0 0 - O2 + CH = CO2 + H 1.66E13 0.00 0.00 *1.5 0 0 - O2 + CH2 = CO2 + H2 5.43E12 0.00 6.24 *1.5 0 0 - O2 + CH2 = CO2 + H + H 5.43E12 0.00 6.24 *1.5 0 0 - O2 + CH2 = CO + OH + H 8.15E12 0.00 6.24 *1.5 0 0 - O2 + CH2 = CO + H2O 1.48E12 0.00 6.24 *1.5 0 0 - O2 + CH2 = CH2O + O 4.20E12 0.00 6.24 *1.5 0 0 - O2 + CH2(S) = CO + OH + H 3.13E13 0.00 0.00 *1.5 0 0 - O2 + HCO = HO2 + CO 5.12E13 0.00 7.09 *1.3 0 0 - O2 + HCCO = CO + CO + OH 1.63E12 0.00 3.58 *1.7 0 0 - CO + OH = CO2 + H 1.66E07 1.30 -3.20 *1.5 0 0 - CO + HO2 = CO2 + OH 1.51E14 0.00 99.02 *1.3 0 0 - CO + CH = HCCO 2.77E11 0.00 -7.15 *2.0 0 0 - CO2 + CH = HCO + CO 3.43E12 0.00 2.87 *2.0 0 0 - CO2 + CH2 = CH2O + CO 2.35E10 0.00 0.00 *1.2 0 0 - CH2CO + H = CH3 + CO 1.81E13 0.00 14.13 *2.0 0 0 - CH2CO + O = CH2 + CO2 1.33E12 0.00 5.65 *1.3 0 0 - CH2CO + O = CH2O + CO 4.58E11 0.00 5.65 *1.3 0 0 - CH2CO + O = HCO + H + CO 2.52E11 0.00 5.65 *1.3 0 0 - CH2CO + O = HCO + HCO 2.52E11 0.00 5.65 *1.3 0 0 - CH2CO + OH = CH3 + CO2 2.52E12 0.00 0.00 *2.0 0 0 - CH2CO + OH = CH2OH + CO 4.68E12 0.00 0.00 *2.0 0 0 - H + HCO = CO + H2 9.03E13 0.00 0.00 *1.3 0 0 - H + HCCO = CH2 + CO 1.51E14 0.00 0.00 *1.4 0 0 - CH + O = CO + H 3.97E13 0.00 0.00 *1.5 0 0 - CH3 + HCO = CH4 + CO 1.20E14 0.00 0.00 *1.3 0 0 - C2H + O = CH + CO 1.00E13 0.00 0.00 *2.0 0 0 - C2H + OH = CH2 + CO 1.81E13 0.00 0.00 *1.7 0 0 - C2H3 + O = CO + CH3 3.00E13 0.00 0.00 *1.5 0 0 - H2CCCH + O = C2H2 + CO + H 1.39E14 0.00 0.00 *2.0 0 0 - O + HCO = CO + OH 3.01E13 0.00 0.00 *1.3 0 0 - O + HCCO = H + CO + CO 9.64E13 0.00 0.00 *1.3 0 0 - OH + HCO = H2O + CO 1.02E14 0.00 0.00 *1.3 0 0 - OH + HCCO = HCO + HCO 1.00E13 0.00 0.00 *2.0 0 0 - OH + HCCO = CH2O + CO 1.00E13 0.00 0.00 *2.0 0 0 - HCO + HCO = CH2O + CO 3.01E13 0.00 0.00 *1.3 0 0 - HCCO + HCCO = C2H2 + CO + CO 1.00E13 0.00 0.00 *2.0 0 0 - CH + HCCO = C2H2 + CO 5.00E13 0.00 0.00 *2.0 0 0 - CH2 + O = CO + H + H 7.20E13 0.00 0.00 *1.7 0 0 - CH2 + O = CO + H2 4.80E13 0.00 0.00 *1.7 0 0 - CH2 + HCO = CH3 + CO 1.81E13 0.00 0.00 *1.5 0 0 - CH2 + HCCO = C2H3 + CO 3.00E13 0.00 0.00 *2.0 0 0 - -// part with CO2 - O2 + C2H = CO2 + CH 9.05E12 0.00 0.00 *1.5 0 0 - O + HCO = CO2 + H 3.01E13 0.00 0.00 *1.3 0 0 - -// part with CH - CH4 + CH = C2H4 + H 3.01E13 0.00 -1.66 *2.0 0 0 - C2H2 + CH = C2H + CH2 2.11E14 0.00 -0.51 *2.0 0 0 - C2H4 + CH = C3H4 + H 1.32E14 0.00 -1.44 *2.0 0 0 - C2H6 + CH = C2H4 + CH3 1.08E14 0.00 -1.10 *2.0 0 0 - CH2O + CH = CH2 + HCO 9.64E13 0.00 -2.16 *2.0 0 0 - H + CH2 = CH + H2 6.02E12 0.00 -7.48 *1.7 0 0 - CH + CH2 = C2H2 + H 4.00E13 0.00 0.00 *2.0 0 0 - CH + CH3 = C2H3 + H 3.00E13 0.00 0.00 *2.0 0 0 - CH + C2H3 = CH2 + C2H2 5.00E13 0.00 0.00 *2.0 0 0 - CH + OH = HCO + H 3.00E13 0.00 0.00 *2.0 0 0 - -// part with CH2 and CH2(S) - CH2 + CH2 = C2H2 + H2 1.20E13 0.00 3.33 *1.5 0 0 - CH2 + CH2 = C2H2 + H + H 1.08E14 0.00 3.33 *1.5 0 0 - CH2 + CH3 = C2H4 + H 4.22E13 0.00 0.00 *1.4 0 0 - CH2 + C2H3 = C2H2 + CH3 1.81E13 0.00 0.00 *1.5 0 0 - CH2 + OH = CH2O + H 1.81E13 0.00 0.00 *1.5 0 0 - CH2 + HCCO = C2H + CH2O 1.00E13 0.00 8.37 *2.0 0 0 - CH4 + CH2 = CH3 + CH3 4.30E12 0.00 42.00 *2.0 0 0 - CH4 + CH2(S) = CH3 + CH3 7.00E13 0.00 0.00 *2.0 0 0 - C2H2 + CH2 = C3H4 1.20E13 0.00 27.69 *1.3 0 0 - C2H2 + CH2(S) = H2CCCH + H 1.75E14 0.00 0.00 *1.7 0 0 - H + CH2(S) = CH2 + H 2.00E14 0.00 0.00 *2.0 0 0 - H2 + CH2(S) = CH3 + H 7.23E13 0.00 0.00 *1.3 0 0 - C2H4 + CH2(S) = C3H6 9.64E13 0.00 0.00 *1.5 0 0 - C2H6 + CH2(S) = CH3 + C2H5 2.40E14 0.00 0.00 *2.0 0 0 - CH3 + OH = CH2(S) + H2O 7.23E13 0.00 11.64 *1.5 0 0 - -// others - C2H2 + C2H2 = H2CCCCH+ H 2.00E09 0.00 242.00 *1.5 0 0 - C2H2 + C2H = C4H2 + H 9.03E13 0.00 0.00 *1.5 0 0 - C2H4 + O = H + CH2HCO 4.74E06 1.88 0.75 *1.3 0 0 - C2H4 + O = CH3 + HCO 8.13E06 1.88 0.75 *1.3 0 0 - C2H4 + O = CH2CO + H2 6.80E05 1.88 0.75 *1.3 0 0 - C4H2 + OH = C3H2 + HCO 6.68E12 0.00 -1.71 *1.5 0 0 - O2 + H + H2O = HO2 + H2O 6.89E15 0.0 -8.73 *1.5 0 0 - O2 + H = OH + O 9.756E13 0.00 62.11 *1.3 0 0 - O2 + CH3 = CH2O + OH 3.31E11 0.00 37.42 *1.5 0 0 - O2 + C2H = HCCO + O 9.05E12 0.00 0.00 *1.5 0 0 - O2 + C3H2 = HCO + HCCO 1.00E13 0.00 0.00 *2.0 0 0 - O2 + H2CCCH = CH2CO + HCO 3.01E10 0.00 12.00 *2.0 0 0 - H2O2 + H = OH + H2O 2.41E13 0.00 16.59 *1.3 0 0 - CH3 + CH3 = C2H5 + H 3.01E13 0.00 56.54 *1.6 0 0 - H + HO2 = OH + OH 1.69E14 0.00 3.66 *1.3 0 0 - H + HO2 = H2O + O 3.01E13 0.00 7.20 *1.3 0 0 - H + CH2OH = CH3 + OH 1.02E13 0.00 0.00 *1.3 0 0 - CH3 + O = CH2O + H 8.43E13 0.00 0.00 *1.2 0 0 - CH3 + HO2 = CH3O + OH 1.80E13 0.00 0.00 *1.7 0 0 - C2H + OH = HCCO + H 2.00E13 0.00 0.00 *2.0 0 0 - C2H5 + O = CH2O + CH3 6.62E13 0.00 0.00 *1.5 0 0 - O2 + CH3 = CH3O + O 4.40E13 0.00 131.37 *1.5 0 0 - OH + OH = O + H2O 1.51E09 1.14 0.42 *1.2 0 0 - -// new adding from version 2 to version 3 - H2 + O = OH + H 5.12E04 2.67 26.27 *1.2 0 0 - H2O + H = H2 + OH 4.52E08 1.6 77.08 *1.2 0 0 - CH4 + O = CH3 + OH 7.23E08 1.56 35.5 *1.2 0 0 - CH4 + OH = CH3 + H2O 1.57E07 1.83 11.64 *1.15 0 0 - C2H2 + OH = C2H + H2O 6.00E13 0.00 54.04 *2.0 0 0 - C2H4 + H = C2H3 + H2 5.42E14 0.00 62.36 *1.5 0 0 - C2H4 + OH = C2H3 + H2O 2.05E13 0.00 24.86 *1.5 0 0 - C2H6 + H = C2H5 + H2 1.45E09 1.5 31.01 *1.3 0 0 - C2H6 + CH3 = C2H5 + CH4 1.51E-7 6.0 25.30 *1.2 0 0 - C2H6 + O = C2H5 + OH 1.00E09 1.5 24.28 *1.15 0 0 - C2H6 + OH = C2H5 + H2O 7.23E06 2.00 3.62 *1.1 0 0 - C2H6 + HO2 = H2O2 + C2H5 1.32E13 0.00 85.63 *1.3 0 0 - O2 + CH2O = HCO + HO2 6.02E13 0.00 170.11 *1.5 0 0 - O2 + CH3O = CH2O + HO2 2.17E10 0.00 7.32 *1.3 0 0 - H2O2 + H = HO2 + H2 1.69E12 0.00 15.71 *1.3 0 0 - H2O2 + O = OH + HO2 6.62E11 0.00 16.63 *1.3 0 0 - H2O2 + OH = H2O + HO2 7.83E12 0.00 5.57 *1.5 0 0 - CH2O + H = HCO + H2 1.26E08 1.62 9.06 *1.3 0 0 - CH2O + CH3 = CH4 + HCO 4.09E12 0.00 36.95 *1.2 0 0 - CH2O + O = HCO + OH 4.16E11 0.57 11.56 *1.3 0 0 - CH2O + OH = HCO + H2O 3.43E09 1.18 -1.87 *1.5 0 0 - H + HO2 = H2 + O2 4.28E13 0.00 5.90 *1.3 0 0 - H + CH3O = CH2O + H2 1.81E13 0.00 0.00 *1.5 0 0 - O + HO2 = O2 + OH 3.19E13 0.00 0.00 *1.5 0 0 - OH + HO2 = H2O + O2 2.89E13 0.00 -2.08 *1.5 0 0 - -// n-butane + HO2, JS, 12/10/2003, from NIST -// use C4H10 + HO2 in Pitz et al, Combustion and Flame, 63: 113-133(1986) - C4H10 + HO2 = C4H9_1 + H2O2 1.12E13 0 81.1 *2.0 0 0 - C4H10 + HO2 = C4H9_2 + H2O2 6.76E12 0 71.1 *2.0 0 0 - -// C4H10 + HO2 = C4H9_1 + H2O2 4.76E4 2.55 69.01 *2.0 0 0 -// C4H10 + HO2 = C4H9_2 + H2O2 9.63E3 2.6 58.20 *2.0 0 0 - - C4H10 + OH = C4H9_1 + H2O 3.31E7 1.8 3.99 *2.0 0 0 - C4H10 + OH = C4H9_2 + H2O 5.36E6 2.0 -2.49 *2.0 0 0 - -// CH2O + HO2 = HCO + H2O2 4.11E4 2.5 42.68 *2.0 0 0 - -// JS, from Kojima, S., Combustion and Flame, 99:87-136 -// C4H9O = CH3CHO + C2H5 2.51E14 0 61.1 *3.16 0 0 - -// HO2 disprop, from NIST -// use H2O2 + O2 in Pitz et al, Combustion and Flame, 63: 113-133(1986) - HO2 + HO2 = H2O2 + O2 1.0E13 0 4.18 *2.0 0 0 - -// From NIST - O2 + C2H3 = HCO + CH2O 4.56E16 -1.39 4.22 *3.16 0 0 - \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version4/reactions_comments.txt b/output/RMG_database/kinetics_libraries/combustion_core/version4/reactions_comments.txt deleted file mode 100644 index dd70ff2adb..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version4/reactions_comments.txt +++ /dev/null @@ -1,427 +0,0 @@ -// part with CO - C2H2 + O = CH2 + CO 2.17E06 2.1 6.57 - C2H2 + O = HCCO + H 5.06E06 2.1 6.57 -! A/A overall: 0.2 295-2500 [94BAU/COB] -! k2/k=0.7+-0.2 -! -! - C4H2 + O = C3H2 + CO 7.89E12 0.00 5.64 -! D 1.0 210- 423 [86MIT/NAV] -! - O2 + CO = CO2 + O 1.26E13 0.00 196.90 -! F 0.7 1000-1400 [91KOI] -! - O2 + CH = CO + OH 1.66E13 0.00 0.00 - O2 + CH = CO2 + H 1.66E13 0.00 0.00 -! O2+CH=>(CO+OH)(CO2+H)(HCO+O)(CO+H+O) -! k(overall)= 3.31E13 0.00 0.00 B/U 0.5 300-2000 [94BAU/COB] -! - O2 + CH2 = CO2 + H2 5.43E12 0.00 6.24 - O2 + CH2 = CO2 + H + H 5.43E12 0.00 6.24 - O2 + CH2 = CO + OH + H 8.15E12 0.00 6.24 - O2 + CH2 = CO + H2O 1.48E12 0.00 6.24 - O2 + CH2 = CH2O + O 4.20E12 0.00 6.24 -! O2+CH2=>(CO2+H2)(CO2+H+H)(CO+OH+H)(CO+H2O)(CH2O+O) -! k(overall)= 2.47E13 0.00 6.24 A 0.5 300-1000 [94BAU/COB] -! [94ALV/MOO] have measured the branching ratios at 298K: -! k(1+2)/k= 0.40+0.09-0.07; k(3+4)/k=0.34+-0.06; -! k(3)/k=0.30+-0.05; k(5)/k=0.16+-0.04 (The sum is 0.9) -! Based on the above numbers, the following branching ratios are used here: -! k(1)/k=0.22; k(2)/k=0.22; k(3)/k=0.33; k(4)/k=0.06; k(5)/k=0.17 -! - O2 + CH2(S) = CO + OH + H 3.13E13 0.00 0.00 -! O2+CH2(S)=>(CO+H+OH);(CO2+H2);(CO+H2O);(CH2+O2) -! k(overall)= 3.13E13 0.00 0.00 A/U 0.5 300-1000 [94BAU/COB] -! - O2 + HCO = HO2 + CO 3.01E12 0.00 0.00 -! O2+HCO=>(CO+HO2);(OH+CO2);(HCO3) -! k(overall)= 3.01E12 0.00 0.00 A/U 0.3 300-2500 [94BAU/COB] -! According to the measurements of Dobe et al. (unpublished) -! (HO2+CO) is the main channel until 600K -! - O2 + HCCO = CO + CO + OH 1.63E12 0.00 3.58 -! O2+HCCO=>(2CO+OH);(C2O+HO2) -! k(overall)= 1.63E12 0.00 3.58 B/U 0.7 300-550 [94BAU/COB] -! - CO + OH = CO2 + H 1.66E07 1.30 -3.20 -! A 0.5 250-2000 [76BAU/DRY] increased by 10% -! -! The [94BAU/COB] suggests 6.32E06 1.5 -2.08 A 0.5 300-2000 -! but [94MCL/SMI] claims that the [94BAU/COB] evaluation is based on wrong -! flame velocity measurements and the data of [76BAU/DRY] give better -! description of accurate flame velocity measurements and are in better -! agreement to direct kinetic measurements. -! [76BAU/DRY] suggests: -! k(cm**3 mol**-1 s**-1)= 10**7.18 T**1.3 exp(+385/T) -! valid for 250-2000K, unc= +-20%(at 300K) - +-50%(above 1000K) -! Note, that this expression was misprinted in [76BAU/DRY] -! the [76BAU/DRY] value: -! CO + OH = CO2 + H 1.51E07 1.30 -3.20 -! -! (10/7/97) the [76BAU/DRY] was increased by 10% to describe CO+OH flame velocities. -! -! - CO + HO2 = CO2 + OH 1.51E14 0.00 99.02 -! B 0.3 300-2500 [86TSA/HAM] -! - CO + CH = HCCO 2.77E11 0.00 -7.15 -! CO+CH=>(HCCO)(H+C2O) -! B/U 1.0 300-1000 [94BAU/COB] -! - CO2 + CH = HCO + CO 3.43E12 0.00 2.87 -! CO2+CH=>(HCO+CO)(C2O+OH) -! B/U 1.0 300-1000 [94BAU/COB] -! - CO2 + CH2 = CH2O + CO 2.35E10 0.00 0.00 -! B 0.2 300-2500 [86TSA/HAM] -! - - CH2CO + H = CH3 + CO 1.81E13 0.00 14.13 -! CH2CO+H=>(CH3+CO)(CH2CHO)(H2+HCCO) -! k(overall)= 1.81E13 0.00 14.13 B/U 1.0 200-2000 [94BAU/COB] -! k2/k is considered small => channel#2 is neglected -! channel#3 may be important at high temperature -! - CH2CO + O = CH2 + CO2 1.33E12 0.00 5.65 - CH2CO + O = CH2O + CO 4.58E11 0.00 5.65 - CH2CO + O = HCO + H + CO 2.52E11 0.00 5.65 - CH2CO + O = HCO + HCO 2.52E11 0.00 5.65 -! CH2CO+O=>(CH2+CO2)(CH2O+CO)(HCO+H+CO)(HCO+HCO) -! k(overall)= 2.29E12 0.00 5.65 B/U 0.3 230-500 [94BAU/COB] -! Information about branching ratios: -! [83WAS/HAT] k(2)/k = 20%+-10% -! [92OEH] k(1)/k = 58%+-10% -! (0.5 k(3)+k(4))/k = 21%+-5% -! We use here k(1)/k= 0.58, k(2)/k= 0.20, k(3)/k= 0.11, and k(4)/k= 0.11 -! - CH2CO + OH = CH3 + CO2 2.52E12 0.00 0.00 - CH2CO + OH = CH2OH + CO 4.68E12 0.00 0.00 -! CH2CO+OH=>(CH3+CO2)(CH2OH+CO)(CH3O+CO)(HCO+CH2O)(HCCO+H2O)(CH2O+H+CO) -! k(overall)= 7.20E12 0.00 0.00 D/U 296 [92OEH/TEM] -! According to the measurements of [94GRU/NOL] -! k(2)/k=0.60+-0.10; k(4)/k<0.02; k(5)/k<0.01; estimated: k(1)/k= 0.25 -! We use here k(1)/k= 0.35 and k(2)/k= 0.65 -! - H + HCO = CO + H2 9.03E13 0.00 0.00 -! A 0.3 300-2500 [94BAU/COB] -! - H + HCCO = CH2 + CO 1.51E14 0.00 0.00 -! B 0.4 300-2500 [94BAU/COB] -! - CH + O = CO + H 3.97E13 0.00 0.00 -! A 0.5 300-2000 [94BAU/COB] -! - CH3 + HCO = CH4 + CO 1.20E14 0.00 0.00 -! B 0.3 300-2500 [86TSA/HAM] -! - C2H + O = CH + CO 1.00E13 0.00 0.00 -! B 1.0 300-2500 [94BAU/COB] -! - C2H + OH = CH2 + CO 1.81E13 0.00 0.00 -! U/U 0.7 300-2500 [86TSA/HAM] -! -! C2H+OH=>CH2+CO 1.81E13 0.00 0.00 B* 0.7 300-2500 - C2H3 + O = CO + CH3 3.00E13 0.00 0.00 -! C2H3+O=>(CO+CH3)(OH+C2H2)(HCO+CH2) -! B/U 0.5 300-2000 [94BAU/COB] -! probably channel#1 is dominant -! - H2CCCH + O = C2H2 + CO + H 1.39E14 0.00 0.00 -! D 1.0 295- 750 [91SLA/GUT] -! [91SLA/GUT] have suggested (C3H2O+H) as products, -! but a fast decomposition of C3H2O to C2H2 and CO is assumed. -! - O + HCO = CO + OH 3.01E13 0.00 0.00 -! A 0.3 300-2500 [94BAU/COB] -! - O + HCCO = H + CO + CO 9.64E13 0.00 0.00 -! A 0.3 300-2500 [94BAU/COB] -! - OH + HCO = H2O + CO 1.02E14 0.00 0.00 -! B 0.3 300-2500 [94BAU/COB] -! - OH + HCCO = HCO + HCO 1.00E13 0.00 0.00 - OH + HCCO = CH2O + CO 1.00E13 0.00 0.00 -! U/U 1.0 -! - HCO + HCO = CH2O + CO 3.01E13 0.00 0.00 -! B 0.3 300 [94BAU/COB] -! - HCCO + HCCO = C2H2 + CO + CO 1.00E13 0.00 0.00 -! U/U 1.0 [89MIL/BOW] -! - CH + HCCO = C2H2 + CO 5.00E13 0.00 0.00 -! CH+HCCO=>(C2H2+CO)(C2H+HCO) -! U/U 1.0 [89MIL/BOW] -! - CH2 + O = CO + H + H 7.20E13 0.00 0.00 - CH2 + O = CO + H2 4.80E13 0.00 0.00 -! CH2+O=>(CO+2H);(CO+H2) 1.20E14 0.00 0.00 -! A/B 0.7 300-2500 [94BAU/COB] -! k1/k=0.6+-0.3 -! - CH2 + HCO = CH3 + CO 1.81E13 0.00 0.00 -! U 0.5 300-2500 [86TSA/HAM] -! - CH2 + HCCO = C2H3 + CO 3.00E13 0.00 0.00 -! U/U 1.0 [86GLA/MIL] -! -// part with CO2 - O2 + C2H = CO2 + CH 9.05E12 0.00 0.00 -! O2+C2H=>(HCCO+O)(CO2+CH);(2CO+H);(C2HO+O);(CO+HCO) -! k(overall)= 1.81E13 0.00 0.00 B/U 0.5 300 [94BAU/COB] -! According to the measurements of Seakins et al (unpublished) -! (HCCO+O)(CO2+CH) are the two most likely channels -! -! O2 + C2H3 = CH2O + HCO 5.42E12 0.00 0.00 - O + HCO = CO2 + H 3.01E13 0.00 0.00 -! A 0.3 300-2500 [94BAU/COB] -! - -// part with CH - CH4 + CH = C2H4 + H 3.01E13 0.00 -1.66 -! -! B 1.0 200-700 [94BAU/COB] -! - C2H2 + CH = C2H + CH2 2.11E14 0.00 -0.51 -! C2H2+CH=>(C2H+CH2)(C3H2+H) -! B/U 1.0 200- 700 [94BAU/COB] -! - C2H4 + CH = C3H4 + H 1.32E14 0.00 -1.44 -! C2H4+CH=>(C3H4+H)(CH2+C2H3) -! B/U 1.0 200- 700 [94BAU/COB] -! - C2H6 + CH = C2H4 + CH3 1.08E14 0.00 -1.10 -! C2H6+CH=>(C2H4+CH3)(C3H6+H) -! B/U 1.0 200- 700 [94BAU/COB] -! - CH2O + CH = CH2 + HCO 9.64E13 0.00 -2.16 -! CH2O+CH=>(CH2+HCO)(CH2CO+H)(CH2CHO) -! k(overall)= 9.64E13 0.00 -2.16 B/U 1.0 300-700 [94BAU/COB] -! - H + CH2 = CH + H2 6.02E12 0.00 -7.48 -! B 0.7 300-3000 [94BAU/COB] -! - CH + CH2 = C2H2 + H 4.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - CH + CH3 = C2H3 + H 3.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - CH + C2H3 = CH2 + C2H2 5.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - CH + OH = HCO + H 3.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - -// part with CH2 and CH2(S) - CH2 + CH2 = C2H2 + H2 1.20E13 0.00 3.33 - CH2 + CH2 = C2H2 + H + H 1.08E14 0.00 3.33 -! CH2+CH2=>(C2H2+H2);(C2H2+H+H) -! k(overall)= 1.20E14 0.00 3.33 B/B 0.5 300-3000 [94BAU/COB] -! k2/k=0.9+-0.1 -! - CH2 + CH3 = C2H4 + H 4.22E13 0.00 0.00 -! B 0.4 300-3000 [94BAU/COB] -! - CH2 + C2H3 = C2H2 + CH3 1.81E13 0.00 0.00 -! S 0.5 300-2500 [86TSA/HAM] -! - CH2 + OH = CH2O + H 1.81E13 0.00 0.00 -! U 0.5 300-2500 [86TSA/HAM] -! - CH2 + HCCO = C2H + CH2O 1.00E13 0.00 8.37 -! U/U 1.0 [86GLA/MIL] -! - CH4 + CH2 = CH3 + CH3 4.30E12 0.00 42.00 -! D 1.0 296-707 [85BOH/DOB] -! - CH4 + CH2(S) = CH3 + CH3 7.00E13 0.00 0.00 -! D 1.0 298 [80ASH/FUL], [83LAN/PET] -! - C2H2 + CH2 = C3H4 1.20E13 0.00 27.69 -! B 0.3 300-1000 [94BAU/COB] -! - C2H2 + CH2(S) = H2CCCH + H 1.75E14 0.00 0.00 -! C2H2+CH2(S)=>(CH2CCH2);(CH3CCH);(H2CCCH+H) -! B/U 0.7 300-1000 [94BAU/COB] -! - H + CH2(S) = CH2 + H 2.00E14 0.00 0.00 -! H+CH2(S)=>(CH2+H)(CH+H2) -! U/U 1.0 [89MIL/BOW] -! - H2 + CH2(S) = CH3 + H 7.23E13 0.00 0.00 -! A 0.3 300 - 1000 [94BAU/COB] -! - C2H4 + CH2(S) = C3H6 9.64E13 0.00 0.00 -! B 0.5 300-1000 [94BAU/COB] -! -! - C2H6 + CH2(S) = CH3 + C2H5 2.40E14 0.00 0.00 -! D 1.0 298 [83LAN/PET] -! - CH3 + OH = CH2(S) + H2O 7.23E13 0.00 11.64 -! B 0.5 300-1000 [94BAU/COB] -! corrected factor of ten error on cec summary page -! -! - -// others - C2H2 + C2H2 = H2CCCCH+ H 2.00E09 0.00 242.00 -! S 1.0 700-1300 [88DUR/AMO] -! - C2H2 + C2H = C4H2 + H 9.03E13 0.00 0.00 -! B 0.5 300-2700 [94BAU/COB] -! - C2H4 + O = H + CH2HCO 4.74E06 1.88 0.75 - C2H4 + O = CH3 + HCO 8.13E06 1.88 0.75 - C2H4 + O = CH2CO + H2 6.80E05 1.88 0.75 -! C2H4+O=>(H+CH2CHO);(HCO+CH3);(CH2O+CH2);CH2CO+H2) -! A/B overall: 0.3 300-2000 [94BAU/COB] -! k1/k= 0.35+-0.05 k2/k=0.6+-0.10 k3/k=0 k4/k=0.05+-0.10 -! - C4H2 + OH = C3H2 + HCO 6.68E12 0.00 -1.71 -! C4H2+OH=>(C3H2+HCO)(C4H+H2O) -! D/U 0.3 296- 688 [84PER] -! - O2 + H + H2O = HO2 + H2O 6.89E15 0.0 -8.73 -! D 1.0 298- 639 [89HSU/AND] -! - O2 + H = OH + O 9.756E13 0.00 62.11 -! A 0.3 300-5000 [94BAU/COB] -! - O2 + CH3 = CH2O + OH 3.31E11 0.00 37.42 -! B 0.5 1000-2500 [94BAU/COB] -! -! - O2 + C2H = HCCO + O 9.05E12 0.00 0.00 - O2 + C3H2 = HCO + HCCO 1.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - O2 + H2CCCH = CH2CO + HCO 3.01E10 0.00 12.00 -! D 1.0 500- 900 [88SLA/GUT] -! - H2O2 + H = OH + H2O 1.02E13 0.00 14.97 -! A 0.3 300-1000 [94BAU/COB] -! - CH3 + CH3 = C2H5 + H 3.01E13 0.00 56.54 -! B 0.6 1300-2500 [94BAU/COB] -! - H + HO2 = OH + OH 1.69E14 0.00 3.66 -! A 0.3 300-1000 [94BAU/COB] -! - H + HO2 = H2O + O 3.01E13 0.00 7.20 -! A 0.3 300-1000 [94BAU/COB] -! - H + CH2OH = CH3 + OH 1.02E13 0.00 0.00 - CH3 + O = CH2O + H 8.43E13 0.00 0.00 -! A 0.2 300-2500 [94BAU/COB] -! -! - CH3 + HO2 = CH3O + OH 1.80E13 0.00 0.00 -! B 0.7 300-2500 [94BAU/COB] -! - C2H + OH = HCCO + H 2.00E13 0.00 0.00 -! U/U 1.0 [89MIL/BOW] -! - C2H5 + O = CH2O + CH3 6.62E13 0.00 0.00 -! C2H5+O=>(CH3CHO+H);(CH2O+CH3) -! k(overall)= 6.62E13 0.00 0.00 B/U 0.5 300-2500 [94BAU/COB] -! k2/k= 0.17+-0.2 at 300K -! This reaction produces mainly CH3CHO, at least near room temperature. -! However, we do not want to include CH3CHO in this mechanism. -! The overall rate is used for a good account of the removal of radicals -! C2H5 and O -! - O2 + CH3 = CH3O + O 4.40E13 0.00 131.37 -! B 0.5 300-2500 [94BAU/COB] -! reduced x3 from cec recommendation, improved ignition delay -! calculations in methane/oxygen/argon, (no effect in flame speed -! calculations) -! - OH + OH = O + H2O 1.51E09 1.14 0.42 -! A 0.2 250-2500 [94BAU/COB] -! - -// new adding from version 2 to version 3 - H2 + O = OH + H 5.12E04 2.67 26.27 -! A 0.2 300 - 2500 [94BAU/COB] -! - H2O + H = H2 + OH 4.52E08 1.6 77.08 -! A 0.2 300-2500 [94BAU/COB] -! - CH4 + O = CH3 + OH 7.23E08 1.56 35.5 -! A 0.2 300-2500 [94BAU/COB] -! - CH4 + OH = CH3 + H2O 1.57E07 1.83 11.64 -! A 0.15 250-2500 [94BAU/COB] -! - C2H2 + OH = C2H + H2O 6.00E13 0.00 54.04 -! C2H2+OH=>(H2O+C2H);(H+CH2CO);(C2H2OH) -! k(1+2)= 6.02E13 0.00 54.04 B/U 1.0 1000-2000 [94BAU/COB] -! channel#3 is important at low temperature and high pressure -! - C2H4 + H = C2H3 + H2 5.42E14 0.00 62.36 -! A 0.5 700-2000 [94BAU/COB] -! - C2H4 + OH = C2H3 + H2O 2.05E13 0.00 24.86 -! B 0.5 650-1500 [94BAU/COB] -! - C2H6 + H = C2H5 + H2 1.45E09 1.5 31.01 -! A 0.3 300-2000 [94BAU/COB] -! - C2H6 + CH3 = C2H5 + CH4 1.51E-7 6.0 25.30 -! A 0.2 300-1500 [94BAU/COB] -! - C2H6 + O = C2H5 + OH 1.00E09 1.5 24.28 -! A 0.15 300-1200 [94BAU/COB] -! - C2H6 + OH = C2H5 + H2O 7.23E06 2.00 3.62 -! A 0.1 250-2000 [94BAU/COB] -! - C2H6 + HO2 = H2O2 + C2H5 1.32E13 0.00 85.63 -! B 0.3 500-1000 [94BAU/COB] -! - O2 + CH2O = HCO + HO2 6.02E13 0.00 170.11 -! B 0.5 700-1000 [94BAU/COB] -! - O2 + CH3O = CH2O + HO2 2.17E10 0.00 7.32 -! A 0.3 300-1000 [94BAU/COB] -! - H2O2 + H = HO2 + H2 1.69E12 0.00 15.71 -! A 0.3 300-1000 [94BAU/COB] -! - H2O2 + O = OH + HO2 6.62E11 0.00 16.63 -! A 0.3 300- 500 [94BAU/COB] -! - H2O2 + OH = H2O + HO2 7.83E12 0.00 5.57 -! A 0.5 300-1000 [94BAU/COB] -! - CH2O + H = HCO + H2 1.26E08 1.62 9.06 -! A 0.3 300-1700 [94BAU/COB] -! - CH2O + CH3 = CH4 + HCO 7.83E-08 6.1 8.23 -! A 0.2 300-2000 [94BAU/COB] -! - CH2O + O = HCO + OH 4.16E11 0.57 11.56 -! A 0.3 250-2200 [94BAU/COB] -! - CH2O + OH = HCO + H2O 3.43E09 1.18 -1.87 -! A 0.5 300-3000 [94BAU/COB] -! - H + HO2 = H2 + O2 4.28E13 0.00 5.90 -! A 0.3 300-1000 [94BAU/COB] -! - H + CH3O = CH2O + H2 1.81E13 0.00 0.00 -! A 0.5 300-1000 [94BAU/COB] -! -! -! -! - O + HO2 = O2 + OH 3.19E13 0.00 0.00 -! A 0.5 300-1000 [94BAU/COB] -! - OH + HO2 = H2O + O2 2.89E13 0.00 -2.08 -! A 0.5 300-2000 [94BAU/COB] -! diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version4/readMe.txt b/output/RMG_database/kinetics_libraries/combustion_core/version4/readMe.txt deleted file mode 100644 index 381310cc37..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version4/readMe.txt +++ /dev/null @@ -1,3 +0,0 @@ -from version 3 to version 4, we have now pdep calculation embedded in RMG, so -(1) get rid of all third body reaction list -(2) get rid of p dep reactions added in version 2 diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version4/species.txt b/output/RMG_database/kinetics_libraries/combustion_core/version4/species.txt deleted file mode 100644 index 82c7549258..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version4/species.txt +++ /dev/null @@ -1,170 +0,0 @@ -// small molecule oxidation library, species file, version 2, JS, August 6, 2003 -// originally from Leeds methane oxidation mechanism v1.5 -// http://www.chem.leeds.ac.uk/Combustion/Combustion.html -// Note: every species except C in Leeds mechanism are included in our small molecule oxidation library -// some quesion remained: is C3H2 singlet or triplet? I made it triplet, need to be clarified. - - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -CH4 -1 C 0 - -C2H2 -1 C 0 {2,T} -2 C 0 {1,T} - -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - -C2H6 -1 C 0 {2,S} -2 C 0 {1,S} - -C3H4 -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} - -C3H6 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} - -C4H2 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - -H2O -1 O 0 - -H2O2 -1 O 0 {2,S} -2 O 0 {1,S} - -CO -1 C 2T {2,D} -2 O 0 {1,D} - -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -CH2O -1 C 0 {2,D} -2 O 0 {1,D} - -CH2CO -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -H -1 H 1 - -CH -1 C 3 - -CH2 -1 C 2T - -CH2(S) -1 C 2S - -CH3 -1 C 1 - -C2H -1 C 1 {2,T} -2 C 0 {1,T} - -C2H3 -1 C 1 {2,D} -2 C 0 {1,D} - -C2H5 -1 C 1 {2,S} -2 C 0 {1,S} - -C3H2 -1 C 2S {2,S} {3,S} -2 C 0 {1,S} {3,D} -3 C 0 {1,S} {2,D} - -H2CCCH -1 C 1 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} - -H2CCCCH -1 C 0 {2,D} -2 C 1 {1,D} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -O -1 O 2T - -OH -1 O 1 - -HO2 -1 O 1 {2,S} -2 O 0 {1,S} - -HCO -1 C 1 {2,D} -2 O 0 {1,D} - -CH3O -1 C 0 {2,S} -2 O 1 {1,S} - -CH2OH -1 C 1 {2,S} -2 O 0 {1,S} - -HCCO -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -CH2HCO -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -C3H5 -1 C 0 {2,D} {3,S} -2 C 0 {1,D} -3 C 1 {1,S} - -C4H10 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -C4H9_1 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} - -C4H9_2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 1 {2,S} {4,S} -4 C 0 {3,S} - - diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version4/species_old.txt b/output/RMG_database/kinetics_libraries/combustion_core/version4/species_old.txt deleted file mode 100644 index 71cae141b2..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version4/species_old.txt +++ /dev/null @@ -1,272 +0,0 @@ -// small molecule oxidation library, species file, version 2, JS, August 6, 2003 -// originally from Leeds methane oxidation mechanism v1.5 -// http://www.chem.leeds.ac.uk/Combustion/Combustion.html -// Note: every species except C in Leeds mechanism are included in our small molecule oxidation library -// some quesion remained: is C3H2 singlet or triplet? I made it triplet, need to be clarified. - - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -CH4 -1 C 0 - -C2H2 -1 C 0 {2,T} -2 C 0 {1,T} - -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - -C2H6 -1 C 0 {2,S} -2 C 0 {1,S} - -C3H4 -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} - -C3H6 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} - -C4H2 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - -H2O -1 O 0 - -H2O2 -1 O 0 {2,S} -2 O 0 {1,S} - -CO -1 C 2T {2,D} -2 O 0 {1,D} - -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -CH2O -1 C 0 {2,D} -2 O 0 {1,D} - -CH2CO -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -H -1 H 1 - -CH -1 C 3 - -CH2 -1 C 2T - -CH2(S) -1 C 2S - -CH3 -1 C 1 - -C2H -1 C 1 {2,T} -2 C 0 {1,T} - -C2H3 -1 C 1 {2,D} -2 C 0 {1,D} - -C2H5 -1 C 1 {2,S} -2 C 0 {1,S} - -C3H2 -1 C 2S {2,S} {3,S} -2 C 0 {1,S} {3,D} -3 C 0 {1,S} {2,D} - -H2CCCH -1 C 1 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} - -H2CCCCH -1 C 0 {2,D} -2 C 1 {1,D} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -O -1 O 2T - -OH -1 O 1 - -HO2 -1 O 1 {2,S} -2 O 0 {1,S} - -HCO -1 C 1 {2,D} -2 O 0 {1,D} - -CH3O -1 C 0 {2,S} -2 O 1 {1,S} - -CH2OH -1 C 1 {2,S} -2 O 0 {1,S} - -HCCO -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -CH2HCO -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -// P-DEPENDENT SPECIES -CH3O2_1 -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 1 {2,S} - -// P-DEPENDENT SPECIES -CH2OOH -1 C 1 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} - -C3H5 -1 C 0 {2,D} {3,S} -2 C 0 {1,D} -3 C 1 {1,S} - -// P-DEPENDENT SPECIES -C3H5O2 -1 C 0 {2,D} {3,S} -2 C 0 {1,D} -3 C 0 {1,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} - -// P-DEPENDENT SPECIES -C3H4OOH -1 C 1 {2,D} {3,S} -2 C 0 {1,D} -3 C 0 {1,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -// P-DEPENDENT SPECIES -C2H5O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 1 {3,S} - -// P-DEPENDENT SPECIES -C2H4OOH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - -C3H7 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} - -// P-DEPENDENT SPECIES -C3H7O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} -5 O 1 {4,S} - -// P-DEPENDENT SPECIES -C3H6OOH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} -5 O 0 {4,S} - -C2H3O3 -1 C 0 {2,S} {3,D} -2 C 0 {1,S} {4,S} -3 O 0 {1,D} -4 O 0 {2,S} {5,S} -5 O 1 {4,S} - -CHO3 -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 O 1 {3,S} - -CH3O3_1 -1 C 0 {2,S} {3,S} -2 O 1 {1,S} -3 O 0 {1,S} {4,S} -4 O 0 {3,S} - -CH3O3_2 -1 C 0 {2,S} {3,S} -2 O 0 {1,S} -3 O 0 {1,S} {4,S} -4 O 1 {3,S} - -C4H10 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -C4H9_1 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} - -C4H9_2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 1 {2,S} {4,S} -4 C 0 {3,S} - -C4H9O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 1 {5,S} - -C4H8OOH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} \ No newline at end of file diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version5/3rdBodyReactions_comments.txt b/output/RMG_database/kinetics_libraries/combustion_core/version5/3rdBodyReactions_comments.txt deleted file mode 100644 index c19962073b..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version5/3rdBodyReactions_comments.txt +++ /dev/null @@ -1,87 +0,0 @@ - CO + O + M = CO2 + M 1.54E15 0.00 12.56 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for N2; the original data: -! B 0.4 300-2500 [86TSA/HAM] (N2) 6.17E14 0.00 12.56 -! - CH2O + M = HCO + H + M 1.40E36 -5.54 404.58 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - CH2O + M = H2 + CO + M 3.26E36 -5.54 404.58 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! CH2O+M=>(HCO+H+M);(H2+CO+M) -! k(1+2; original)= 1.63E36 -5.54 404.58 B/B 0.3 1700-3200 [94BAU/COB] -! k(1+2; scaled)= 4.66E36 -5.54 404.58 -! k(2)/k= 0.7+-0.4 T=2000-3000K -! - CH2CO + M = CH2 + CO + M 6.57E15 0.00 241.03 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! E 1.0 1650-1850 [86FRA/BHA] (Ar) 2.30E15 0.00 241.03 -! - HCO + M = H + CO + M 4.49E14 0.00 65.93 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! A 0.5 600-2500 [94BAU/COB] (Ar) 1.57E14 0.00 65.93 -! - CH2(S) + M = CH2 + M 1.51E13 0.00 0.00 -N2/.4/ O2/.4/ CO/.75/ CO2/1.5/ H2O/6.5/ CH4/.48/ C2H2/3.2/ C2H4/1.6/ - C2H6/1.44/ AR/.24/ -! scaled for N2; the original data: -! B 0.3 300-2000 [94BAU/COB] 6.02E12 0.00 0.00 -! 3rd body efficiences for CH4,C2H2,C2H4,C2H6,Ar were taken from [94BAU/COB] -! - CH3 + M = CH2 + H + M 2.91E16 0.00 379.14 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.5 1500-3000 [94BAU/COB] (Ar) 1.02E16 0.00 379.14 -! - C2H4 + M = C2H2 + H2 + M 9.97E16 0.00 299.32 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.3 1500-3200 [94BAU/COB] (Ar) 3.49E16 0.00 299.32 -! - O + O + M = O2 + M 5.40E13 0.00 -7.48 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! A 0.114 200-4000 [86TSA/HAM] (Ar) 1.89E13 0.00 -7.48 -! - C2H4 + M = C2H3 + H + M 7.40E17 0.00 404.09 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.5 1500-3200 [94BAU/COB] (Ar,Kr) 2.59E17 0.00 404.09 -! - O2 + H + M = HO2 + M 2.10E18 -0.8 0.00 -N2/0.67/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/0.0/ CH4/3.0/ C2H6/3.0/ AR/0.29/ -! not scaled because rate data refer to H2 -! [94BAU/COB] gives 3rd body efficiencies for N2 and Ar -! B 0.5 300-2000 [94BAU/COB] (H2) 2.10E18 -0.8 0.00 -! - H + H + M = H2 + M 1.87E18 -1.00 0.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ H2/0.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.5 300-2500 [94BAU/COB] (Ar) 6.53E17 -1.00 0.00 -! - H + O + M = OH + M 1.18E19 -1.0 0.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for N2; the original data: -! S 0.7 300-2500 [86TSA/HAM] 4.71E18 -1.0 0.00 -! - H + OH + M = H2O + M 5.53E+22 -2.0 0.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/2.55/ CH4/3.0/ C2H6/3.0/ AR/0.15/ -! scaled for N2; the original data: -! B 0.5 300-3000 [94BAU/COB] 2.21E+22 -2.0 0.00 -!There are alternative rate data in [94BAU/COB] for H2O and Ar as bath gases -!The 3rd body efficiencies for H2O and Ar were deduced from these data -! - CH3O + M = CH2O + H + M 1.55E14 0.00 56.46 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! B 0.3 300-1700 [94BAU/COB] (Ar) 5.42E13 0.00 56.46 -! - CH2OH + M = CH2O + H + M 1.26E16 0.00 125.60 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ -! scaled for Ar; the original data: -! E 1.0 1372-1842 [89HID/OKI2] 4.40E15 0.00 125.60 -! - - diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version5/3rdBodyReactions_simplest.txt b/output/RMG_database/kinetics_libraries/combustion_core/version5/3rdBodyReactions_simplest.txt deleted file mode 100644 index b38d103143..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version5/3rdBodyReactions_simplest.txt +++ /dev/null @@ -1,13 +0,0 @@ -// small molecule oxidation library, third body reaction file, version 2, JS, August 6, 2003 -// originally from Leeds methane oxidation mechanism v1.5 -// http://www.chem.leeds.ac.uk/Combustion/Combustion.html - -Unit: -A: mol/cm3/s -E: kJ/mol - -Reactions: - - O2 + H + M = HO2 + M 2.10E18 -0.8 0.00 -N2/0.67/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/0.0/ CH4/3.0/ C2H6/3.0/ AR/0.29/ - diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version5/3rdBodyReactions_simplified.txt b/output/RMG_database/kinetics_libraries/combustion_core/version5/3rdBodyReactions_simplified.txt deleted file mode 100644 index 6133feeac9..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version5/3rdBodyReactions_simplified.txt +++ /dev/null @@ -1,32 +0,0 @@ -// small molecule oxidation library, third body reaction file, version 2, JS, August 6, 2003 -// originally from Leeds methane oxidation mechanism v1.5 -// http://www.chem.leeds.ac.uk/Combustion/Combustion.html -// simplify this by using only one set of coefficient for every rxn - -Coefficients: -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - CO + O + M = CO2 + M 1.54E15 0.00 12.56 - - CH2O + M = HCO + H + M 1.40E36 -5.54 404.58 - - CH2O + M = H2 + CO + M 3.26E36 -5.54 404.58 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - CH2CO + M = CH2 + CO + M 6.57E15 0.00 241.03 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - HCO + M = H + CO + M 4.49E14 0.00 65.93 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - CH2(S) + M = CH2 + M 1.51E13 0.00 0.00 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/0.48/ C2H2/3.2/ C2H4/1.6/ C2H6/1.44/ AR/0.24/ - - CH3 + M = CH2 + H + M 2.91E16 0.00 379.14 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - C2H4 + M = C2H2 + H2 + M 9.97E16 0.00 299.32 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ - - O + O + M = O2 + M 5.40E13 0.00 -7.48 -N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/ C2H6/3.0/ AR/0.35/ diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version5/leeds_reaction.doc b/output/RMG_database/kinetics_libraries/combustion_core/version5/leeds_reaction.doc deleted file mode 100644 index 32e95e18d8d402568e4cebfcf8bef2ac405d3f0c..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 78336 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71.128 0.0 0.0 0.0 -H2/2.00/ H2O/ .00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ - -//1/25/12: replacement for JP-10 modelling -//! based on Jasper et al. JPCA 111, 2007, 3932-3950, fitted to Chebyshev form from a variant of Troe form using RMG-Py for Ar bath gas; the first coefficient supplied by old version of RMG-Py (now fixed by jwallen) was increased by log10 (Na~6.022E23) to convert to units of cm3/mole/s -CH3 + OH (+m) = CH2(S) + H2O (+m) 1.0E0 0.0 0.0 0.0 0.0 0.0 -TCHEB / 300.0 3000.0 / PCHEB / 0.0013156 131.56 / -CHEB / 6 4 / -CHEB / 1.24209299e+01 -7.99240713e-01 -2.99133178e-01 -1.43011979e-02 / -CHEB / 2.36291289e-01 8.56853348e-01 2.46313173e-01 -4.63755433e-02 / -CHEB / -8.27560935e-02 4.57236062e-02 1.05699460e-01 5.75309563e-02 / -CHEB / -4.91450296e-02 -7.60609148e-02 -2.14573921e-02 2.47001354e-02 / -CHEB / -6.64555754e-03 -4.12732608e-02 -3.08561333e-02 -9.59838131e-03 / -CHEB / 1.11918541e-02 -6.49913529e-03 -1.06088313e-02 -1.37528297e-02 / diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version5/picked.doc b/output/RMG_database/kinetics_libraries/combustion_core/version5/picked.doc deleted file 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change E into positive, change A into 5.12E13 according to NIST - - -Unit: -A: mol/cm3/s -E: kJ/mol - -Reactions: -// part with CO - C2H2 + O = CH2 + CO 2.17E06 2.1 6.57 *1.2 0 0 - C2H2 + O = HCCO + H 5.06E06 2.1 6.57 *1.2 0 0 -// C4H2 + O = C3H2 + CO 7.89E12 0.00 5.64 *2.0 0 0 - O2 + CO = CO2 + O 1.26E13 0.00 196.90 *1.7 0 0 -// O2 + CH = CO + OH 1.66E13 0.00 0.00 *1.5 0 0 -// O2 + CH = CO2 + H 1.66E13 0.00 0.00 *1.5 0 0 - O2 + CH2 = CO2 + H2 5.43E12 0.00 6.24 *1.5 0 0 - O2 + CH2 = CO2 + H + H 5.43E12 0.00 6.24 *1.5 0 0 - O2 + CH2 = CO + OH + H 8.15E12 0.00 6.24 *1.5 0 0 - O2 + CH2 = CO + H2O 1.48E12 0.00 6.24 *1.5 0 0 - O2 + CH2 = CH2O + O 4.20E12 0.00 6.24 *1.5 0 0 - O2 + CH2(S) = CO + OH + H 3.13E13 0.00 0.00 *1.5 0 0 - O2 + HCO = HO2 + CO 5.12E13 0.00 7.09 *1.3 0 0 - O2 + HCCO = CO + CO + OH 1.63E12 0.00 3.58 *1.7 0 0 - CO + OH = CO2 + H 1.66E07 1.30 -3.20 *1.5 0 0 - CO + HO2 = CO2 + OH 1.51E14 0.00 99.02 *1.3 0 0 -// CO + CH = HCCO 2.77E11 0.00 -7.15 *2.0 0 0 -// CO2 + CH = HCO + CO 3.43E12 0.00 2.87 *2.0 0 0 - CO2 + CH2 = CH2O + CO 2.35E10 0.00 0.00 *1.2 0 0 - CH2CO + H = CH3 + CO 1.81E13 0.00 14.13 *2.0 0 0 - CH2CO + O = CH2 + CO2 1.33E12 0.00 5.65 *1.3 0 0 - CH2CO + O = CH2O + CO 4.58E11 0.00 5.65 *1.3 0 0 - CH2CO + O = HCO + H + CO 2.52E11 0.00 5.65 *1.3 0 0 - CH2CO + O = HCO + HCO 2.52E11 0.00 5.65 *1.3 0 0 - CH2CO + OH = CH3 + CO2 2.52E12 0.00 0.00 *2.0 0 0 - CH2CO + OH = CH2OH + CO 4.68E12 0.00 0.00 *2.0 0 0 - H + HCO = CO + H2 9.03E13 0.00 0.00 *1.3 0 0 -// H + HCCO = CH2 + CO 1.51E14 0.00 0.00 *1.4 0 0 -// CH + O = CO + H 3.97E13 0.00 0.00 *1.5 0 0 - CH3 + HCO = CH4 + CO 1.20E14 0.00 0.00 *1.3 0 0 -// C2H + O = CH + CO 1.00E13 0.00 0.00 *2.0 0 0 - C2H + OH = CH2 + CO 1.81E13 0.00 0.00 *1.7 0 0 - C2H3 + O = CO + CH3 3.00E13 0.00 0.00 *1.5 0 0 - H2CCCH + O = C2H2 + CO + H 1.39E14 0.00 0.00 *2.0 0 0 - O + HCO = CO + OH 3.01E13 0.00 0.00 *1.3 0 0 - O + HCCO = H + CO + CO 9.64E13 0.00 0.00 *1.3 0 0 - OH + HCO = H2O + CO 1.02E14 0.00 0.00 *1.3 0 0 - OH + HCCO = HCO + HCO 1.00E13 0.00 0.00 *2.0 0 0 - OH + HCCO = CH2O + CO 1.00E13 0.00 0.00 *2.0 0 0 - HCO + HCO = CH2O + CO 3.01E13 0.00 0.00 *1.3 0 0 - HCCO + HCCO = C2H2 + CO + CO 1.00E13 0.00 0.00 *2.0 0 0 -// CH + HCCO = C2H2 + CO 5.00E13 0.00 0.00 *2.0 0 0 - CH2 + O = CO + H + H 7.20E13 0.00 0.00 *1.7 0 0 - CH2 + O = CO + H2 4.80E13 0.00 0.00 *1.7 0 0 - CH2 + HCO = CH3 + CO 1.81E13 0.00 0.00 *1.5 0 0 - CH2 + HCCO = C2H3 + CO 3.00E13 0.00 0.00 *2.0 0 0 - -// part with CO2 -// O2 + C2H = CO2 + CH 9.05E12 0.00 0.00 *1.5 0 0 - O + HCO = CO2 + H 3.01E13 0.00 0.00 *1.3 0 0 - -// part with CH -// CH4 + CH = C2H4 + H 3.01E13 0.00 -1.66 *2.0 0 0 -// C2H2 + CH = C2H + CH2 2.11E14 0.00 -0.51 *2.0 0 0 -// C2H4 + CH = C3H4 + H 1.32E14 0.00 -1.44 *2.0 0 0 -// C2H6 + CH = C2H4 + CH3 1.08E14 0.00 -1.10 *2.0 0 0 -// CH2O + CH = CH2 + HCO 9.64E13 0.00 -2.16 *2.0 0 0 -// H + CH2 = CH + H2 6.02E12 0.00 -7.48 *1.7 0 0 -// CH + CH2 = C2H2 + H 4.00E13 0.00 0.00 *2.0 0 0 -// CH + CH3 = C2H3 + H 3.00E13 0.00 0.00 *2.0 0 0 -// CH + C2H3 = CH2 + C2H2 5.00E13 0.00 0.00 *2.0 0 0 -// CH + OH = HCO + H 3.00E13 0.00 0.00 *2.0 0 0 - -// part with CH2 and CH2(S) - CH2 + CH2 = C2H2 + H2 1.20E13 0.00 3.33 *1.5 0 0 - CH2 + CH2 = C2H2 + H + H 1.08E14 0.00 3.33 *1.5 0 0 - CH2 + CH3 = C2H4 + H 4.22E13 0.00 0.00 *1.4 0 0 - CH2 + C2H3 = C2H2 + CH3 1.81E13 0.00 0.00 *1.5 0 0 - CH2 + OH = CH2O + H 1.81E13 0.00 0.00 *1.5 0 0 - CH2 + HCCO = C2H + CH2O 1.00E13 0.00 8.37 *2.0 0 0 - CH4 + CH2 = CH3 + CH3 4.30E12 0.00 42.00 *2.0 0 0 - CH4 + CH2(S) = CH3 + CH3 7.00E13 0.00 0.00 *2.0 0 0 - C2H2 + CH2 = C3H4 1.20E13 0.00 27.69 *1.3 0 0 - C2H2 + CH2(S) = H2CCCH + H 1.75E14 0.00 0.00 *1.7 0 0 - H + CH2(S) = CH2 + H 2.00E14 0.00 0.00 *2.0 0 0 - H2 + CH2(S) = CH3 + H 7.23E13 0.00 0.00 *1.3 0 0 - C2H4 + CH2(S) = C3H6 9.64E13 0.00 0.00 *1.5 0 0 - C2H6 + CH2(S) = CH3 + C2H5 2.40E14 0.00 0.00 *2.0 0 0 -// CH3 + OH = CH2(S) + H2O 7.23E13 0.00 11.64 *1.5 0 0 - -// others - C2H2 + C2H2 = H2CCCCH+ H 2.00E09 0.00 242.00 *1.5 0 0 -// C2H2 + C2H = C4H2 + H 9.03E13 0.00 0.00 *1.5 0 0 - C2H4 + O = H + CH2HCO 4.74E06 1.88 0.75 *1.3 0 0 - C2H4 + O = CH3 + HCO 8.13E06 1.88 0.75 *1.3 0 0 - C2H4 + O = CH2CO + H2 6.80E05 1.88 0.75 *1.3 0 0 - C4H2 + OH = C3H2 + HCO 6.68E12 0.00 -1.71 *1.5 0 0 - O2 + H + H2O = HO2 + H2O 6.89E15 0.0 -8.73 *1.5 0 0 -// O2 + H = OH + O 9.756E13 0.00 62.11 *1.3 0 0 - O2 + CH3 = CH2O + OH 3.31E11 0.00 37.42 *1.5 0 0 - O2 + C2H = HCCO + O 9.05E12 0.00 0.00 *1.5 0 0 - O2 + C3H2 = HCO + HCCO 1.00E13 0.00 0.00 *2.0 0 0 - O2 + H2CCCH = CH2CO + HCO 3.01E10 0.00 12.00 *2.0 0 0 - H2O2 + H = OH + H2O 2.41E13 0.00 16.59 *1.3 0 0 - CH3 + CH3 = C2H5 + H 3.01E13 0.00 56.54 *1.6 0 0 - H + HO2 = OH + OH 1.69E14 0.00 3.66 *1.3 0 0 - H + HO2 = H2O + O 3.01E13 0.00 7.20 *1.3 0 0 - H + CH2OH = CH3 + OH 1.02E13 0.00 0.00 *1.3 0 0 - CH3 + O = CH2O + H 8.43E13 0.00 0.00 *1.2 0 0 - CH3 + HO2 = CH3O + OH 1.80E13 0.00 0.00 *1.7 0 0 - C2H + OH = HCCO + H 2.00E13 0.00 0.00 *2.0 0 0 - C2H5 + O = CH2O + CH3 6.62E13 0.00 0.00 *1.5 0 0 - O2 + CH3 = CH3O + O 4.40E13 0.00 131.37 *1.5 0 0 - OH + OH = O + H2O 1.51E09 1.14 0.42 *1.2 0 0 - -// new adding from version 2 to version 3 - H2 + O = OH + H 5.12E04 2.67 26.27 *1.2 0 0 - H2O + H = H2 + OH 4.52E08 1.6 77.08 *1.2 0 0 - CH4 + O = CH3 + OH 7.23E08 1.56 35.5 *1.2 0 0 - CH4 + OH = CH3 + H2O 1.57E07 1.83 11.64 *1.15 0 0 - C2H2 + OH = C2H + H2O 6.00E13 0.00 54.04 *2.0 0 0 - C2H4 + H = C2H3 + H2 5.42E14 0.00 62.36 *1.5 0 0 - C2H4 + OH = C2H3 + H2O 2.05E13 0.00 24.86 *1.5 0 0 - C2H6 + H = C2H5 + H2 1.45E09 1.5 31.01 *1.3 0 0 - C2H6 + CH3 = C2H5 + CH4 1.51E-7 6.0 25.30 *1.2 0 0 - C2H6 + O = C2H5 + OH 1.00E09 1.5 24.28 *1.15 0 0 - C2H6 + OH = C2H5 + H2O 7.23E06 2.00 3.62 *1.1 0 0 - C2H6 + HO2 = H2O2 + C2H5 1.32E13 0.00 85.63 *1.3 0 0 - O2 + CH2O = HCO + HO2 6.02E13 0.00 170.11 *1.5 0 0 - O2 + CH3O = CH2O + HO2 2.17E10 0.00 7.32 *1.3 0 0 - H2O2 + H = HO2 + H2 1.69E12 0.00 15.71 *1.3 0 0 - H2O2 + O = OH + HO2 6.62E11 0.00 16.63 *1.3 0 0 - H2O2 + OH = H2O + HO2 7.83E12 0.00 5.57 *1.5 0 0 - CH2O + H = HCO + H2 1.26E08 1.62 9.06 *1.3 0 0 - CH2O + CH3 = CH4 + HCO 4.09E12 0.00 36.95 *1.2 0 0 - CH2O + O = HCO + OH 4.16E11 0.57 11.56 *1.3 0 0 - CH2O + OH = HCO + H2O 3.43E09 1.18 -1.87 *1.5 0 0 - H + HO2 = H2 + O2 4.28E13 0.00 5.90 *1.3 0 0 - H + CH3O = CH2O + H2 1.81E13 0.00 0.00 *1.5 0 0 - O + HO2 = O2 + OH 3.19E13 0.00 0.00 *1.5 0 0 - OH + HO2 = H2O + O2 2.89E13 0.00 -2.08 *1.5 0 0 - -// n-butane + HO2, JS, 12/10/2003, from NIST -// use C4H10 + HO2 in Pitz et al, Combustion and Flame, 63: 113-133(1986) - C4H10 + HO2 = C4H9_1 + H2O2 1.12E13 0 81.1 *2.0 0 0 - C4H10 + HO2 = C4H9_2 + H2O2 6.76E12 0 71.1 *2.0 0 0 - -// C4H10 + HO2 = C4H9_1 + H2O2 4.76E4 2.55 69.01 *2.0 0 0 -// C4H10 + HO2 = C4H9_2 + H2O2 9.63E3 2.6 58.20 *2.0 0 0 - - C4H10 + OH = C4H9_1 + H2O 3.31E7 1.8 3.99 *2.0 0 0 - C4H10 + OH = C4H9_2 + H2O 5.36E6 2.0 -2.49 *2.0 0 0 - -// CH2O + HO2 = HCO + H2O2 4.11E4 2.5 42.68 *2.0 0 0 - -// JS, from Kojima, S., Combustion and Flame, 99:87-136 -// C4H9O = CH3CHO + C2H5 2.51E14 0 61.1 *3.16 0 0 - -// HO2 disprop, from NIST -// use H2O2 + O2 in Pitz et al, Combustion and Flame, 63: 113-133(1986) - HO2 + HO2 = H2O2 + O2 1.0E13 0 4.18 *2.0 0 0 - -// From NIST - O2 + C2H3 = HCO + CH2O 4.56E16 -1.39 4.22 *3.16 0 0 - -//gmagoon 3/16/11: replacement rates: - - C4H2 + O = C3H2 + CO 2.7E13 0.00 7.19648 *2.0 0 0 -//Sandeep - -// H + HCCO = CH2(S) + CO 7.52173E15 -0.170761 6.60917192 *1.4 0 0 -//PDep fit at 1 atm, cf. Chebyshev evaluation and fitting for ketenyl.nb and ketene and keteneRL libraries used to get the Chebyshevs used in fitting - - C2H2 + C2H = C4H2 + H 2.37156E29 -6.78459 17.59932656 *1.5 0 0 -//Sandeep - -O2 + H = OH + O 1.04e+14 0.00 63.956624 *1.5 0 0 -// values from Hong Proci 33, 309-316 (via http://dx.doi.org/10.1016/j.combustflame.2010.10.002) to replace the above; the k here is about 10% lower around 1500 K diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version5/reactions_comments.txt b/output/RMG_database/kinetics_libraries/combustion_core/version5/reactions_comments.txt deleted file mode 100644 index dd70ff2adb..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version5/reactions_comments.txt +++ /dev/null @@ -1,427 +0,0 @@ -// part with CO - C2H2 + O = CH2 + CO 2.17E06 2.1 6.57 - C2H2 + O = HCCO + H 5.06E06 2.1 6.57 -! A/A overall: 0.2 295-2500 [94BAU/COB] -! k2/k=0.7+-0.2 -! -! - C4H2 + O = C3H2 + CO 7.89E12 0.00 5.64 -! D 1.0 210- 423 [86MIT/NAV] -! - O2 + CO = CO2 + O 1.26E13 0.00 196.90 -! F 0.7 1000-1400 [91KOI] -! - O2 + CH = CO + OH 1.66E13 0.00 0.00 - O2 + CH = CO2 + H 1.66E13 0.00 0.00 -! O2+CH=>(CO+OH)(CO2+H)(HCO+O)(CO+H+O) -! k(overall)= 3.31E13 0.00 0.00 B/U 0.5 300-2000 [94BAU/COB] -! - O2 + CH2 = CO2 + H2 5.43E12 0.00 6.24 - O2 + CH2 = CO2 + H + H 5.43E12 0.00 6.24 - O2 + CH2 = CO + OH + H 8.15E12 0.00 6.24 - O2 + CH2 = CO + H2O 1.48E12 0.00 6.24 - O2 + CH2 = CH2O + O 4.20E12 0.00 6.24 -! O2+CH2=>(CO2+H2)(CO2+H+H)(CO+OH+H)(CO+H2O)(CH2O+O) -! k(overall)= 2.47E13 0.00 6.24 A 0.5 300-1000 [94BAU/COB] -! [94ALV/MOO] have measured the branching ratios at 298K: -! k(1+2)/k= 0.40+0.09-0.07; k(3+4)/k=0.34+-0.06; -! k(3)/k=0.30+-0.05; k(5)/k=0.16+-0.04 (The sum is 0.9) -! Based on the above numbers, the following branching ratios are used here: -! k(1)/k=0.22; k(2)/k=0.22; k(3)/k=0.33; k(4)/k=0.06; k(5)/k=0.17 -! - O2 + CH2(S) = CO + OH + H 3.13E13 0.00 0.00 -! O2+CH2(S)=>(CO+H+OH);(CO2+H2);(CO+H2O);(CH2+O2) -! k(overall)= 3.13E13 0.00 0.00 A/U 0.5 300-1000 [94BAU/COB] -! - O2 + HCO = HO2 + CO 3.01E12 0.00 0.00 -! O2+HCO=>(CO+HO2);(OH+CO2);(HCO3) -! k(overall)= 3.01E12 0.00 0.00 A/U 0.3 300-2500 [94BAU/COB] -! According to the measurements of Dobe et al. (unpublished) -! (HO2+CO) is the main channel until 600K -! - O2 + HCCO = CO + CO + OH 1.63E12 0.00 3.58 -! O2+HCCO=>(2CO+OH);(C2O+HO2) -! k(overall)= 1.63E12 0.00 3.58 B/U 0.7 300-550 [94BAU/COB] -! - CO + OH = CO2 + H 1.66E07 1.30 -3.20 -! A 0.5 250-2000 [76BAU/DRY] increased by 10% -! -! The [94BAU/COB] suggests 6.32E06 1.5 -2.08 A 0.5 300-2000 -! but [94MCL/SMI] claims that the [94BAU/COB] evaluation is based on wrong -! flame velocity measurements and the data of [76BAU/DRY] give better -! description of accurate flame velocity measurements and are in better -! agreement to direct kinetic measurements. -! [76BAU/DRY] suggests: -! k(cm**3 mol**-1 s**-1)= 10**7.18 T**1.3 exp(+385/T) -! valid for 250-2000K, unc= +-20%(at 300K) - +-50%(above 1000K) -! Note, that this expression was misprinted in [76BAU/DRY] -! the [76BAU/DRY] value: -! CO + OH = CO2 + H 1.51E07 1.30 -3.20 -! -! (10/7/97) the [76BAU/DRY] was increased by 10% to describe CO+OH flame velocities. -! -! - CO + HO2 = CO2 + OH 1.51E14 0.00 99.02 -! B 0.3 300-2500 [86TSA/HAM] -! - CO + CH = HCCO 2.77E11 0.00 -7.15 -! CO+CH=>(HCCO)(H+C2O) -! B/U 1.0 300-1000 [94BAU/COB] -! - CO2 + CH = HCO + CO 3.43E12 0.00 2.87 -! CO2+CH=>(HCO+CO)(C2O+OH) -! B/U 1.0 300-1000 [94BAU/COB] -! - CO2 + CH2 = CH2O + CO 2.35E10 0.00 0.00 -! B 0.2 300-2500 [86TSA/HAM] -! - - CH2CO + H = CH3 + CO 1.81E13 0.00 14.13 -! CH2CO+H=>(CH3+CO)(CH2CHO)(H2+HCCO) -! k(overall)= 1.81E13 0.00 14.13 B/U 1.0 200-2000 [94BAU/COB] -! k2/k is considered small => channel#2 is neglected -! channel#3 may be important at high temperature -! - CH2CO + O = CH2 + CO2 1.33E12 0.00 5.65 - CH2CO + O = CH2O + CO 4.58E11 0.00 5.65 - CH2CO + O = HCO + H + CO 2.52E11 0.00 5.65 - CH2CO + O = HCO + HCO 2.52E11 0.00 5.65 -! CH2CO+O=>(CH2+CO2)(CH2O+CO)(HCO+H+CO)(HCO+HCO) -! k(overall)= 2.29E12 0.00 5.65 B/U 0.3 230-500 [94BAU/COB] -! Information about branching ratios: -! [83WAS/HAT] k(2)/k = 20%+-10% -! [92OEH] k(1)/k = 58%+-10% -! (0.5 k(3)+k(4))/k = 21%+-5% -! We use here k(1)/k= 0.58, k(2)/k= 0.20, k(3)/k= 0.11, and k(4)/k= 0.11 -! - CH2CO + OH = CH3 + CO2 2.52E12 0.00 0.00 - CH2CO + OH = CH2OH + CO 4.68E12 0.00 0.00 -! CH2CO+OH=>(CH3+CO2)(CH2OH+CO)(CH3O+CO)(HCO+CH2O)(HCCO+H2O)(CH2O+H+CO) -! k(overall)= 7.20E12 0.00 0.00 D/U 296 [92OEH/TEM] -! According to the measurements of [94GRU/NOL] -! k(2)/k=0.60+-0.10; k(4)/k<0.02; k(5)/k<0.01; estimated: k(1)/k= 0.25 -! We use here k(1)/k= 0.35 and k(2)/k= 0.65 -! - H + HCO = CO + H2 9.03E13 0.00 0.00 -! A 0.3 300-2500 [94BAU/COB] -! - H + HCCO = CH2 + CO 1.51E14 0.00 0.00 -! B 0.4 300-2500 [94BAU/COB] -! - CH + O = CO + H 3.97E13 0.00 0.00 -! A 0.5 300-2000 [94BAU/COB] -! - CH3 + HCO = CH4 + CO 1.20E14 0.00 0.00 -! B 0.3 300-2500 [86TSA/HAM] -! - C2H + O = CH + CO 1.00E13 0.00 0.00 -! B 1.0 300-2500 [94BAU/COB] -! - C2H + OH = CH2 + CO 1.81E13 0.00 0.00 -! U/U 0.7 300-2500 [86TSA/HAM] -! -! C2H+OH=>CH2+CO 1.81E13 0.00 0.00 B* 0.7 300-2500 - C2H3 + O = CO + CH3 3.00E13 0.00 0.00 -! C2H3+O=>(CO+CH3)(OH+C2H2)(HCO+CH2) -! B/U 0.5 300-2000 [94BAU/COB] -! probably channel#1 is dominant -! - H2CCCH + O = C2H2 + CO + H 1.39E14 0.00 0.00 -! D 1.0 295- 750 [91SLA/GUT] -! [91SLA/GUT] have suggested (C3H2O+H) as products, -! but a fast decomposition of C3H2O to C2H2 and CO is assumed. -! - O + HCO = CO + OH 3.01E13 0.00 0.00 -! A 0.3 300-2500 [94BAU/COB] -! - O + HCCO = H + CO + CO 9.64E13 0.00 0.00 -! A 0.3 300-2500 [94BAU/COB] -! - OH + HCO = H2O + CO 1.02E14 0.00 0.00 -! B 0.3 300-2500 [94BAU/COB] -! - OH + HCCO = HCO + HCO 1.00E13 0.00 0.00 - OH + HCCO = CH2O + CO 1.00E13 0.00 0.00 -! U/U 1.0 -! - HCO + HCO = CH2O + CO 3.01E13 0.00 0.00 -! B 0.3 300 [94BAU/COB] -! - HCCO + HCCO = C2H2 + CO + CO 1.00E13 0.00 0.00 -! U/U 1.0 [89MIL/BOW] -! - CH + HCCO = C2H2 + CO 5.00E13 0.00 0.00 -! CH+HCCO=>(C2H2+CO)(C2H+HCO) -! U/U 1.0 [89MIL/BOW] -! - CH2 + O = CO + H + H 7.20E13 0.00 0.00 - CH2 + O = CO + H2 4.80E13 0.00 0.00 -! CH2+O=>(CO+2H);(CO+H2) 1.20E14 0.00 0.00 -! A/B 0.7 300-2500 [94BAU/COB] -! k1/k=0.6+-0.3 -! - CH2 + HCO = CH3 + CO 1.81E13 0.00 0.00 -! U 0.5 300-2500 [86TSA/HAM] -! - CH2 + HCCO = C2H3 + CO 3.00E13 0.00 0.00 -! U/U 1.0 [86GLA/MIL] -! -// part with CO2 - O2 + C2H = CO2 + CH 9.05E12 0.00 0.00 -! O2+C2H=>(HCCO+O)(CO2+CH);(2CO+H);(C2HO+O);(CO+HCO) -! k(overall)= 1.81E13 0.00 0.00 B/U 0.5 300 [94BAU/COB] -! According to the measurements of Seakins et al (unpublished) -! (HCCO+O)(CO2+CH) are the two most likely channels -! -! O2 + C2H3 = CH2O + HCO 5.42E12 0.00 0.00 - O + HCO = CO2 + H 3.01E13 0.00 0.00 -! A 0.3 300-2500 [94BAU/COB] -! - -// part with CH - CH4 + CH = C2H4 + H 3.01E13 0.00 -1.66 -! -! B 1.0 200-700 [94BAU/COB] -! - C2H2 + CH = C2H + CH2 2.11E14 0.00 -0.51 -! C2H2+CH=>(C2H+CH2)(C3H2+H) -! B/U 1.0 200- 700 [94BAU/COB] -! - C2H4 + CH = C3H4 + H 1.32E14 0.00 -1.44 -! C2H4+CH=>(C3H4+H)(CH2+C2H3) -! B/U 1.0 200- 700 [94BAU/COB] -! - C2H6 + CH = C2H4 + CH3 1.08E14 0.00 -1.10 -! C2H6+CH=>(C2H4+CH3)(C3H6+H) -! B/U 1.0 200- 700 [94BAU/COB] -! - CH2O + CH = CH2 + HCO 9.64E13 0.00 -2.16 -! CH2O+CH=>(CH2+HCO)(CH2CO+H)(CH2CHO) -! k(overall)= 9.64E13 0.00 -2.16 B/U 1.0 300-700 [94BAU/COB] -! - H + CH2 = CH + H2 6.02E12 0.00 -7.48 -! B 0.7 300-3000 [94BAU/COB] -! - CH + CH2 = C2H2 + H 4.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - CH + CH3 = C2H3 + H 3.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - CH + C2H3 = CH2 + C2H2 5.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - CH + OH = HCO + H 3.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - -// part with CH2 and CH2(S) - CH2 + CH2 = C2H2 + H2 1.20E13 0.00 3.33 - CH2 + CH2 = C2H2 + H + H 1.08E14 0.00 3.33 -! CH2+CH2=>(C2H2+H2);(C2H2+H+H) -! k(overall)= 1.20E14 0.00 3.33 B/B 0.5 300-3000 [94BAU/COB] -! k2/k=0.9+-0.1 -! - CH2 + CH3 = C2H4 + H 4.22E13 0.00 0.00 -! B 0.4 300-3000 [94BAU/COB] -! - CH2 + C2H3 = C2H2 + CH3 1.81E13 0.00 0.00 -! S 0.5 300-2500 [86TSA/HAM] -! - CH2 + OH = CH2O + H 1.81E13 0.00 0.00 -! U 0.5 300-2500 [86TSA/HAM] -! - CH2 + HCCO = C2H + CH2O 1.00E13 0.00 8.37 -! U/U 1.0 [86GLA/MIL] -! - CH4 + CH2 = CH3 + CH3 4.30E12 0.00 42.00 -! D 1.0 296-707 [85BOH/DOB] -! - CH4 + CH2(S) = CH3 + CH3 7.00E13 0.00 0.00 -! D 1.0 298 [80ASH/FUL], [83LAN/PET] -! - C2H2 + CH2 = C3H4 1.20E13 0.00 27.69 -! B 0.3 300-1000 [94BAU/COB] -! - C2H2 + CH2(S) = H2CCCH + H 1.75E14 0.00 0.00 -! C2H2+CH2(S)=>(CH2CCH2);(CH3CCH);(H2CCCH+H) -! B/U 0.7 300-1000 [94BAU/COB] -! - H + CH2(S) = CH2 + H 2.00E14 0.00 0.00 -! H+CH2(S)=>(CH2+H)(CH+H2) -! U/U 1.0 [89MIL/BOW] -! - H2 + CH2(S) = CH3 + H 7.23E13 0.00 0.00 -! A 0.3 300 - 1000 [94BAU/COB] -! - C2H4 + CH2(S) = C3H6 9.64E13 0.00 0.00 -! B 0.5 300-1000 [94BAU/COB] -! -! - C2H6 + CH2(S) = CH3 + C2H5 2.40E14 0.00 0.00 -! D 1.0 298 [83LAN/PET] -! - CH3 + OH = CH2(S) + H2O 7.23E13 0.00 11.64 -! B 0.5 300-1000 [94BAU/COB] -! corrected factor of ten error on cec summary page -! -! - -// others - C2H2 + C2H2 = H2CCCCH+ H 2.00E09 0.00 242.00 -! S 1.0 700-1300 [88DUR/AMO] -! - C2H2 + C2H = C4H2 + H 9.03E13 0.00 0.00 -! B 0.5 300-2700 [94BAU/COB] -! - C2H4 + O = H + CH2HCO 4.74E06 1.88 0.75 - C2H4 + O = CH3 + HCO 8.13E06 1.88 0.75 - C2H4 + O = CH2CO + H2 6.80E05 1.88 0.75 -! C2H4+O=>(H+CH2CHO);(HCO+CH3);(CH2O+CH2);CH2CO+H2) -! A/B overall: 0.3 300-2000 [94BAU/COB] -! k1/k= 0.35+-0.05 k2/k=0.6+-0.10 k3/k=0 k4/k=0.05+-0.10 -! - C4H2 + OH = C3H2 + HCO 6.68E12 0.00 -1.71 -! C4H2+OH=>(C3H2+HCO)(C4H+H2O) -! D/U 0.3 296- 688 [84PER] -! - O2 + H + H2O = HO2 + H2O 6.89E15 0.0 -8.73 -! D 1.0 298- 639 [89HSU/AND] -! - O2 + H = OH + O 9.756E13 0.00 62.11 -! A 0.3 300-5000 [94BAU/COB] -! - O2 + CH3 = CH2O + OH 3.31E11 0.00 37.42 -! B 0.5 1000-2500 [94BAU/COB] -! -! - O2 + C2H = HCCO + O 9.05E12 0.00 0.00 - O2 + C3H2 = HCO + HCCO 1.00E13 0.00 0.00 -! U 1.0 [89MIL/BOW] -! - O2 + H2CCCH = CH2CO + HCO 3.01E10 0.00 12.00 -! D 1.0 500- 900 [88SLA/GUT] -! - H2O2 + H = OH + H2O 1.02E13 0.00 14.97 -! A 0.3 300-1000 [94BAU/COB] -! - CH3 + CH3 = C2H5 + H 3.01E13 0.00 56.54 -! B 0.6 1300-2500 [94BAU/COB] -! - H + HO2 = OH + OH 1.69E14 0.00 3.66 -! A 0.3 300-1000 [94BAU/COB] -! - H + HO2 = H2O + O 3.01E13 0.00 7.20 -! A 0.3 300-1000 [94BAU/COB] -! - H + CH2OH = CH3 + OH 1.02E13 0.00 0.00 - CH3 + O = CH2O + H 8.43E13 0.00 0.00 -! A 0.2 300-2500 [94BAU/COB] -! -! - CH3 + HO2 = CH3O + OH 1.80E13 0.00 0.00 -! B 0.7 300-2500 [94BAU/COB] -! - C2H + OH = HCCO + H 2.00E13 0.00 0.00 -! U/U 1.0 [89MIL/BOW] -! - C2H5 + O = CH2O + CH3 6.62E13 0.00 0.00 -! C2H5+O=>(CH3CHO+H);(CH2O+CH3) -! k(overall)= 6.62E13 0.00 0.00 B/U 0.5 300-2500 [94BAU/COB] -! k2/k= 0.17+-0.2 at 300K -! This reaction produces mainly CH3CHO, at least near room temperature. -! However, we do not want to include CH3CHO in this mechanism. -! The overall rate is used for a good account of the removal of radicals -! C2H5 and O -! - O2 + CH3 = CH3O + O 4.40E13 0.00 131.37 -! B 0.5 300-2500 [94BAU/COB] -! reduced x3 from cec recommendation, improved ignition delay -! calculations in methane/oxygen/argon, (no effect in flame speed -! calculations) -! - OH + OH = O + H2O 1.51E09 1.14 0.42 -! A 0.2 250-2500 [94BAU/COB] -! - -// new adding from version 2 to version 3 - H2 + O = OH + H 5.12E04 2.67 26.27 -! A 0.2 300 - 2500 [94BAU/COB] -! - H2O + H = H2 + OH 4.52E08 1.6 77.08 -! A 0.2 300-2500 [94BAU/COB] -! - CH4 + O = CH3 + OH 7.23E08 1.56 35.5 -! A 0.2 300-2500 [94BAU/COB] -! - CH4 + OH = CH3 + H2O 1.57E07 1.83 11.64 -! A 0.15 250-2500 [94BAU/COB] -! - C2H2 + OH = C2H + H2O 6.00E13 0.00 54.04 -! C2H2+OH=>(H2O+C2H);(H+CH2CO);(C2H2OH) -! k(1+2)= 6.02E13 0.00 54.04 B/U 1.0 1000-2000 [94BAU/COB] -! channel#3 is important at low temperature and high pressure -! - C2H4 + H = C2H3 + H2 5.42E14 0.00 62.36 -! A 0.5 700-2000 [94BAU/COB] -! - C2H4 + OH = C2H3 + H2O 2.05E13 0.00 24.86 -! B 0.5 650-1500 [94BAU/COB] -! - C2H6 + H = C2H5 + H2 1.45E09 1.5 31.01 -! A 0.3 300-2000 [94BAU/COB] -! - C2H6 + CH3 = C2H5 + CH4 1.51E-7 6.0 25.30 -! A 0.2 300-1500 [94BAU/COB] -! - C2H6 + O = C2H5 + OH 1.00E09 1.5 24.28 -! A 0.15 300-1200 [94BAU/COB] -! - C2H6 + OH = C2H5 + H2O 7.23E06 2.00 3.62 -! A 0.1 250-2000 [94BAU/COB] -! - C2H6 + HO2 = H2O2 + C2H5 1.32E13 0.00 85.63 -! B 0.3 500-1000 [94BAU/COB] -! - O2 + CH2O = HCO + HO2 6.02E13 0.00 170.11 -! B 0.5 700-1000 [94BAU/COB] -! - O2 + CH3O = CH2O + HO2 2.17E10 0.00 7.32 -! A 0.3 300-1000 [94BAU/COB] -! - H2O2 + H = HO2 + H2 1.69E12 0.00 15.71 -! A 0.3 300-1000 [94BAU/COB] -! - H2O2 + O = OH + HO2 6.62E11 0.00 16.63 -! A 0.3 300- 500 [94BAU/COB] -! - H2O2 + OH = H2O + HO2 7.83E12 0.00 5.57 -! A 0.5 300-1000 [94BAU/COB] -! - CH2O + H = HCO + H2 1.26E08 1.62 9.06 -! A 0.3 300-1700 [94BAU/COB] -! - CH2O + CH3 = CH4 + HCO 7.83E-08 6.1 8.23 -! A 0.2 300-2000 [94BAU/COB] -! - CH2O + O = HCO + OH 4.16E11 0.57 11.56 -! A 0.3 250-2200 [94BAU/COB] -! - CH2O + OH = HCO + H2O 3.43E09 1.18 -1.87 -! A 0.5 300-3000 [94BAU/COB] -! - H + HO2 = H2 + O2 4.28E13 0.00 5.90 -! A 0.3 300-1000 [94BAU/COB] -! - H + CH3O = CH2O + H2 1.81E13 0.00 0.00 -! A 0.5 300-1000 [94BAU/COB] -! -! -! -! - O + HO2 = O2 + OH 3.19E13 0.00 0.00 -! A 0.5 300-1000 [94BAU/COB] -! - OH + HO2 = H2O + O2 2.89E13 0.00 -2.08 -! A 0.5 300-2000 [94BAU/COB] -! diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version5/readMe.txt b/output/RMG_database/kinetics_libraries/combustion_core/version5/readMe.txt deleted file mode 100644 index 381310cc37..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version5/readMe.txt +++ /dev/null @@ -1,3 +0,0 @@ -from version 3 to version 4, we have now pdep calculation embedded in RMG, so -(1) get rid of all third body reaction list -(2) get rid of p dep reactions added in version 2 diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version5/species.txt b/output/RMG_database/kinetics_libraries/combustion_core/version5/species.txt deleted file mode 100644 index fc660e2059..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version5/species.txt +++ /dev/null @@ -1,198 +0,0 @@ -// small molecule oxidation library, species file, version 2, JS, August 6, 2003 -// originally from Leeds methane oxidation mechanism v1.5 -// http://www.chem.leeds.ac.uk/Combustion/Combustion.html -// Note: every species except C in Leeds mechanism are included in our small molecule oxidation library -// some quesion remained: is C3H2 singlet or triplet? I made it triplet, need to be clarified. - - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -CH4 -1 C 0 - -C2H2 -1 C 0 {2,T} -2 C 0 {1,T} - -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - -C2H6 -1 C 0 {2,S} -2 C 0 {1,S} - -C3H4 -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} - -C3H6 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} - -C4H2 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - -H2O -1 O 0 - -H2O2 -1 O 0 {2,S} -2 O 0 {1,S} - -CO -1 C 2T {2,D} -2 O 0 {1,D} - -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -CH2O -1 C 0 {2,D} -2 O 0 {1,D} - -CH2CO -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -H -1 H 1 - -//CH -//1 C 3 - -CH2 -1 C 2T - -CH2(S) -1 C 2S - -CH3 -1 C 1 - -C2H -1 C 1 {2,T} -2 C 0 {1,T} - -C2H3 -1 C 1 {2,D} -2 C 0 {1,D} - -C2H5 -1 C 1 {2,S} -2 C 0 {1,S} - -C3H2 -1 C 2S {2,S} {3,S} -2 C 0 {1,S} {3,D} -3 C 0 {1,S} {2,D} - -H2CCCH -1 C 1 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} - -H2CCCCH -1 C 0 {2,D} -2 C 1 {1,D} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -O -1 O 2T - -OH -1 O 1 - -HO2 -1 O 1 {2,S} -2 O 0 {1,S} - -HCO -1 C 1 {2,D} -2 O 0 {1,D} - -CH3O -1 C 0 {2,S} -2 O 1 {1,S} - -CH2OH -1 C 1 {2,S} -2 O 0 {1,S} - -HCCO -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -CH2HCO -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -C3H5 -1 C 0 {2,D} {3,S} -2 C 0 {1,D} -3 C 1 {1,S} - -C4H10 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -CH3CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -C4H9_1 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} - -C4H9_2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 1 {2,S} {4,S} -4 C 0 {3,S} - -C4H9O2_1 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 1 {5,S} - -C4H9O2_2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {5,S} -4 C 0 {3,S} -5 O 0 {3,S} {6,S} -6 O 1 {5,S} - -C3H5O2 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} - - diff --git a/output/RMG_database/kinetics_libraries/combustion_core/version5/species_old.txt b/output/RMG_database/kinetics_libraries/combustion_core/version5/species_old.txt deleted file mode 100644 index 71cae141b2..0000000000 --- a/output/RMG_database/kinetics_libraries/combustion_core/version5/species_old.txt +++ /dev/null @@ -1,272 +0,0 @@ -// small molecule oxidation library, species file, version 2, JS, August 6, 2003 -// originally from Leeds methane oxidation mechanism v1.5 -// http://www.chem.leeds.ac.uk/Combustion/Combustion.html -// Note: every species except C in Leeds mechanism are included in our small molecule oxidation library -// some quesion remained: is C3H2 singlet or triplet? I made it triplet, need to be clarified. - - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -CH4 -1 C 0 - -C2H2 -1 C 0 {2,T} -2 C 0 {1,T} - -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - -C2H6 -1 C 0 {2,S} -2 C 0 {1,S} - -C3H4 -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} - -C3H6 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} - -C4H2 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - -H2O -1 O 0 - -H2O2 -1 O 0 {2,S} -2 O 0 {1,S} - -CO -1 C 2T {2,D} -2 O 0 {1,D} - -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -CH2O -1 C 0 {2,D} -2 O 0 {1,D} - -CH2CO -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -H -1 H 1 - -CH -1 C 3 - -CH2 -1 C 2T - -CH2(S) -1 C 2S - -CH3 -1 C 1 - -C2H -1 C 1 {2,T} -2 C 0 {1,T} - -C2H3 -1 C 1 {2,D} -2 C 0 {1,D} - -C2H5 -1 C 1 {2,S} -2 C 0 {1,S} - -C3H2 -1 C 2S {2,S} {3,S} -2 C 0 {1,S} {3,D} -3 C 0 {1,S} {2,D} - -H2CCCH -1 C 1 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} - -H2CCCCH -1 C 0 {2,D} -2 C 1 {1,D} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -O -1 O 2T - -OH -1 O 1 - -HO2 -1 O 1 {2,S} -2 O 0 {1,S} - -HCO -1 C 1 {2,D} -2 O 0 {1,D} - -CH3O -1 C 0 {2,S} -2 O 1 {1,S} - -CH2OH -1 C 1 {2,S} -2 O 0 {1,S} - -HCCO -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -CH2HCO -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -// P-DEPENDENT SPECIES -CH3O2_1 -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 1 {2,S} - -// P-DEPENDENT SPECIES -CH2OOH -1 C 1 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} - -C3H5 -1 C 0 {2,D} {3,S} -2 C 0 {1,D} -3 C 1 {1,S} - -// P-DEPENDENT SPECIES -C3H5O2 -1 C 0 {2,D} {3,S} -2 C 0 {1,D} -3 C 0 {1,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} - -// P-DEPENDENT SPECIES -C3H4OOH -1 C 1 {2,D} {3,S} -2 C 0 {1,D} -3 C 0 {1,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - -// P-DEPENDENT SPECIES -C2H5O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 1 {3,S} - -// P-DEPENDENT SPECIES -C2H4OOH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - -C3H7 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} - -// P-DEPENDENT SPECIES -C3H7O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} -5 O 1 {4,S} - -// P-DEPENDENT SPECIES -C3H6OOH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} -5 O 0 {4,S} - -C2H3O3 -1 C 0 {2,S} {3,D} -2 C 0 {1,S} {4,S} -3 O 0 {1,D} -4 O 0 {2,S} {5,S} -5 O 1 {4,S} - -CHO3 -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 O 1 {3,S} - -CH3O3_1 -1 C 0 {2,S} {3,S} -2 O 1 {1,S} -3 O 0 {1,S} {4,S} -4 O 0 {3,S} - -CH3O3_2 -1 C 0 {2,S} {3,S} -2 O 0 {1,S} -3 O 0 {1,S} {4,S} -4 O 1 {3,S} - -C4H10 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -C4H9_1 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} - -C4H9_2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 1 {2,S} {4,S} -4 C 0 {3,S} - -C4H9O2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 1 {5,S} - -C4H8OOH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} \ No newline at end of file diff --git a/output/RMG_database/thermo_groups/15_Dictionary.txt b/output/RMG_database/thermo_groups/15_Dictionary.txt deleted file mode 100644 index d7d48e8e59..0000000000 --- a/output/RMG_database/thermo_groups/15_Dictionary.txt +++ /dev/null @@ -1,72 +0,0 @@ -CsOsSs -1 * {Cs,Os,Ss} 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)RR) //S(QT) -1 * Cs 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)RR) //S(QQ) -1 * Cs 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -Os(Cs(CsCsCs)Cs(CsCsR)) //S(QT) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -Os(Cs(CsCsCs)Cs(CsCsCs)) //S(QQ) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -Ss(Cs(CsCsCs)Cs(CsCsR)) //S(QT) -1 * Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -Ss(Cs(CsCsCs)Cs(CsCsCs)) //S(QQ) -1 * Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} diff --git a/output/RMG_database/thermo_groups/15_Library.txt b/output/RMG_database/thermo_groups/15_Library.txt deleted file mode 100644 index b456bce41b..0000000000 --- a/output/RMG_database/thermo_groups/15_Library.txt +++ /dev/null @@ -1,10 +0,0 @@ -//gmagoon 2/9/09: same references as for gauche library -//values used are 1976 values (1.5 kcal/mol per 1,5 interaction in alkanes and 3.5 per 1,5 interaction in ethers) - -0 CsOsSs 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 -1 Cs(Cs(CsCsCs)Cs(CsCsR)RR) 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QT) one 1,5 interaction -2 Cs(Cs(CsCsCs)Cs(CsCsCs)RR) 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QQ) two 1,5 interactions -3 Os(Cs(CsCsCs)Cs(CsCsR)) 3.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QT) one 1,5 interaction -4 Os(Cs(CsCsCs)Cs(CsCsCs)) 7.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QQ) two 1,5 interactions -5 Ss(Cs(CsCsCs)Cs(CsCsR)) 2.6 -5.2 -0.9 -1.1 -1.1 -0.9 -0.6 -0.4 -0.5 0 0 0 //S(QT) one 1,5 interaction -6 Ss(Cs(CsCsCs)Cs(CsCsCs)) 5.7 -1.7 -1.0 -1.0 -0.8 -0.7 -0.6 -0.7 -1.0 0 0 0 //S(QQ) two 1,5 interactions diff --git a/output/RMG_database/thermo_groups/15_Tree.txt b/output/RMG_database/thermo_groups/15_Tree.txt deleted file mode 100644 index 8e31ccb7e5..0000000000 --- a/output/RMG_database/thermo_groups/15_Tree.txt +++ /dev/null @@ -1,7 +0,0 @@ -L0: CsOsSs -L1: Cs(Cs(CsCsCs)Cs(CsCsR)RR) //S(QT) - L2: Cs(Cs(CsCsCs)Cs(CsCsCs)RR) //S(QQ) -L1: Os(Cs(CsCsCs)Cs(CsCsR)) //S(QT) - L2: Os(Cs(CsCsCs)Cs(CsCsCs)) //S(QQ) -L1: Ss(Cs(CsCsCs)Cs(CsCsR)) //S(QT) - L2: Ss(Cs(CsCsCs)Cs(CsCsCs)) //S(QQ) diff --git a/output/RMG_database/thermo_groups/Abraham_Dictionary.txt b/output/RMG_database/thermo_groups/Abraham_Dictionary.txt deleted file mode 100644 index 62cb407b1c..0000000000 --- a/output/RMG_database/thermo_groups/Abraham_Dictionary.txt +++ /dev/null @@ -1,220 +0,0 @@ -/////////////////////////////////////////////////////////////////////////////////////////////////////////// -// Abraham Solute Descriptor dictionary -// Defines groups for determining 5 out of 6 Abraham solute descriptors (all but hydrogen bond acidity) -// Constructed by Amrit Jalan -// May 1, 2009 -// -// Reference: Platts et al J.Chem Inf. Comput. Sci. 1999, 39, 835-845 -/////////////////////////////////////////////////////////////////////////////////////////////////////////// - -R -1 * R 0 - -C // L1 Node -1 * C 0 - -Css -1 * Cs 0 - -Cb -1 * Cb 0 - -O -1 * O 0 - -Oss -1 * Os 0 - -Cbf -1 * Cbf 0 - -Ct -1 * Ct 0 - -Cds -1 * {Cd,CO} 0 - -Od -1 * Od 0 - -CssH3 -1 * Cs 0 {2,S} {3,S} {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -// does not the definition of a fifth group because it can be H or C. Defining R!H would exclude methane. - -CssH2 -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 H 0 {1,S} -3 H 0 {1,S -4 R!H 0 {1,S} -5 R!H 0 {1,S} - -CssH -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 H 0 {1,S} -3 R!H 0 {1,S} -4 R!H 0 {1,S} -5 R!H 0 {1,S} - -Css-noH -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 R!H 0 {1,S} -3 R!H 0 {1,S} -4 R!H 0 {1,S} -5 R!H 0 {1,S} - -OssH -1 * Os 0 {2,S} -2 H 0 {1,S} - -Oss-noncyclic -1 * Os 0 {2,S} {3,S} -2 R!H 0 {1,S} -3 R!H 0 {1,S} - -Oss(CdsOd) -1 * CO 0 {2,S} {3,D} -2 Os 0 {1,S} -3 Od 0 {1,D} - -OssCds(Od)Oss -1 * CO 0 {2,S} {3,S} {4,D} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 Od 0 {1,D} - -Oss*Cds(Od)Oss -1 CO 0 {2,S} {3,S} {4,D} -2 * Os 0 {1,S} -3 Os 0 {1,S} -4 Od 0 {1,D} - -OssCds(Od*)Oss -1 CO 0 {2,S} {3,S} {4,D} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 * Od 0 {1,D} - -OssCds(Od)Oss* -1 CO 0 {2,S} {3,S} {4,D} -2 Os 0 {1,S} -3 * Os 0 {1,S} -4 Od 0 {1,D} - -Cds(Od)OssH -1 * CO 0 {2,S} {4,D} -2 Os 0 {1,S} {3,S} -3 H 0 {2,S} -4 Od 0 {1,D} - -Cds(Od)Cds=CdsCds(Od) -1 * Cd 0 {2,D} {3,S} -2 Cd 0 {1,D} {4,S} -3 CO 0 {1,S} {5,D} -4 CO 0 {2,S} {6,D} -5 Od 0 {3,D} -6 Od 0 {4,D} - -Cds*(Od)Cds=CdsCds(Od) -1 Cd 0 {2,D} {3,S} -2 Cd 0 {1,D} {4,S} -3 * CO 0 {1,S} {5,D} -4 CO 0 {2,S} {6,D} -5 Od 0 {3,D} -6 Od 0 {4,D} - -Cds(Od*)Cds=CdsCds(Od) -1 Cd 0 {2,D} {3,S} -2 Cd 0 {1,D} {4,S} -3 CO 0 {1,S} {5,D} -4 CO 0 {2,S} {6,D} -5 * Od 0 {3,D} -6 Od 0 {4,D} - -Css(Oss*H)-Css(OssH) -1 Cs 0 {2,S} {4,S} -2 * Os 0 {1,S} {3,S} -3 H 0 {2,S} -4 Cs 0 {5,S} {1,S} -5 Os 0 {4,S} {6,S} -6 H 0 {5,S} - -CbCs-OsH -1 * Cs 0 {2,S} {4,S} -2 Os 0 {1,S} {3,S} -3 H 0 {2,S} -4 Cb 0 {1,S} - -CdsH2 -1 * C 0 {2,S} {3,S} {4,D} -2 H 0 {1,S} -3 H 0 {1,S} -4 R!H 0 {1,D} - -CdsH -1 * C 0 {2,S} {3,S} {4,D} -2 H 0 {1,S} -3 R!H 0 {1,S} -4 R!H 0 {1,D} - -Cds-noH -1 * C 0 {2,S} {3,S} {4,D} -2 R!H 0 {1,S} -3 R!H 0 {1,S} -4 R!H 0 {1,D} - -//Cdd -//1 * C 0 {2,D} {3,D} -//2 C 0 {1,D} -//3 C 0 {1,D} - -Cdd -1 * Cdd 0 - -//Added by AJ on March 22, 2011 - -CtH -1 * Ct 0 {2,S} -2 H 0 {1,S} - -OssH_phenolic -1 * Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 Cb 0 {1,S} - -Cb-noH -1 * Cb 0 {2,S} -2 R!H 0 {1,S} - -CssH2(OssH)-Css(OssH) -1 * Cs 0 {2,S} {4,S} {7,S} {8,S} -2 Os 0 {1,S} {3,S} -3 H 0 {2,S} -4 Cs 0 {5,S} {1,S} -5 Os 0 {4,S} {6,S} -6 H 0 {5,S} -7 H 0 {1,S} -8 H 0 {1,S} - -CssH(OssH)-Css(OssH) -1 * Cs 0 {2,S} {4,S} {7,S} {8,S} -2 Os 0 {1,S} {3,S} -3 H 0 {2,S} -4 Cs 0 {5,S} {1,S} -5 Os 0 {4,S} {6,S} -6 H 0 {5,S} -7 H 0 {1,S} -8 C 0 {1,S} - -Css(OssH)-Css(OssH) -1 * Cs 0 {2,S} {4,S} {7,S} {8,S} -2 Os 0 {1,S} {3,S} -3 H 0 {2,S} -4 Cs 0 {5,S} {1,S} -5 Os 0 {4,S} {6,S} -6 H 0 {5,S} -7 C 0 {1,S} -8 C 0 {1,S} \ No newline at end of file diff --git a/output/RMG_database/thermo_groups/Abraham_Library.txt b/output/RMG_database/thermo_groups/Abraham_Library.txt deleted file mode 100644 index d5ede97ded..0000000000 --- a/output/RMG_database/thermo_groups/Abraham_Library.txt +++ /dev/null @@ -1,47 +0,0 @@ -/////////////////////////////////////////////////////////////////////////////////////////////////////////// -// Abraham Solute Descriptor dictionary -// Defines groups for determining 5 out of 6 Abraham solute descriptors (all but hydrogen bond acidity) -// Constructed by Amrit Jalan -// March 30, 2009 -// -// Reference: Platts et al J.Chem Inf. Comput. Sci. 1999, 39, 835-845 -/////////////////////////////////////////////////////////////////////////////////////////////////////////// - - -//# Group S B E L A Platt's Fragment # -// Platts' name: \pi_2^H \Sigma\beta_2^H R^2 \log L^{16} \Sigma\alpha_2^H - -1 CssH3 -0.075 0.007 -0.104 0.321 0 fragment 1 sp3 CH3 -2 CssH2 0 0 0 0.499 0 fragment 2 sp3 >CH2 -3 CssH 0.036 0.011 0.089 0.449 0 fragment -4 Css-noH 0.071 0.037 0.187 0.443 0 fragment -5 OssH 0.247 0.307 0.061 0.672 0.345 fragment -6 Oss-noncyclic 0.185 0.211 0.014 0.360 0 fragment -7 Od 0.370 0.334 -0.041 0.495 0 fragment -8 Oss(CdsOd) -0.124 -0.206 0.067 0.234 0 fragment -//9 OssCds(Od)Oss -0.19 -0.267 0 0 0 fragment -10 Cds(Od)OssH -0.311 -0.308 -0.012 0.255 0.243 fragment -12 Cds(Od)Cds=CdsCds(Od) -0.411 -0.051 0 0 0 fragment -//14 CbCs-OssH fragment -15 CdsH2 -0.085 0.019 -0.045 0.244 0 fragment -16 CdsH 0.05 0.011 0.068 0.469 0 fragment -17 Cds-noH 0.101 0 0.18 0.624 0 fragment -18 Cbf 0.121 0.019 0.3 0.744 0 fragment -19 Ct 0.034 0.028 0.04 0.332 0 fragment -20 Cds*(Od)Cds=CdsCds(Od) 0 0 0 0 0 fragment -22 Oss*Cds(Od)Oss 0 0 0 0 0 fragment -23 OssCds(Od)Oss* 0 0 0 0 0 fragment -26 Css(Oss*H)-Css(OssH) 0 0 0 0 0 fragment -29 OssCds(Od*)Oss 0 0 0 0 0 fragment -31 Cds(Od*)Cds=CdsCds(Od) 0 0 0 0 0 fragment -32 Cb CdsH fragment -53 Cdd Cds-noH fragment - -//Added by AJ on March 22, 2011 -54 CtH 0.034 0.028 0.04 0.332 0.082 fragment -55 OssH_phenolic 0.247 0.307 0.061 0.672 0.543 fragment -56 Cb-noH Cds-noH fragment -57 CssH2(OssH)-Css(OssH) 0.026 0 -0.0215 0.549 0 (0.5*fragment 68) + fragment 2 -58 CssH(OssH)-Css(OssH) 0.062 0.011 0.0675 0.499 0 (0.5*fragment 68) + fragment 3 -59 Css(OssH)-Css(OssH) 0.097 0.037 0.1655 0.493 0 (0.5*fragment 68) + fragment 4 -60 OssCds(Od)Oss 0.18 -0.089 -0.267 0.624 0 fragment 7 + fragment 46 diff --git a/output/RMG_database/thermo_groups/Abraham_Radical_Dictionary.txt b/output/RMG_database/thermo_groups/Abraham_Radical_Dictionary.txt deleted file mode 100644 index ebab0cd68f..0000000000 --- a/output/RMG_database/thermo_groups/Abraham_Radical_Dictionary.txt +++ /dev/null @@ -1,29 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// Corrections to Abraham Parameters for radical groups -// Amrit Jalan -// December 10, 2010 -///////////////////////////////////////////////////////////////////// - -RJ -1 * R 1 - -CJ -1 * C 1 - -OJ -1 * O 1 - -ROJ -1 R 0 {2,S} -2 * O 1 {1,S} - -ROOJ -1 R 0 {2,S} -2 O 0 {1,S} {3,S} -3 * O 1 {2,S} - -RC(O)OJ -1 R 0 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 * O 1 {2,S} \ No newline at end of file diff --git a/output/RMG_database/thermo_groups/Abraham_Radical_Library.txt b/output/RMG_database/thermo_groups/Abraham_Radical_Library.txt deleted file mode 100644 index 0067cea6eb..0000000000 --- a/output/RMG_database/thermo_groups/Abraham_Radical_Library.txt +++ /dev/null @@ -1,13 +0,0 @@ -/////////////////////////////////////////////////////////////////////////////////////////////////////////// -// Abraham Solute Descriptor corrections for radical sites -// Makes corrections to the Abraham solute descriptors for the presence of radical sites in a species -// Constructed by Amrit Jalan -// December 10, 2010 -/////////////////////////////////////////////////////////////////////////////////////////////////////////// - -//# Group S B E V A Platt's Fragment # -// Platts' name: \pi_2^H \Sigma\beta_2^H R^2 \log L^{16} \Sigma\alpha_2^H -1 ROJ 0 0 0 0 -0.345 See Abraham_Radical_Dictionary for definition -2 ROOJ 0 0 0 0 -0.345 See Abraham_Radical_Dictionary for definition -3 RC(O)OJ 0 0 0 0 -0.243 See Abraham_Radical_Dictionary for definition -4 CJ 0 0 0 0 0 No corrections to carbon centered radicals \ No newline at end of file diff --git a/output/RMG_database/thermo_groups/Abraham_Radical_Tree.txt b/output/RMG_database/thermo_groups/Abraham_Radical_Tree.txt deleted file mode 100644 index c7f86847b0..0000000000 --- a/output/RMG_database/thermo_groups/Abraham_Radical_Tree.txt +++ /dev/null @@ -1,14 +0,0 @@ -////////////////////////////////////////////////////////////////////////////// -// Abraham Solute Descriptor group tree for radical corrections // -////////////////////////////////////////////////////////////////////////////// - -L0: RJ - - L1: CJ - - L1: OJ - - L2: ROJ - L3: RC(O)OJ - L3: ROOJ - \ No newline at end of file diff --git a/output/RMG_database/thermo_groups/Abraham_Tree.txt b/output/RMG_database/thermo_groups/Abraham_Tree.txt deleted file mode 100644 index 5f2eceb5d2..0000000000 --- a/output/RMG_database/thermo_groups/Abraham_Tree.txt +++ /dev/null @@ -1,74 +0,0 @@ -/////////////////////////////////////////////////////////////////////////////////////////////////////////// -// Abraham Solute Descriptor group tree using Rob Ashcraft's Group Definitions -// Defines group trees for determining 5 out of 6 Abraham solute descriptors (all but hydrogen bond acidity) -// Constructed by Amrit Jalan -// March 30, 2009 -// Reference: Platts et al J.Chem Inf. Comput. Sci. 1999, 39, 835-845 -/////////////////////////////////////////////////////////////////////////////////////////////////////////// - - -////////////////////////////////////////////////////////////////// -//Thermo Tree & Nomenclature for groups with C as the central atom -// -//C Carbon atom, bonds are not defined -//Ct Carbon atom with one triple bond and one single bond -//Css Carbon atom with four single bonds -//Cdd Carbon atom with two double bonds -//Cds Carbon atom with one double bond and two single bonds -//CO Carbon atom with doubel bond with O and 2 single bonds -//Cb Carbon atom belonging to a benzene ring -//Cbf Carbon atom belonging to a fused benzene ring -//H Hydrogen atom -//Oss Oxygen atom with two single bonds -//Od Oxygen atom with one double bond -////////////////////////////////////////////////////////////////// - -L0: R - -L1: C - - L2: Cbf - - L2: Css - L3: CssH3 - L3: CssH2 - L4: CssH2(OssH)-Css(OssH) - L3: CssH - L4: CssH(OssH)-Css(OssH) - L3: Css-noH - L4: Css(OssH)-Css(OssH) - - L2: Cds - L3: CdsH2 - L3: CdsH - L4: Oss(CdsOd) - L5: Cds(Od)OssH - L4: Cds(Od)Cds=CdsCds(Od) - L4: Cds*(Od)Cds=CdsCds(Od) - - L3: Cds-noH - L4: Oss(CdsOd) - L5: OssCds(Od)Oss - L4: Cds(Od)OssH - L4: Cds(Od)Cds=CdsCds(Od) - L4: Cds*(Od)Cds=CdsCds(Od) - - L2: Ct - L3: CtH - L2: Cb - L3: Cb-noH - L2: Cdd - -L1: O - - L2: Oss - L3: OssH // Hydroxyl group - L4: OssH_phenolic // Hydroxyl group attached to aromatic carbon - //L3: Oss*Cds(Od)Oss // Carbonate - //L3: OssCds(Od)Oss* // Carbonate - //L3: Css(Oss*H)-Css(OssH) // 1,2-diol - L3: Oss-noncyclic - - L2: Od - //L3: OssCds(Od*)Oss // Carbonate - L3: Cds(Od*)Cds=CdsCds(Od) // Quinone \ No newline at end of file diff --git a/output/RMG_database/thermo_groups/Gauche_Dictionary.txt b/output/RMG_database/thermo_groups/Gauche_Dictionary.txt deleted file mode 100644 index fc6e6a2af7..0000000000 --- a/output/RMG_database/thermo_groups/Gauche_Dictionary.txt +++ /dev/null @@ -1,2250 +0,0 @@ -//P = primary Cs, S=secondary Cs, T=tertiary Cs, Q=quarternary Cs where n-ary Cs refers to a Cs bonded to n other Cs atoms -//notation in comments x(y1...yn) refers to central atom of type x, with ligands of type yi - -CsOsCd -1 * {Cs,Os,Cd} 0 - -Cs(RRRR) //"zeroary" (methane, or bonded to all non-Cs atoms) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 {Cs,Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -3 {Cs,Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -4 {Cs,Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cs,Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} - -Cs(CsRRR) //P(P) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} -3 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} - -Cs(Cs(CsRR)RRR) //P(S) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} - -Cs(Cs(CsCsR)RRR) //P(T) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} - -Cs(Cs(CsCsCs)RRR) //P(Q) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} - -Cs(CsCsRR) //S(PP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} - -Cs(Cs(CsRR)CsRR) //S(SP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Cs(Cs(CsRR)Cs(CsRR)RR) //S(SS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Cs(Cs(CsCsR)CsRR) //S(TP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Cs(Cs(CsCsR)Cs(CsRR)RR) //S(TS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Cs(Cs(CsCsR)Cs(CsCsR)RR) //S(TT) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Cs(Cs(CsCsCs)CsRR) //S(QP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Cs(Cs(CsCsCs)Cs(CsRR)RR) //S(QS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)RR) //S(QT) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)RR) //S(QQ) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} - -Cs(CsCsCsR) //T(PPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} - -Cs(Cs(CsRR)CsCsR) //T(SPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsRR)Cs(CsRR)CsR) //T(SSP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)R) //T(SSS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsR)CsCsR) //T(TPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsR)Cs(CsRR)CsR) //T(TSP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)R) //T(TSS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsR)Cs(CsCsR)CsR) //T(TTP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)R) //T(TTS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)R) //T(TTT) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsCs)CsCsR) //T(QPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsCs)Cs(CsRR)CsR) //T(QSP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)R) //T(QSS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)CsR) //T(QTP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)R) //T(QTS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)R) //T(QTT) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)CsR) //T(QQP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)R) //T(QQS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)R) //T(QQT) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)R) //T(QQQ) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 Cs 0 {4,S} - -Cs(CsCsCsCs) //Q(PPPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -Cs(Cs(CsRR)CsCsCs) //Q(SPPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsRR)Cs(CsRR)CsCs) //Q(SSPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)Cs) //Q(SSSP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)Cs(CsRR)) //Q(SSSS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsR)CsCsCs) //Q(TPPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsR)Cs(CsRR)CsCs) //Q(TSPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)Cs) //Q(TSSP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)Cs(CsRR)) //Q(TSSS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsR)Cs(CsCsR)CsCs) //Q(TTPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)Cs) //Q(TTSP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)Cs(CsRR)) //Q(TTSS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs) //Q(TTTP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs(CsRR)) //Q(TTTS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)) //Q(TTTT) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 Cs 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)CsCsCs) //Q(QPPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsRR)CsCs) //Q(QSPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)Cs) //Q(QSSP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)Cs(CsRR)) //Q(QSSS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)CsCs) //Q(QTPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)Cs) //Q(QTSP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)Cs(CsRR)) //Q(QTSS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs) //Q(QTTP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs(CsRR)) //Q(QTTS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)) //Q(QTTT) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 Cs 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)CsCs) //Q(QQPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)Cs) //Q(QQSP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)Cs(CsRR)) //Q(QQSS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs) //Q(QQTP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)) //Q(QQTS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)) //Q(QQTT) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 Cs 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs) //Q(QQQP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 Cs 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)) //Q(QQQS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 Cs 0 {4,S} -15 Cs 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)) //Q(QQQT) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 Cs 0 {4,S} -15 Cs 0 {5,S} -16 Cs 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)) //Q(QQQQ) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 Cs 0 {4,S} -15 Cs 0 {5,S} -16 Cs 0 {5,S} -17 Cs 0 {5,S} - -Os(RR) //zeroary oxygen (water or no Cs groups) -1 * Os 0 - -Os(CsR) //P(P) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} -3 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} - -Os(Cs(CsRR)R) //P(S) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -4 Cs 0 {2,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} - -Os(Cs(CsCsR)R) //P(T) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} - -Os(Cs(CsCsCs)R) //P(Q) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Os(CsCs) //S(PP) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} - -Os(Cs(CsRR)Cs) //S(SP) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - - -Os(Cs(CsRR)Cs(CsRR)) //S(SS) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -7 Cs 0 {3,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Os(Cs(CsCsR)Cs) //S(TP) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Os(Cs(CsCsR)Cs(CsRR)) //S(TS) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -7 Cs 0 {3,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Os(Cs(CsCsR)Cs(CsCsR)) //S(TT) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Os(Cs(CsCsCs)Cs) //S(QP) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Os(Cs(CsCsCs)Cs(CsRR)) //S(QS) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Os(Cs(CsCsCs)Cs(CsCsR)) //S(QT) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Os(Cs(CsCsCs)Cs(CsCsCs)) //S(QQ) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -Cd(CsCs) //S(PP) -1 * Cd 0 {2,D} {3,S} {4,S} -2 Cd 0 {1,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cd(Cs(CsRR)Cs) //S(SP) -1 * Cd 0 {2,D} {3,S} {4,S} -2 Cd 0 {1,D} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {1,S} {8,S} {9,S} {10,S} -5 Cs 0 {3,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - - -Cd(Cs(CsRR)Cs(CsRR)) //S(SS) -1 * Cd 0 {2,D} {3,S} {4,S} -2 Cd 0 {1,D} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {1,S} {8,S} {9,S} {10,S} -5 Cs 0 {3,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -8 Cs 0 {4,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cd(Cs(CsCsR)Cs) //S(TP) -1 * Cd 0 {2,D} {3,S} {4,S} -2 Cd 0 {1,D} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {1,S} {8,S} {9,S} {10,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cd(Cs(CsCsR)Cs(CsRR)) //S(TS) -1 * Cd 0 {2,D} {3,S} {4,S} -2 Cd 0 {1,D} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {1,S} {8,S} {9,S} {10,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -8 Cs 0 {4,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cd(Cs(CsCsR)Cs(CsCsR)) //S(TT) -1 * Cd 0 {2,D} {3,S} {4,S} -2 Cd 0 {1,D} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {1,S} {8,S} {9,S} {10,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -8 Cs 0 {4,S} -9 Cs 0 {4,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cd(Cs(CsCsCs)Cs) //S(QP) -1 * Cd 0 {2,D} {3,S} {4,S} -2 Cd 0 {1,D} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {1,S} {8,S} {9,S} {10,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cd(Cs(CsCsCs)Cs(CsRR)) //S(QS) -1 * Cd 0 {2,D} {3,S} {4,S} -2 Cd 0 {1,D} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {1,S} {8,S} {9,S} {10,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 Cs 0 {4,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cd(Cs(CsCsCs)Cs(CsCsR)) //S(QT) -1 * Cd 0 {2,D} {3,S} {4,S} -2 Cd 0 {1,D} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {1,S} {8,S} {9,S} {10,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 Cs 0 {4,S} -9 Cs 0 {4,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cd(Cs(CsCsCs)Cs(CsCsCs)) //S(QQ) -1 * Cd 0 {2,D} {3,S} {4,S} -2 Cd 0 {1,D} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {1,S} {8,S} {9,S} {10,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 Cs 0 {4,S} -9 Cs 0 {4,S} -10 Cs 0 {4,S} - -//added AG Vandeputte to deal with 3 membered ring structures - -3memberedring -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 {Cs,Cd,Cdd,Ct,Cb,Cbf,Os,CO} 0 {1,S} {3,S} -3 {Cs,Cd,Cdd,Ct,Cb,Cbf,Os,CO} 0 {1,S} {2,S} -4 {Cs,Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cs,Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} - -Cs3 -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {1,S} {2,S} -4 {Cs,Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cs,Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} - -Cs3(CsCsRR) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {1,S} {2,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} - -Cs3(Cs(CsRR)Cs(CsRR)RR) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Cs3(Cs(CsCsR)Cs(CsRR)RR) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Cs3(Cs(CsCsR)Cs(CsCsR)RR) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Cs3(Cs(CsCsCs)Cs(CsRR)RR) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Cs3(Cs(CsCsCs)Cs(CsCsR)RR) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - - -Cs3(Cs(CsCsCs)Cs(CsCsCs)RR) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -Cs3(CsCsCsR) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} - -Cs3(Cs(CsRR)Cs(CsRR)CsR) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs3(Cs(CsRR)Cs(CsRR)Cs(CsRR)R) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs3(Cs(CsCsR)Cs(CsRR)CsR) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs3(Cs(CsCsR)Cs(CsRR)Cs(CsRR)R) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs3(Cs(CsCsR)Cs(CsCsR)CsR) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)R) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)R) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 Cs 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs3(Cs(CsCsCs)Cs(CsRR)CsR) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs3(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)R) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - - - -Cs3(Cs(CsCsCs)Cs(CsCsR)CsR) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)R) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)R) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 Cs 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs3(Cs(CsCsCs)Cs(CsCsCs)CsR) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)R) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} -10 Cs 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)R) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} -10 Cs 0 {4,S} -11 Cs 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)R) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} -10 Cs 0 {4,S} -11 Cs 0 {4,S} -12 Cs 0 {4,S} - -Cs3(CsCsCsCs) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -Cs3(Cs(CsRR)Cs(CsRR)CsCs) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsRR)Cs(CsRR)Cs(CsRR)Cs) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsRR)Cs(CsRR)Cs(CsRR)Cs(CsRR)) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 Cs 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsR)Cs(CsRR)CsCs) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsR)Cs(CsRR)Cs(CsRR)Cs) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsR)Cs(CsRR)Cs(CsRR)Cs(CsRR)) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 Cs 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsR)Cs(CsCsR)CsCs) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)Cs) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)Cs(CsRR)) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 Cs 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 Cs 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs(CsRR)) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 Cs 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 Cs 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 Cs 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 Cs 0 {5,S} -14 Cs 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsCs)Cs(CsRR)CsCs) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)Cs) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)Cs(CsRR)) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 Cs 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsCs)Cs(CsCsR)CsCs) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)Cs) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)Cs(CsRR)) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 Cs 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 Cs 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs(CsRR)) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 Cs 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 Cs 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 Cs 0 {4,S} -11 Cs 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 Cs 0 {5,S} -14 Cs 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsCs)Cs(CsCsCs)CsCs) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)Cs) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} -10 Cs 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)Cs(CsRR)) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} -10 Cs 0 {4,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 Cs 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} -10 Cs 0 {4,S} -11 Cs 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - - -Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} -10 Cs 0 {4,S} -11 Cs 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 Cs 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} -10 Cs 0 {4,S} -11 Cs 0 {4,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 Cs 0 {5,S} -14 Cs 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} -10 Cs 0 {4,S} -11 Cs 0 {4,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} -10 Cs 0 {4,S} -11 Cs 0 {4,S} -12 Cs 0 {4,S} -13 Cs 0 {5,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} -10 Cs 0 {4,S} -11 Cs 0 {4,S} -12 Cs 0 {4,S} -13 Cs 0 {5,S} -14 Cs 0 {5,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {6,S} {7,S} -3 Cs 0 {1,S} {2,S} {8,S} {9,S} -4 Cs 0 {1,S} {10,S} {11,S} {12,S} -5 Cs 0 {1,S} {13,S} {14,S} {15,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} -10 Cs 0 {4,S} -11 Cs 0 {4,S} -12 Cs 0 {4,S} -13 Cs 0 {5,S} -14 Cs 0 {5,S} -15 Cs 0 {5,S} - - - diff --git a/output/RMG_database/thermo_groups/Gauche_Library.txt b/output/RMG_database/thermo_groups/Gauche_Library.txt deleted file mode 100644 index 403bd53a73..0000000000 --- a/output/RMG_database/thermo_groups/Gauche_Library.txt +++ /dev/null @@ -1,178 +0,0 @@ -//gmagoon, 2/9/09 -//the following gauche counting scheme is used (cf. Cohen and Benson, "The thermochemistry of alkanes and cycloalkanes" in The Chemistry of Alkanes and Cycloalkanes, ed. S. Patai, Z. Rappoport, 1992, p. 240 -//S-S(gauche) and S-T(syn) and T-T(cis) should be one and two and three, respectively, but they are ignored here and the lower value is used -//P-P,S,T,orQ: 0 -//S-S: 0 -//S-T: 1 -//S-Q: 2 -//T-T: 2 (except T-T-T, which is 5 total) -//T-Q: 4 -//Q-Q: 6 -//based on NIST Webbook Group additivity implementation, it seems that this is only applicable to non-rings and corrections are lower for ring atoms -//the above is the "simple" counting scheme (same as used by NIST Webbook with the exception of T-T-T); there is also the revised counting scheme, but as far as I know, it has only been tested on the 1992 revision of values (this is based on 1976 values to be consistent with rest of database) -//the total contributions for each group will be added and divided by two (since each bond will be counted twice) (except in the case of T-T-T, alkenes, and ethers, where it will not be divided by two, since it wouldn't be double-counted); the number of interactions (with division by two where applicable) appears in the comments -//a single gauche correction is worth 0.8 kcal/mol for alkanes and 0.5 kcal/mol for ethers (cf. Benson, Thermochemical Kinetics: Methods for the Estimation of Thermochemical Data and Rate Parameters, 2nd Edition, 1976. and Cohen and Benson, Chem. Rev. 93 (1993) 2419) -//for alkenes, the value of 0.5 kcal/mol is used and the counting scheme discussed in Benson, Cruickshank, Golden, Haugen, O'Neal, Rodgers, Shaw, and Walsh, Chemical Reviews, 1969, 69, 279, (including neglecting gauche for "secondary" Cs) was used -//Modified 11/06/13 to be able to deal with 3-membered cyclic components by A.G. Vandeputte -//just referenced the open ring analogue for that node - -0 CsOsCd 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 -1 Cs(RRRR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //"zeroary" (e.g. methane) -2 Cs(CsRRR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //P(P) -3 Cs(Cs(CsRR)RRR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //P(S) -4 Cs(Cs(CsCsR)RRR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //P(T) -5 Cs(Cs(CsCsCs)RRR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //P(Q) -6 Cs(CsCsRR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(PP) -7 Cs(Cs(CsRR)CsRR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(SP) -8 Cs(Cs(CsRR)Cs(CsRR)RR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(SS) -9 Cs(Cs(CsCsR)CsRR) 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(TP) 0.5 gauche interactions -10 Cs(Cs(CsCsR)Cs(CsRR)RR) 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(TS) 0.5 gauche interactions -11 Cs(Cs(CsCsR)Cs(CsCsR)RR) 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(TT) 1 gauche interaction -12 Cs(Cs(CsCsCs)CsRR) 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QP) 1 gauche interaction(GI) -13 Cs(Cs(CsCsCs)Cs(CsRR)RR) 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QS) 1 GI -14 Cs(Cs(CsCsCs)Cs(CsCsR)RR) 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QT) 1.5 GI -15 Cs(Cs(CsCsCs)Cs(CsCsCs)RR) 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QQ) 2 GI -16 Cs(CsCsCsR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(PPP) -17 Cs(Cs(CsRR)CsCsR) 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(SPP) 0.5 GI -18 Cs(Cs(CsRR)Cs(CsRR)CsR) 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(SSP) 1 GI -19 Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)R) 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(SSS) 1.5 GI -20 Cs(Cs(CsCsR)CsCsR) 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(TPP) 1 GI -21 Cs(Cs(CsCsR)Cs(CsRR)CsR) 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(TSP) 1.5 GI -22 Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)R) 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(TSS) 2 GI -23 Cs(Cs(CsCsR)Cs(CsCsR)CsR) 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(TTP) 3 GI (4/2 + 1 for T-T-T) -24 Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)R) 2.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(TTS) 3.5 GI (5/2 + 1 for T-T-T) -25 Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)R) 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(TTT) 4 GI (6/2 + 1 for T-T-T) -26 Cs(Cs(CsCsCs)CsCsR) 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(QPP) 2 GI -27 Cs(Cs(CsCsCs)Cs(CsRR)CsR) 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(QSP) 2.5 GI -28 Cs(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)R) 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(QSS) 3 GI -29 Cs(Cs(CsCsCs)Cs(CsCsR)CsR) 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(QTP) 3 GI -30 Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)R) 2.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(QTS) 3.5 GI -31 Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)R) 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(QTT) 5 GI (8/2 + 1 for T-T-T) -32 Cs(Cs(CsCsCs)Cs(CsCsCs)CsR) 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(QQP) 4 GI -33 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)R) 3.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(QQS) 4.5 GI -34 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)R) 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(QQT) 5 GI -35 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)R) 4.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(QQQ) 6 GI -36 Cs(CsCsCsCs) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(PPPP) -37 Cs(Cs(CsRR)CsCsCs) 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(SPPP) 1 GI -38 Cs(Cs(CsRR)Cs(CsRR)CsCs) 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(SSPP) 2 GI -39 Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)Cs) 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(SSSP) 3 GI -40 Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)Cs(CsRR)) 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(SSSS) 4 GI -41 Cs(Cs(CsCsR)CsCsCs) 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(TPPP) 2 GI -42 Cs(Cs(CsCsR)Cs(CsRR)CsCs) 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(TSPP) 3 GI -43 Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)Cs) 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(TSSP) 4 GI -44 Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)Cs(CsRR)) 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(TSSS) 5 GI -45 Cs(Cs(CsCsR)Cs(CsCsR)CsCs) 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(TTPP) 4 GI -46 Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)Cs) 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(TTSP) 5 GI -47 Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)Cs(CsRR)) 4.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(TTSS) 6 GI -48 Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs) 4.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(TTTP) 6 GI -49 Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs(CsRR)) 5.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(TTTS) 7 GI -50 Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)) 6.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(TTTT) 8 GI -51 Cs(Cs(CsCsCs)CsCsCs) 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QPPP) 3 GI -52 Cs(Cs(CsCsCs)Cs(CsRR)CsCs) 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QSPP) 4 GI -53 Cs(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)Cs) 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QSSP) 5 GI -54 Cs(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)Cs(CsRR)) 4.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QSSS) 6 GI -55 Cs(Cs(CsCsCs)Cs(CsCsR)CsCs) 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QTPP) 5 GI -56 Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)Cs) 4.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QTSP) 6 GI -57 Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)Cs(CsRR)) 5.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QTSS) 7 GI -58 Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs) 5.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QTTP) 7 GI -59 Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs(CsRR)) 6.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QTTS) 8 GI -60 Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)) 7.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QTTT) 9 GI -61 Cs(Cs(CsCsCs)Cs(CsCsCs)CsCs) 4.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QQPP) 6 GI -62 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)Cs) 5.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QQSP) 7 GI -63 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)Cs(CsRR)) 6.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QQSS) 8 GI -64 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs) 6.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QQTP) 8 GI -65 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)) 7.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QQTS) 9 GI -66 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)) 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QQTT) 10 GI -67 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs) 7.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QQQP) 9 GI -68 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)) 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QQQS) 10 GI -69 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)) 8.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QQQT) 11 GI -70 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)) 9.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QQQQ) 12 GI -71 Os(RR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //zeroary oxygen (e.g. water) -72 Os(CsR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //P(P) -73 Os(Cs(CsRR)R) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //P(S) -74 Os(Cs(CsCsR)R) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //P(T) -75 Os(Cs(CsCsCs)R) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //P(Q) -76 Os(CsCs) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(PP) -77 Os(Cs(CsRR)Cs) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(SP) -78 Os(Cs(CsRR)Cs(CsRR)) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(SS) -79 Os(Cs(CsCsR)Cs) 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(TP) 1 GI -80 Os(Cs(CsCsR)Cs(CsRR)) 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(TS) 1 GI -81 Os(Cs(CsCsR)Cs(CsCsR)) 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(TT) 2 GI -82 Os(Cs(CsCsCs)Cs) 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QP) 2 GI -83 Os(Cs(CsCsCs)Cs(CsRR)) 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QS) 2 GI -84 Os(Cs(CsCsCs)Cs(CsCsR)) 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QT) 3 GI -85 Os(Cs(CsCsCs)Cs(CsCsCs)) 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QQ) 4 GI -86 Cd(CsCs) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(PP) -87 Cd(Cs(CsRR)Cs) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(SP) -88 Cd(Cs(CsRR)Cs(CsRR)) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(SS) -89 Cd(Cs(CsCsR)Cs) 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(TP) 2 GI -90 Cd(Cs(CsCsR)Cs(CsRR)) 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(TS) 2 GI -91 Cd(Cs(CsCsR)Cs(CsCsR)) 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(TT) 4 GI -92 Cd(Cs(CsCsCs)Cs) 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QP) 2 GI -93 Cd(Cs(CsCsCs)Cs(CsRR)) 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QS) 2 GI -94 Cd(Cs(CsCsCs)Cs(CsCsR)) 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QT) 4 GI -95 Cd(Cs(CsCsCs)Cs(CsCsCs)) 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QQ) 4 GI - -100 3memberedring Cs3 -101 Cs3 Cs3(CsCsRR) -102 Cs3(CsCsRR) Cs3(Cs(CsRR)Cs(CsRR)RR) -103 Cs3(Cs(CsRR)Cs(CsRR)RR) Cs(Cs(CsRR)Cs(CsRR)RR) -104 Cs3(Cs(CsCsR)Cs(CsRR)RR) Cs(Cs(CsCsR)Cs(CsRR)RR) -105 Cs3(Cs(CsCsR)Cs(CsCsR)RR) Cs(Cs(CsCsR)Cs(CsCsR)RR) -106 Cs3(Cs(CsCsCs)Cs(CsRR)RR) Cs(Cs(CsCsCs)Cs(CsRR)RR) -107 Cs3(Cs(CsCsCs)Cs(CsCsR)RR) Cs(Cs(CsCsCs)Cs(CsCsR)RR) -108 Cs3(Cs(CsCsCs)Cs(CsCsCs)RR) Cs(Cs(CsCsCs)Cs(CsCsCs)RR) -109 Cs3(CsCsCsR) Cs3(Cs(CsRR)Cs(CsRR)CsR) -110 Cs3(Cs(CsRR)Cs(CsRR)CsR) Cs(Cs(CsRR)Cs(CsRR)CsR) -111 Cs3(Cs(CsRR)Cs(CsRR)Cs(CsRR)R) Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)R) -112 Cs3(Cs(CsCsR)Cs(CsRR)CsR) Cs(Cs(CsCsR)Cs(CsRR)CsR) -113 Cs3(Cs(CsCsR)Cs(CsRR)Cs(CsRR)R) Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)R) -114 Cs3(Cs(CsCsR)Cs(CsCsR)CsR) Cs(Cs(CsCsR)Cs(CsCsR)CsR) -115 Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)R) Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)R) -116 Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)R) Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)R) -117 Cs3(Cs(CsCsCs)Cs(CsRR)CsR) Cs(Cs(CsCsCs)Cs(CsRR)CsR) -118 Cs3(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)R) Cs(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)R) -119 Cs3(Cs(CsCsCs)Cs(CsCsR)CsR) Cs(Cs(CsCsCs)Cs(CsCsR)CsR) -120 Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)R) Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)R) -121 Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)R) Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)R) -122 Cs3(Cs(CsCsCs)Cs(CsCsCs)CsR) Cs(Cs(CsCsCs)Cs(CsCsCs)CsR) -123 Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)R) Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)R) -124 Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)R) Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)R) -125 Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)R) Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)R) -126 Cs3(CsCsCsCs) Cs3(Cs(CsRR)Cs(CsRR)CsCs) -127 Cs3(Cs(CsRR)Cs(CsRR)CsCs) Cs(Cs(CsRR)Cs(CsRR)CsCs) -128 Cs3(Cs(CsRR)Cs(CsRR)Cs(CsRR)Cs) Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)Cs) -129 Cs3(Cs(CsRR)Cs(CsRR)Cs(CsRR)Cs(CsRR)) Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)Cs(CsRR)) -130 Cs3(Cs(CsCsR)Cs(CsRR)CsCs) Cs(Cs(CsCsR)Cs(CsRR)CsCs) -131 Cs3(Cs(CsCsR)Cs(CsRR)Cs(CsRR)Cs) Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)Cs) -132 Cs3(Cs(CsCsR)Cs(CsRR)Cs(CsRR)Cs(CsRR)) Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)Cs(CsRR)) -133 Cs3(Cs(CsCsR)Cs(CsCsR)CsCs) Cs(Cs(CsCsR)Cs(CsCsR)CsCs) -134 Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)Cs) Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)Cs) -135 Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)Cs(CsRR)) Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)Cs(CsRR)) -136 Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs) Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs) -137 Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs(CsRR)) Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs(CsRR)) -138 Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)) Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)) -139 Cs3(Cs(CsCsCs)Cs(CsCsR)CsCs) Cs(Cs(CsCsCs)Cs(CsCsR)CsCs) -140 Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)Cs) Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)Cs) -141 Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)Cs(CsRR)) Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)Cs(CsRR)) -142 Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs) Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs) -143 Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs(CsRR)) Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs(CsRR)) -144 Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)) Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)) -145 Cs3(Cs(CsCsCs)Cs(CsCsCs)CsCs) Cs(Cs(CsCsCs)Cs(CsCsCs)CsCs) -146 Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)Cs) Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)Cs) -147 Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)Cs(CsRR)) Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)Cs(CsRR)) -148 Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs) Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs) -149 Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)) Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)) -150 Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)) Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)) -151 Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs) Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs) -152 Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)) Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)) -153 Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)) Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)) -154 Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)) Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)) - - - - - - - - diff --git a/output/RMG_database/thermo_groups/Gauche_Tree.txt b/output/RMG_database/thermo_groups/Gauche_Tree.txt deleted file mode 100644 index f223b65a09..0000000000 --- a/output/RMG_database/thermo_groups/Gauche_Tree.txt +++ /dev/null @@ -1,161 +0,0 @@ -//note that the level should correspond to the number of Cs within 2 bonds (through Cs) of the central atom -//P = primary Cs, S=secondary Cs, T=tertiary Cs, Q=quarternary Cs where n-ary Cs refers to a Cs bonded to n other Cs atoms -//notation in comments x(y1...yn) refers to central atom of type x, with ligands of type yi -//here, R refers to R!Cs -L0: CsOsCd - L1: Cs(RRRR) //"zeroary" (e.g. methane) - L2: Cs(CsRRR) //P(P) - L3: Cs(Cs(CsRR)RRR) //P(S) - L3: Cs(Cs(CsCsR)RRR) //P(T) - L3: Cs(Cs(CsCsCs)RRR) //P(Q) - L2: Cs(CsCsRR) //S(PP) - L3: Cs(Cs(CsRR)CsRR) //S(SP) - L3: Cs(Cs(CsRR)Cs(CsRR)RR) //S(SS) - L3: Cs(Cs(CsCsR)CsRR) //S(TP) - L3: Cs(Cs(CsCsR)Cs(CsRR)RR) //S(TS) - L3: Cs(Cs(CsCsR)Cs(CsCsR)RR) //S(TT) - L3: Cs(Cs(CsCsCs)CsRR) //S(QP) - L3: Cs(Cs(CsCsCs)Cs(CsRR)RR) //S(QS) - L3: Cs(Cs(CsCsCs)Cs(CsCsR)RR) //S(QT) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)RR) //S(QQ) - L2: Cs(CsCsCsR) //T(PPP) - L3: Cs(Cs(CsRR)CsCsR) //T(SPP) - L3: Cs(Cs(CsRR)Cs(CsRR)CsR) //T(SSP) - L3: Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)R) //T(SSS) - L3: Cs(Cs(CsCsR)CsCsR) //T(TPP) - L3: Cs(Cs(CsCsR)Cs(CsRR)CsR) //T(TSP) - L3: Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)R) //T(TSS) - L3: Cs(Cs(CsCsR)Cs(CsCsR)CsR) //T(TTP) - L3: Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)R) //T(TTS) - L3: Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)R) //T(TTT) - L3: Cs(Cs(CsCsCs)CsCsR) //T(QPP) - L3: Cs(Cs(CsCsCs)Cs(CsRR)CsR) //T(QSP) - L3: Cs(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)R) //T(QSS) - L3: Cs(Cs(CsCsCs)Cs(CsCsR)CsR) //T(QTP) - L3: Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)R) //T(QTS) - L3: Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)R) //T(QTT) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)CsR) //T(QQP) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)R) //T(QQS) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)R) //T(QQT) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)R) //T(QQQ) - L2: Cs(CsCsCsCs) //Q(PPPP) - L3: Cs(Cs(CsRR)CsCsCs) //Q(SPPP) - L3: Cs(Cs(CsRR)Cs(CsRR)CsCs) //Q(SSPP) - L3: Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)Cs) //Q(SSSP) - L3: Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)Cs(CsRR)) //Q(SSSS) - L3: Cs(Cs(CsCsR)CsCsCs) //Q(TPPP) - L3: Cs(Cs(CsCsR)Cs(CsRR)CsCs) //Q(TSPP) - L3: Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)Cs) //Q(TSSP) - L3: Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)Cs(CsRR)) //Q(TSSS) - L3: Cs(Cs(CsCsR)Cs(CsCsR)CsCs) //Q(TTPP) - L3: Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)Cs) //Q(TTSP) - L3: Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)Cs(CsRR)) //Q(TTSS) - L3: Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs) //Q(TTTP) - L3: Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs(CsRR)) //Q(TTTS) - L3: Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)) //Q(TTTT) - L3: Cs(Cs(CsCsCs)CsCsCs) //Q(QPPP) - L3: Cs(Cs(CsCsCs)Cs(CsRR)CsCs) //Q(QSPP) - L3: Cs(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)Cs) //Q(QSSP) - L3: Cs(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)Cs(CsRR)) //Q(QSSS) - L3: Cs(Cs(CsCsCs)Cs(CsCsR)CsCs) //Q(QTPP) - L3: Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)Cs) //Q(QTSP) - L3: Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)Cs(CsRR)) //Q(QTSS) - L3: Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs) //Q(QTTP) - L3: Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs(CsRR)) //Q(QTTS) - L3: Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)) //Q(QTTT) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)CsCs) //Q(QQPP) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)Cs) //Q(QQSP) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)Cs(CsRR)) //Q(QQSS) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs) //Q(QQTP) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)) //Q(QQTS) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)) //Q(QQTT) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs) //Q(QQQP) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)) //Q(QQQS) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)) //Q(QQQT) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)) //Q(QQQQ) - L1: Os(RR) //zeroary oxygen (e.g. water) - L2: Os(CsR) //P(P) - L3: Os(Cs(CsRR)R) //P(S) - L3: Os(Cs(CsCsR)R) //P(T) - L3: Os(Cs(CsCsCs)R) //P(Q) - L2: Os(CsCs) //S(PP) - L3: Os(Cs(CsRR)Cs) //S(SP) - L3: Os(Cs(CsRR)Cs(CsRR)) //S(SS) - L3: Os(Cs(CsCsR)Cs) //S(TP) - L3: Os(Cs(CsCsR)Cs(CsRR)) //S(TS) - L3: Os(Cs(CsCsR)Cs(CsCsR)) //S(TT) - L3: Os(Cs(CsCsCs)Cs) //S(QP) - L3: Os(Cs(CsCsCs)Cs(CsRR)) //S(QS) - L3: Os(Cs(CsCsCs)Cs(CsCsR)) //S(QT) - L3: Os(Cs(CsCsCs)Cs(CsCsCs)) //S(QQ) - L1: Cd(CsCs) //S(PP) - L2: Cd(Cs(CsRR)Cs) //S(SP) - L2: Cd(Cs(CsRR)Cs(CsRR)) //S(SS) - L2: Cd(Cs(CsCsR)Cs) //S(TP) - L2: Cd(Cs(CsCsR)Cs(CsRR)) //S(TS) - L2: Cd(Cs(CsCsR)Cs(CsCsR)) //S(TT) - L2: Cd(Cs(CsCsCs)Cs) //S(QP) - L2: Cd(Cs(CsCsCs)Cs(CsRR)) //S(QS) - L2: Cd(Cs(CsCsCs)Cs(CsCsR)) //S(QT) - L2: Cd(Cs(CsCsCs)Cs(CsCsCs)) //S(QQ) - L1: 3memberedring - L2: Cs3 - L3: Cs3(CsCsRR) - L4: Cs3(Cs(CsRR)Cs(CsRR)RR) - L4: Cs3(Cs(CsCsR)Cs(CsRR)RR) - L4: Cs3(Cs(CsCsR)Cs(CsCsR)RR) - L4: Cs3(Cs(CsCsCs)Cs(CsRR)RR) - L4: Cs3(Cs(CsCsCs)Cs(CsCsR)RR) - L4: Cs3(Cs(CsCsCs)Cs(CsCsCs)RR) - L3: Cs3(CsCsCsR) - L4: Cs3(Cs(CsRR)Cs(CsRR)CsR) - L4: Cs3(Cs(CsRR)Cs(CsRR)Cs(CsRR)R) - L4: Cs3(Cs(CsCsR)Cs(CsRR)CsR) - L4: Cs3(Cs(CsCsR)Cs(CsRR)Cs(CsRR)R) - L4: Cs3(Cs(CsCsR)Cs(CsCsR)CsR) - L4: Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)R) - L4: Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)R) - L4: Cs3(Cs(CsCsCs)Cs(CsRR)CsR) - L4: Cs3(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)R) - L4: Cs3(Cs(CsCsCs)Cs(CsCsR)CsR) - L4: Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)R) - L4: Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)R) - L4: Cs3(Cs(CsCsCs)Cs(CsCsCs)CsR) - L4: Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)R) - L4: Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)R) - L4: Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)R) - L3: Cs3(CsCsCsCs) - L4: Cs3(Cs(CsRR)Cs(CsRR)CsCs) - L4: Cs3(Cs(CsRR)Cs(CsRR)Cs(CsRR)Cs) - L4: Cs3(Cs(CsRR)Cs(CsRR)Cs(CsRR)Cs(CsRR)) - L4: Cs3(Cs(CsCsR)Cs(CsRR)CsCs) - L4: Cs3(Cs(CsCsR)Cs(CsRR)Cs(CsRR)Cs) - L4: Cs3(Cs(CsCsR)Cs(CsRR)Cs(CsRR)Cs(CsRR)) - L4: Cs3(Cs(CsCsR)Cs(CsCsR)CsCs) - L4: Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)Cs) - L4: Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)Cs(CsRR)) - L4: Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs) - L4: Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs(CsRR)) - L4: Cs3(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)) - L4: Cs3(Cs(CsCsCs)Cs(CsCsR)CsCs) - L4: Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)Cs) - L4: Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)Cs(CsRR)) - L4: Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs) - L4: Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs(CsRR)) - L4: Cs3(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)) - L4: Cs3(Cs(CsCsCs)Cs(CsCsCs)CsCs) - L4: Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)Cs) - L4: Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)Cs(CsRR)) - L4: Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs) - L4: Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)) - L4: Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)) - L4: Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs) - L4: Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)) - L4: Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)) - L4: Cs3(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)) - - - - - - diff --git a/output/RMG_database/thermo_groups/Group_Dictionary.txt b/output/RMG_database/thermo_groups/Group_Dictionary.txt deleted file mode 100644 index eef9e95bab..0000000000 --- a/output/RMG_database/thermo_groups/Group_Dictionary.txt +++ /dev/null @@ -1,15784 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// Carbon Adjacency List -// -// Joanna Yu, May 11, 2004 -// -// This version uses the Functional Group definitions -// -///////////////////////////////////////////////////////////////////// - - - R - 1 * R 0 - -// Carbon adjList - - C // L1 Node - 1 * C 0 - - Cbf // L2 Node - 1 * Cbf 0 - - Cbf-CbCbCbf - 1 * Cbf 0 {2,B} {3,B} {4,B} - 2 Cb 0 {1,B} - 3 Cb 0 {1,B} - 4 Cbf 0 {1,B} - - Cbf-CbCbfCbf - 1 * Cbf 0 {2,B} {3,B} {4,B} - 2 Cb 0 {1,B} - 3 Cbf 0 {1,B} - 4 Cbf 0 {1,B} - - Cbf-CbfCbfCbf - 1 * Cbf 0 {2,B} {3,B} {4,B} - 2 Cbf 0 {1,B} - 3 Cbf 0 {1,B} - 4 Cbf 0 {1,B} - - Cb - 1 * Cb 0 - - Cb-H - 1 * Cb 0 {2,S} - 2 H 0 {1,S} - - Cb-Os - 1 * Cb 0 {2,S} - 2 Os 0 {1,S} - - Cb-C - 1 * Cb 0 {2,S} - 2 C 0 {1,S} - - Cb-Cs - 1 * Cb 0 {2,S} - 2 Cs 0 {1,S} - - Cb-Cds - 1 * Cb 0 {2,S} - 2 {Cd,CO} 0 {1,S} - - Cb-(Cds-Od) - 1 * Cb 0 {2,S} - 2 CO 0 {1,S} - - Cb-(Cds-Cd) - 1 * Cb 0 {2,S} - 2 Cd 0 {1,S} - - Cb-(Cds-Cds) - 1 * Cb 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Cd 0 {2,D} - - Cb-(Cds-Cdd) - 1 * Cb 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Cdd 0 {2,D} - - Cb-(Cds-Cdd-Od) - 1 * Cb 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Cdd 0 {2,D} {4,D} - 4 Od 0 {3,D} - - Cb-(Cds-Cdd-Cd) - 1 * Cb 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Cdd 0 {2,D} {4,D} - 4 C 0 {3,D} - - Cb-Ct - 1 * Cb 0 {2,S} - 2 Ct 0 {1,S} - - Cb-Cb - 1 * Cb 0 {2,S} - 2 Cb 0 {1,S} - - Ct - 1 * Ct 0 - - Ct-H - 1 * Ct 0 {2,S} - 2 H 0 {1,S} - - Ct-Os - 1 * Ct 0 {2,S} - 2 Os 0 {1,S} - - Ct-C - 1 * Ct 0 {2,S} - 2 C 0 {1,S} - - Ct-Cs - 1 * Ct 0 {2,S} - 2 Cs 0 {1,S} - - Ct-Cds - 1 * Ct 0 {2,S} - 2 {Cd,CO} 0 {1,S} - - Ct-(Cds-Od) - 1 * Ct 0 {2,S} - 2 CO 0 {1,S} - - Ct-(Cds-Cd) - 1 * Ct 0 {2,S} - 2 Cd 0 {1,S} - - Ct-(Cds-Cds) - 1 * Ct 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Cd 0 {2,D} - - Ct-(Cds-Cdd) - 1 * Ct 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Cdd 0 {2,D} - - Ct-(Cds-Cdd-Od) - 1 * Ct 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Cdd 0 {2,D} {4,D} - 4 Od 0 {3,D} - - Ct-(Cds-Cdd-Cd) - 1 * Ct 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Cdd 0 {2,D} {4,D} - 4 C 0 {3,D} - - Ct-Ct - 1 * Ct 0 {2,S} - 2 Ct 0 {1,S} - - Ct-Cb - 1 * Ct 0 {2,S} - 2 Cb 0 {1,S} - - Cdd - 1 * Cdd 0 - - Cdd-OdOd - 1 * Cdd 0 {2,D} {3,D} - 2 Od 0 {1,D} - 3 Od 0 {1,D} - - Cdd-CdOd - 1 * Cdd 0 {2,D} {3,D} - 2 C 0 {1,D} - 3 Od 0 {1,D} - - Cdd-CdsOd - 1 * Cdd 0 {2,D} {3,D} - 2 Cd 0 {1,D} - 3 Od 0 {1,D} - - Cdd-CddOd - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} - 3 Od 0 {1,D} - - Cdd-(Cdd-Cd)Od - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Od 0 {1,D} - 4 C 0 {2,D} - - Cdd-(Cdd-Od)Od - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Od 0 {1,D} - 4 Od 0 {2,D} - - Cdd-CdCd - 1 * Cdd 0 {2,D} {3,D} - 2 C 0 {1,D} - 3 C 0 {1,D} - - Cdd-CddCdd - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} - 3 Cdd 0 {1,D} - - Cdd-(Cdd-Od)(Cdd-Od) - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Cdd 0 {1,D} {5,D} - 4 Od 0 {2,D} - 5 Od 0 {3,D} - - Cdd-(Cdd-Od)(Cdd-Cd) - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Cdd 0 {1,D} {5,D} - 4 Od 0 {2,D} - 5 C 0 {3,D} - - Cdd-(Cdd-Cd)(Cdd-Cd) - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Cdd 0 {1,D} {5,D} - 4 C 0 {2,D} - 5 C 0 {3,D} - - Cdd-CddCds - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} - 3 Cd 0 {1,D} - - Cdd-(Cdd-Od)Cds - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Cd 0 {1,D} - 4 Od 0 {2,D} - - Cdd-(Cdd-Cd)Cds - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Cd 0 {1,D} - 4 C 0 {2,D} - - Cdd-CdsCds - 1 * Cdd 0 {2,D} {3,D} - 2 Cd 0 {1,D} - 3 Cd 0 {1,D} - - Cds - 1 * {Cd,CO} 0 - - Cds-OdHH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - - Cds-OdOsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Os 0 {1,S} - 4 H 0 {1,S} - - Cds-OdOsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - - Cds-OdCH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 C 0 {1,S} - 4 H 0 {1,S} - - Cds-OdCsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - - Cds-OdCdsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 H 0 {1,S} - - Cds-Od(Cds-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 CO 0 {1,S} - 4 H 0 {1,S} - - Cds-Od(Cds-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} - 4 H 0 {1,S} - - Cds-Od(Cds-Cds)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cd 0 {3,D} - - Cds-Od(Cds-Cdd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cdd 0 {3,D} - - Cds-Od(Cds-Cdd-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Od 0 {5,D} - - Cds-Od(Cds-Cdd-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - Cds-OdCtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - - Cds-OdCbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - - Cds-OdCOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 C 0 {1,S} - 4 Os 0 {1,S} - - Cds-OdCsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - - Cds-OdCdsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 Os 0 {1,S} - - Cds-Od(Cds-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 CO 0 {1,S} - 4 Os 0 {1,S} - - Cds-Od(Cds-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} - 4 Os 0 {1,S} - - Cds-Od(Cds-Cds)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Os 0 {1,S} - 5 Cd 0 {3,D} - - Cds-Od(Cds-Cdd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Os 0 {1,S} - 5 Cdd 0 {3,D} - - Cds-Od(Cds-Cdd-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Os 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Od 0 {5,D} - - Cds-Od(Cds-Cdd-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Os 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - Cds-OdCtOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - - Cds-OdCbOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - - Cds-OdCC - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 C 0 {1,S} - 4 C 0 {1,S} - - Cds-OdCsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - - Cds-OdCdsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - - Cds-Od(Cds-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 CO 0 {1,S} - 4 Cs 0 {1,S} - - Cds-Od(Cds-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - - Cds-Od(Cds-Cds)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cd 0 {3,D} - - Cds-Od(Cds-Cdd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cdd 0 {3,D} - - Cds-Od(Cds-Cdd-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Od 0 {5,D} - - Cds-Od(Cds-Cdd-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - Cds-OdCdsCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - - Cds-Od(Cds-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - - Cds-Od(Cds-Cd)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} - 4 CO 0 {1,S} - - Cds-Od(Cds-Cds)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 CO 0 {1,S} - 5 Cd 0 {3,D} - - Cds-Od(Cds-Cdd)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 CO 0 {1,S} - 5 Cdd 0 {3,D} - - Cds-Od(Cds-Cdd-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 CO 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Od 0 {5,D} - - Cds-Od(Cds-Cdd-Cd)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 CO 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - Cds-Od(Cds-Cd)(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - - Cds-Od(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {3,D} - 6 Cd 0 {4,D} - - Cds-Od(Cds-Cdd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} - 6 Cd 0 {4,D} - - Cds-Od(Cds-Cdd-Od)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cd 0 {4,D} - 7 Od 0 {5,D} - - Cds-Od(Cds-Cdd-Cd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cd 0 {4,D} - 7 C 0 {5,D} - - Cds-Od(Cds-Cdd)(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} - 6 Cdd 0 {4,D} - - Cds-Od(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Od 0 {5,D} - 8 Od 0 {6,D} - - Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 C 0 {5,D} - 8 Od 0 {6,D} - - Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 C 0 {5,D} - 8 C 0 {6,D} - - Cds-OdCtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - - Cds-OdCtCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - - Cds-OdCt(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 CO 0 {1,S} - - Cds-OdCt(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} - - Cds-OdCt(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cd 0 {4,D} - - Cds-OdCt(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} - - Cds-OdCt(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 Od 0 {5,D} - - Cds-OdCt(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 C 0 {5,D} - - Cds-OdCtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - - Cds-OdCbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - - Cds-OdCbCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 {Cd,CO} 0 {1,S} - - Cds-OdCb(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 CO 0 {1,S} - - Cds-OdCb(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} - - Cds-OdCb(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cd 0 {4,D} - - Cds-OdCb(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} - - Cds-OdCb(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 Od 0 {5,D} - - Cds-OdCb(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 C 0 {5,D} - - Cds-OdCbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - - Cds-OdCbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - - Cds-CdHH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - - Cds-CdsHH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - - Cds-CddHH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - - Cds-(Cdd-Od)HH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)HH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - - Cds-CdOsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 Os 0 {1,S} - 4 H 0 {1,S} - - Cds-CdsOsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Os 0 {1,S} - 4 H 0 {1,S} - - Cds-CddOsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Os 0 {1,S} - 4 H 0 {1,S} - - Cds-(Cdd-Od)OsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)OsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - - Cds-CdOsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - - Cds-CdsOsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - - Cds-CddOsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - - Cds-(Cdd-Od)OsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)OsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 C 0 {2,D} - - Cds-CdCH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 C 0 {1,S} - 4 H 0 {1,S} - - Cds-CdsCsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - - Cds-CdsCdsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 H 0 {1,S} - - Cds-Cds(Cds-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 CO 0 {1,S} - 4 H 0 {1,S} - - Cds-Cds(Cds-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} - 4 H 0 {1,S} - - Cds-Cds(Cds-Cds)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cd 0 {3,D} - - Cds-Cds(Cds-Cdd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cdd 0 {3,D} - - Cds-Cds(Cds-Cdd-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Od 0 {5,D} - - Cds-Cds(Cds-Cdd-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - Cds-CdsCtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - - Cds-CdsCbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - - Cds-CddCsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - - Cds-(Cdd-Od)CsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCdsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 H 0 {1,S} - - Cds-(Cdd-Od)(Cds-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 H 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 H 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cds)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 Od 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - - Cds-(Cdd-Cd)(Cds-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - - Cds-(Cdd-Cd)(Cds-Cds)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-CddCtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - - Cds-(Cdd-Od)CtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - - Cds-(Cdd-Od)CbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - - Cds-CdCO - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 C 0 {1,S} - 4 O 0 {1,S} - - Cds-CdsCsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - - Cds-CdsCdsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 Os 0 {1,S} - - Cds-Cds(Cds-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 CO 0 {1,S} - 4 Os 0 {1,S} - - Cds-Cds(Cds-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} - 4 Os 0 {1,S} - - Cds-Cds(Cds-Cds)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Os 0 {1,S} - 5 Cd 0 {3,D} - - Cds-Cds(Cds-Cdd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Os 0 {1,S} - 5 Cdd 0 {3,D} - - Cds-Cds(Cds-Cdd-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Os 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Od 0 {5,D} - - Cds-Cds(Cds-Cdd-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Os 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - Cds-CdsCtOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - - Cds-CdsCbOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - - Cds-CddCsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - - Cds-(Cdd-Od)CsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCdsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 Os 0 {1,S} - - Cds-(Cdd-Od)(Cds-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 Os 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Os 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cds)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 Od 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Os 0 {1,S} - 5 C 0 {2,D} - - Cds-(Cdd-Cd)(Cds-Cds)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 C 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-CddCtOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - - Cds-(Cdd-Od)CtOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CtOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCbOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - - Cds-(Cdd-Od)CbOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CbOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 C 0 {2,D} - - Cds-CdCC - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 C 0 {1,S} - 4 C 0 {1,S} - - Cds-CdsCsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - - Cds-CdsCdsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - - Cds-Cds(Cds-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 CO 0 {1,S} - 4 Cs 0 {1,S} - - Cds-Cds(Cds-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - - Cds-Cds(Cds-Cds)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cd 0 {3,D} - - Cds-Cds(Cds-Cdd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cdd 0 {3,D} - - Cds-Cds(Cds-Cdd-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Od 0 {5,D} - - Cds-Cds(Cds-Cdd-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - Cds-CdsCdsCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - - Cds-Cds(Cds-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - - Cds-Cds(Cds-Od)(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} - - Cds-Cds(Cds-Od)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cd 0 {4,D} - - Cds-Cds(Cds-Od)(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} - - Cds-Cds(Cds-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 Od 0 {5,D} - - Cds-Cds(Cds-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 C 0 {5,D} - - Cds-Cds(Cds-Cd)(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - - Cds-Cds(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {3,D} - 6 Cd 0 {4,D} - - Cds-Cds(Cds-Cds)(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {3,D} - 6 Cdd 0 {4,D} - - Cds-Cds(Cds-Cds)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {3,D} - 6 Cdd 0 {4,D} {7,D} - 7 Od 0 {6,D} - - Cds-Cds(Cds-Cds)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {3,D} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - - Cds-Cds(Cds-Cdd)(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} - 6 Cdd 0 {4,D} - - Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Od 0 {5,D} - 8 Od 0 {6,D} - - Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Od 0 {5,D} - 8 C 0 {6,D} - - Cds-Cds(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 C 0 {5,D} - 8 C 0 {6,D} - - Cds-CdsCtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - - Cds-CdsCtCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - - Cds-CdsCt(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ct 0 {1,S} - 4 CO 0 {1,S} - - Cds-CdsCt(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} - - Cds-Cds(Cds-Cds)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ct 0 {1,S} - 5 Cd 0 {3,D} - - Cds-Cds(Cds-Cdd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ct 0 {1,S} - 5 Cdd 0 {3,D} - - Cds-Cds(Cds-Cdd-Od)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ct 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Od 0 {5,D} - - Cds-Cds(Cds-Cdd-Cd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ct 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - Cds-CdsCtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - - Cds-CdsCbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - - Cds-CdsCbCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cb 0 {1,S} - 4 {Cd,CO} 0 {1,S} - - Cds-CdsCb(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cb 0 {1,S} - 4 CO 0 {1,S} - - Cds-Cds(Cds-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - - Cds-Cds(Cds-Cds)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cb 0 {1,S} - 5 Cd 0 {3,D} - - Cds-Cds(Cds-Cdd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cb 0 {1,S} - 5 Cdd 0 {3,D} - - Cds-Cds(Cds-Cdd-Od)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cb 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Od 0 {5,D} - - Cds-Cds(Cds-Cdd-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cb 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - Cds-CdsCbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - - Cds-CdsCbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - - Cds-CddCsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - - Cds-(Cdd-Od)CsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCdsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - - Cds-(Cdd-Od)(Cds-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 Cs 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cds)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Od 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 C 0 {2,D} - - Cds-(Cdd-Cd)(Cds-Cds)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 C 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-CddCdsCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - - Cds-(Cdd-Od)(Cds-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cd)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 CO 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 CO 0 {1,S} - 5 Od 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 CO 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 CO 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 CO 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cd)(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Od 0 {2,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - - Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Od 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 C 0 {2,D} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} - 5 C 0 {2,D} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 C 0 {2,D} - 6 Cd 0 {4,D} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 C 0 {2,D} - 6 Cdd 0 {4,D} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 C 0 {2,D} - 6 Cdd 0 {4,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 C 0 {2,D} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cd)(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 C 0 {2,D} - - Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - - Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Od 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cds-CddCtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - - Cds-(Cdd-Od)CtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCtCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - - Cds-(Cdd-Od)(Cds-Od)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 Ct 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cds)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Od 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 C 0 {2,D} - - Cds-(Cdd-Cd)(Cds-Cds)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 C 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-CddCtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - - Cds-(Cdd-Od)CtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - - Cds-(Cdd-Od)CbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCbCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cb 0 {1,S} - 4 {Cd,CO} 0 {1,S} - - Cds-(Cdd-Od)(Cds-Od)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 Cb 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cds)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Od 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 C 0 {2,D} - - Cds-(Cdd-Cd)(Cds-Cds)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 C 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-CddCbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - - Cds-(Cdd-Od)CbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - - Cds-(Cdd-Od)CbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 C 0 {2,D} - - Cs - 1 * Cs 0 - - Cs-HHHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 H 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CHHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CsHHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsHHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)HHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)HHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)HHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)HHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)HHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)HHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtHHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CbHHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-OsHHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Os 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-OsOsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Os 0 {1,S} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-OsOsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Os 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-OsSsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Os 0 {1,S} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-OsOsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Os 0 {1,S} - 3 Os 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CCHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CsCsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsCsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)CsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)CsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CdsCdsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CtCdsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)CtHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)CtHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CtHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CtHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCdsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)CbHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)CbHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CbHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCtHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCbHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CCCH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 C 0 {1,S} - 5 H 0 {1,S} - - Cs-CsCsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsCsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)CsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)CsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsCdsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCdsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)CtCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)CtCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CtCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CtCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCdsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)CbCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)CbCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CbCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCtCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCbCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsCdsCdsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 Od 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Od 0 {7,D} - 10 Od 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Od 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 C 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 Od 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 C 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-CtCdsCdsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CbCdsCdsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCtCdsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 H 0 {1,S} - - Cs-CtCt(Cds-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 CO 0 {1,S} - 5 H 0 {1,S} - - Cs-CtCt(Cds-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} - 5 H 0 {1,S} - - Cs-CtCt(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cd 0 {4,D} - - Cs-CtCt(Cds-Cdd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} - - Cs-CtCt(Cds-Cdd-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Od 0 {6,D} - - Cs-CtCt(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCtCdsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCt(Cds-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 CO 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCt(Cds-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCt(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cd 0 {4,D} - - Cs-CbCt(Cds-Cdd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} - - Cs-CbCt(Cds-Cdd-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Od 0 {6,D} - - Cs-CbCt(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCbCdsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCb(Cds-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 CO 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCb(Cds-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCb(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cd 0 {4,D} - - Cs-CbCb(Cds-Cdd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} - - Cs-CbCb(Cds-Cdd-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Od 0 {6,D} - - Cs-CbCb(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtCtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCtCtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCbCtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCbCbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - - Cs-CCCC - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 C 0 {1,S} - 5 C 0 {1,S} - - Cs-CsCsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CdsCsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)CsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cd)CsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cds)CsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CbCsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CdsCdsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCdsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)CtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cd)CtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cds)CtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCdsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)CbCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cd)CbCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cds)CbCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CbCtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CbCbCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CdsCdsCdsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cs 0 {1,S} - 6 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {4,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 Od 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Od 0 {7,D} - 10 Od 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Od 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 C 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 Od 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 C 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-CtCdsCdsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CbCdsCdsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCtCdsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)CtCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cd)CtCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cds)CtCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CtCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCtCdsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)CbCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cd)CbCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cds)CbCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCbCdsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)CbCbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cd)CbCbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cds)CbCbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbCbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CbCtCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CbCbCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CbCbCbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CdsCdsCdsCds - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 {Cd,CO} 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Od) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 CO 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 Cd 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 Cd 0 {1,S} {6,D} - 6 Cd 0 {5,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 Cd 0 {1,S} {6,D} - 6 Cdd 0 {5,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Od) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 Cd 0 {1,S} {6,D} - 6 Cdd 0 {5,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 Cd 0 {1,S} {6,D} - 6 Cdd 0 {5,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)(Cds-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} - 5 Cd 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cd 0 {4,D} - 7 Cd 0 {5,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} - 7 Cd 0 {5,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Cd 0 {5,D} - 8 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Cd 0 {5,D} - 8 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} - 7 Cdd 0 {5,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Cdd 0 {5,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Cdd 0 {5,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Cdd 0 {5,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)(Cds-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Cd 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Cd 0 {5,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Cdd 0 {5,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Cdd 0 {5,D} {9,D} - 9 Od 0 {8,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Cdd 0 {5,D} {9,D} - 9 C 0 {8,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cdd 0 {4,D} - 8 Cdd 0 {5,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cdd 0 {4,D} {9,D} - 8 Cdd 0 {5,D} {10,D} - 9 Od 0 {7,D} - 10 Od 0 {8,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cdd 0 {4,D} {9,D} - 8 Cdd 0 {5,D} {10,D} - 9 Od 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cdd 0 {4,D} {9,D} - 8 Cdd 0 {5,D} {10,D} - 9 C 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - 8 Cdd 0 {5,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cdd 0 {3,D} {9,D} - 7 Cdd 0 {4,D} {10,D} - 8 Cdd 0 {5,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 Od 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cdd 0 {3,D} {9,D} - 7 Cdd 0 {4,D} {10,D} - 8 Cdd 0 {5,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cdd 0 {3,D} {9,D} - 7 Cdd 0 {4,D} {10,D} - 8 Cdd 0 {5,D} {11,D} - 9 Od 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cdd 0 {3,D} {9,D} - 7 Cdd 0 {4,D} {10,D} - 8 Cdd 0 {5,D} {11,D} - 9 C 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)(Cds-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Cd 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - 9 Cd 0 {5,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - 9 Cdd 0 {5,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - 9 Cdd 0 {5,D} {10,D} - 10 Od 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - 9 Cdd 0 {5,D} {10,D} - 10 C 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} - 9 Cdd 0 {5,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {10,D} - 9 Cdd 0 {5,D} {11,D} - 10 Od 0 {8,D} - 11 Od 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {10,D} - 9 Cdd 0 {5,D} {11,D} - 10 Od 0 {8,D} - 11 C 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {10,D} - 9 Cdd 0 {5,D} {11,D} - 10 C 0 {8,D} - 11 C 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - 9 Cdd 0 {5,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Cdd 0 {5,D} {12,D} - 10 Od 0 {7,D} - 11 Od 0 {8,D} - 12 Od 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Cdd 0 {5,D} {12,D} - 10 Od 0 {7,D} - 11 Od 0 {8,D} - 12 C 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Cdd 0 {5,D} {12,D} - 10 Od 0 {7,D} - 11 C 0 {8,D} - 12 C 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Cdd 0 {5,D} {12,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - 12 C 0 {9,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - 9 Cdd 0 {5,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cdd 0 {2,D} {10,D} - 7 Cdd 0 {3,D} {11,D} - 8 Cdd 0 {4,D} {12,D} - 9 Cdd 0 {5,D} {13,D} - 10 Od 0 {6,D} - 11 Od 0 {7,D} - 12 Od 0 {8,D} - 13 Od 0 {9,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cdd 0 {2,D} {10,D} - 7 Cdd 0 {3,D} {11,D} - 8 Cdd 0 {4,D} {12,D} - 9 Cdd 0 {5,D} {13,D} - 10 Od 0 {6,D} - 11 Od 0 {7,D} - 12 Od 0 {8,D} - 13 C 0 {9,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cdd 0 {2,D} {10,D} - 7 Cdd 0 {3,D} {11,D} - 8 Cdd 0 {4,D} {12,D} - 9 Cdd 0 {5,D} {13,D} - 10 Od 0 {6,D} - 11 Od 0 {7,D} - 12 C 0 {8,D} - 13 C 0 {9,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cdd 0 {2,D} {10,D} - 7 Cdd 0 {3,D} {11,D} - 8 Cdd 0 {4,D} {12,D} - 9 Cdd 0 {5,D} {13,D} - 10 Od 0 {6,D} - 11 C 0 {7,D} - 12 C 0 {8,D} - 13 C 0 {9,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cdd 0 {2,D} {10,D} - 7 Cdd 0 {3,D} {11,D} - 8 Cdd 0 {4,D} {12,D} - 9 Cdd 0 {5,D} {13,D} - 10 C 0 {6,D} - 11 C 0 {7,D} - 12 C 0 {8,D} - 13 C 0 {9,D} - - Cs-CtCdsCdsCds - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 {Cd,CO} 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Ct 0 {1,S} - 6 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {4,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 Od 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Od 0 {7,D} - 10 Od 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Od 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 C 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 Od 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 C 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-CbCdsCdsCds - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 {Cd,CO} 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 Cb 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} - 5 Cb 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cb 0 {1,S} - 6 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {4,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Cb 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Cb 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 Od 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Od 0 {7,D} - 10 Od 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Od 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 C 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 Od 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 C 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-CtCtCdsCds - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 {Cd,CO} 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CbCtCdsCds - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 {Cd,CO} 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CbCbCdsCds - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 {Cd,CO} 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCtCtCds - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 {Cd,CO} 0 {1,S} - - Cs-(Cds-Od)CtCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Cd)CtCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Cds)CtCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CtCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCtCtCds - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 {Cd,CO} 0 {1,S} - - Cs-(Cds-Od)CbCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Cd)CbCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Cds)CbCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCbCtCds - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 {Cd,CO} 0 {1,S} - - Cs-(Cds-Od)CbCbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Cd)CbCbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Cds)CbCbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbCbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCbCbCds - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 {Cd,CO} 0 {1,S} - - Cs-(Cds-Od)CbCbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - - Cs-(Cds-Cd)CbCbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - - Cs-(Cds-Cds)CbCbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbCbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - - Cs-CbCtCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - - Cs-CbCbCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - - Cs-CbCbCbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - - Cs-CbCbCbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - - Cs-CCCOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 C 0 {1,S} - 5 Os 0 {1,S} - - Cs-CsCsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-CdsCsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)CsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cd)CsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)CsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-OsCtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Os 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CbCsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-CdsCdsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCdsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)CtCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cd)CtCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)CtCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CtCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCdsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)CbCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cd)CbCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)CbCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-CbCtCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-CbCbCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-CdsCdsCdsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Os 0 {1,S} - 6 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Os 0 {1,S} - 6 Cdd 0 {4,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Os 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Os 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Os 0 {1,S} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 Od 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Od 0 {7,D} - 10 Od 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Od 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 C 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 Od 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 C 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-CtCdsCdsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CbCdsCdsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCtCdsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)CtCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cd)CtCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)CtCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CtCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCtCdsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)CbCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cd)CbCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)CbCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCbCdsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)CbCbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cd)CbCbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)CbCbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbCbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - - Cs-CbCtCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - - Cs-CbCbCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - - Cs-CbCbCbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - - Cs-CCOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-CsCsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-CdsCsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)CsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cd)CsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)CsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CdsCdsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-CtCdsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)CtOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cd)CtOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)CtOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CtOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-CbCsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-CbCdsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)CbOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cd)CbOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)CbOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCtOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-CbCbOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-COsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-CsOsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-CdsOsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)OsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cd)OsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)OsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)OsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)OsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)OsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtOsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-CbOsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-OsOsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Os 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-COsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-CsOsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsOsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)OsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)OsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)OsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)OsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)OsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)OsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtOsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-CbOsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-COsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 Os 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CsOsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Os 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsOsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Os 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CtOsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Os 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CbOsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Os 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-COsOsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CsOsOsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CCOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-CsCsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsCsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)CsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)CsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CdsCdsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-CtCdsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)CtOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)CtOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CtOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CtOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCdsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)CbOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)CbOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CbOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCtOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCbOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-COsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CsOsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsOsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)OsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)OsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)OsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)OsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)OsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)OsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtOsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CbOsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cb-Ss - 1 * Cb 0 {2,S} - 2 Ss 0 {1,S} - - Cb-C=S - 1 * Cb 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Sd 0 {2,D} - - Cb-(Cds-Cdd-Sd) - 1 * Cb 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Cdd 0 {2,D} {4,D} - 4 Sd 0 {3,D} - - Ct-Ss - 1 * Ct 0 {2,S} - 2 Ss 0 {1,S} - - Ct-C=S - 1 * Ct 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Sd 0 {2,D} - - Ct-(Cds-Cdd-Sd) - 1 * Ct 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Cdd 0 {2,D} {4,D} - 4 Sd 0 {3,D} - - Cdd-SdSd - 1 * Cdd 0 {2,D} {3,D} - 2 Sd 0 {1,D} - 3 Sd 0 {1,D} - - Cdd-CdSd - 1 * Cdd 0 {2,D} {3,D} - 2 C 0 {1,D} - 3 Sd 0 {1,D} - - Cdd-CdsSd - 1 * Cdd 0 {2,D} {3,D} - 2 Cd 0 {1,D} - 3 Sd 0 {1,D} - - Cdd-CddSd - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} - 3 Sd 0 {1,D} - - Cdd-(Cdd-Cd)Sd - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Sd 0 {1,D} - 4 C 0 {2,D} - - Cdd-(Cdd-Sd)Sd - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Sd 0 {1,D} - 4 Sd 0 {2,D} - - Cdd-(Cdd-Sd)(Cdd-Sd) - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Cdd 0 {1,D} {5,D} - 4 Sd 0 {2,D} - 5 Sd 0 {3,D} - - Cdd-(Cdd-Sd)(Cdd-Cd) - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Cdd 0 {1,D} {5,D} - 4 Sd 0 {2,D} - 5 C 0 {3,D} - - Cdd-(Cdd-Sd)Cds - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Cd 0 {1,D} - 4 Sd 0 {2,D} - - C=S-HH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - - C=S-SsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - - C=S-SsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - - C=S-CH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 C 0 {1,S} - 4 H 0 {1,S} - - C=S-CsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - - C=S-CdsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} - 4 H 0 {1,S} - - C=S-C=SH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Sd 0 {3,D} - - C=S-(Cds-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} - 4 H 0 {1,S} - - C=S-(Cds-Cds)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cd 0 {3,D} - - C=S-(Cds-Cdd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cdd 0 {3,D} - - C=S-(Cds-Cdd-Sd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Sd 0 {5,D} - - C=S-(Cds-Cdd-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - C=S-CtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - - C=S-CbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - - C=S-CSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 C 0 {1,S} - 4 Ss 0 {1,S} - - C=S-CsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - - C=S-CdsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - - C=S-C=SSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ss 0 {1,S} - 5 Sd 0 {3,D} - - C=S-(Cds-Cd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - - C=S-(Cds-Cds)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ss 0 {1,S} - 5 Cd 0 {3,D} - - C=S-(Cds-Cdd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ss 0 {1,S} - 5 Cdd 0 {3,D} - - C=S-(Cds-Cdd-Sd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ss 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Sd 0 {5,D} - - C=S-(Cds-Cdd-Cd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ss 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - C=S-CtSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - - C=S-CbSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - - C=S-CC - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 C 0 {1,S} - 4 C 0 {1,S} - - C=S-CsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - - C=S-CdsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - - C=S-C=SCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Sd 0 {3,D} - - C=S-(Cds-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - - C=S-(Cds-Cds)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cd 0 {3,D} - - C=S-(Cds-Cdd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cdd 0 {3,D} - - C=S-(Cds-Cdd-Sd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Sd 0 {5,D} - - C=S-(Cds-Cdd-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - C=S-CdsCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - - C=S-C=SC=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Sd 0 {3,D} - 6 Sd 0 {4,D} - - C=S-(Cds-Cd)C=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Sd 0 {4,D} - - C=S-(Cds-Cds)C=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {3,D} - 6 Sd 0 {4,D} - - C=S-(Cds-Cdd)C=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} - 6 Sd 0 {4,D} - - C=S-(Cds-Cdd-Sd)C=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {7,D} - 5 Cdd 0 {3,D} {6,D} - 6 Sd 0 {5,D} - 7 Sd 0 {4,D} - - C=S-(Cds-Cdd-Cd)C=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {7,D} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - 7 Sd 0 {4,D} - - C=S-(Cds-Cd)(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - - C=S-(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {3,D} - 6 Cd 0 {4,D} - - C=S-(Cds-Cdd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} - 6 Cd 0 {4,D} - - C=S-(Cds-Cdd-Sd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cd 0 {4,D} - 7 Sd 0 {5,D} - - C=S-(Cds-Cdd-Cd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cd 0 {4,D} - 7 C 0 {5,D} - - C=S-(Cds-Cdd)(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} - 6 Cdd 0 {4,D} - - C=S-(Cds-Cdd-Sd)(Cds-Cdd-Sd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Sd 0 {5,D} - 8 Sd 0 {6,D} - - C=S-(Cds-Cdd-Cd)(Cds-Cdd-Sd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 C 0 {5,D} - 8 Sd 0 {6,D} - - C=S-(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 C 0 {5,D} - 8 C 0 {6,D} - - C=S-CtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - - C=S-CtCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} - - C=S-CtC=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Sd 0 {4,D} - - C=S-Ct(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} - - C=S-Ct(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cd 0 {4,D} - - C=S-Ct(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} - - C=S-Ct(Cds-Cdd-Sd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 Sd 0 {5,D} - - C=S-Ct(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 C 0 {5,D} - - C=S-CtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - - C=S-CbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - - C=S-CbCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} - - C=S-CbC=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Sd 0 {4,D} - - C=S-Cb(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} - - C=S-Cb(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cd 0 {4,D} - - C=S-Cb(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} - - C=S-Cb(Cds-Cdd-Sd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 Sd 0 {5,D} - - C=S-Cb(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 C 0 {5,D} - - C=S-CbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - - C=S-CbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - - Cds-(Cdd-Sd)HH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - - Cds-CdSsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - - Cds-CdsSsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - - Cds-CddSsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - - Cds-(Cdd-Sd)SsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Cd)SsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - - Cds-CdSsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - - Cds-CdsSsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - - Cds-CddSsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - - Cds-(Cdd-Sd)SsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Cd)SsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 C 0 {2,D} - - Cds-CdsC=SH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Sd 0 {3,D} - - Cds-Cds(Cds-Cdd-Sd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Sd 0 {5,D} - - Cds-(Cdd-Sd)CsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)C=SH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - 6 Sd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)(Cds-Cds)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cdd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Sd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)C=SH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 Sd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Sd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - - Cds-(Cdd-Sd)CtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)CbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - - Cds-CdCS - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 C 0 {1,S} - 4 S 0 {1,S} - - Cds-CdsCsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - - Cds-CdsCdsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - - Cds-CdsC=SSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ss 0 {1,S} - 5 Sd 0 {3,D} - - Cds-Cds(Cds-Cd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - - Cds-Cds(Cds-Cds)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ss 0 {1,S} - 5 Cd 0 {3,D} - - Cds-Cds(Cds-Cdd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ss 0 {1,S} - 5 Cdd 0 {3,D} - - Cds-Cds(Cds-Cdd-Sd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ss 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Sd 0 {5,D} - - Cds-Cds(Cds-Cdd-Cd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ss 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - Cds-CdsCtSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - - Cds-CdsCbSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - - Cds-CddCsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - - Cds-(Cdd-Sd)CsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Cd)CsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCdsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - - Cds-(Cdd-Sd)C=SSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 Sd 0 {2,D} - 6 Sd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)(Cds-Cds)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 Sd 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cdd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Sd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Cd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 C 0 {2,D} - - Cds-(Cdd-Cd)(Cds-Cds)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 C 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Sd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-CddCtSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - - Cds-(Cdd-Sd)CtSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Cd)CtSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCbSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - - Cds-(Cdd-Sd)CbSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Cd)CbSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 C 0 {2,D} - - Cds-CdsC=SCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Sd 0 {3,D} - - Cds-Cds(Cds-Cdd-Sd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Sd 0 {5,D} - - Cds-CdsC=SC=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Sd 0 {3,D} - 6 Sd 0 {4,D} - - Cds-CdsC=S(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} - 5 Sd 0 {3,D} - - Cds-CdsC=S(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {5,D} - 5 Cd 0 {4,D} - 6 Sd 0 {3,D} - - Cds-CdsC=S(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} - 6 Sd 0 {3,D} - - Cds-CdsC=S(Cds-Cdd-Sd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 Sd 0 {5,D} - 7 Sd 0 {3,D} - - Cds-CdsC=S(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 C 0 {5,D} - 7 Sd 0 {3,D} - - Cds-Cds(Cds-Cds)(Cds-Cdd-Sd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {3,D} - 6 Cdd 0 {4,D} {7,D} - 7 Sd 0 {6,D} - - Cds-Cds(Cds-Cdd-Sd)(Cds-Cdd-Sd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Sd 0 {5,D} - 8 Sd 0 {6,D} - - Cds-Cds(Cds-Cdd-Sd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Sd 0 {5,D} - 8 C 0 {6,D} - - Cds-CdsCtC=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Sd 0 {4,D} - - Cds-Cds(Cds-Cdd-Sd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ct 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Sd 0 {5,D} - - Cds-CdsCbC=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Sd 0 {4,D} - - Cds-Cds(Cds-Cdd-Sd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cb 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Sd 0 {5,D} - - Cds-(Cdd-Sd)CsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)C=SCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Sd 0 {2,D} - 6 Sd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)(Cds-Cds)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Sd 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cdd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Sd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Sd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - - Cds-(Cdd-Sd)C=SC=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Sd 0 {3,D} - 7 Sd 0 {4,D} - - Cds-(Cdd-Sd)(Cds-Cd)C=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Sd 0 {2,D} - 6 Sd 0 {4,D} - - Cds-(Cdd-Sd)(Cds-Cds)C=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Cd 0 {3,D} - 7 Sd 0 {4,D} - - Cds-(Cdd-Sd)(Cds-Cdd)C=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} - 7 Sd 0 {4,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Sd)C=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {8,D} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {4,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Cd)C=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {8,D} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {4,D} - - Cds-(Cdd-Sd)(Cds-Cd)(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - - Cds-(Cdd-Sd)(Cds-Cdd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Sd 0 {6,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - - Cds-(Cdd-Sd)(Cds-Cdd)(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cds-(Cdd-Cd)C=SC=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Sd 0 {3,D} - 7 Sd 0 {4,D} - - Cds-(Cdd-Cd)C=S(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} - 5 C 0 {2,D} - 6 Sd 0 {3,D} - - Cds-(Cdd-Cd)C=S(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {6,D} - 5 C 0 {2,D} - 6 Cd 0 {4,D} - 7 Sd 0 {3,D} - - Cds-(Cdd-Cd)C=S(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {6,D} - 5 C 0 {2,D} - 6 Cdd 0 {4,D} - 7 Sd 0 {3,D} - - Cds-(Cdd-Cd)C=S(Cds-Cdd-Sd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 C 0 {2,D} - 6 Cdd 0 {4,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {3,D} - - Cds-(Cdd-Cd)C=S(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 C 0 {2,D} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Sd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Sd 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Sd)(Cds-Cdd-Sd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Sd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cds-(Cdd-Sd)CtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)C=SCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Sd 0 {2,D} - 6 Sd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)(Cds-Cds)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Sd 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cdd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Sd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Sd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - - Cds-(Cdd-Sd)CtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)CbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)C=SCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Sd 0 {2,D} - 6 Sd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)(Cds-Cds)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Sd 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cdd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Sd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Sd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - - Cds-(Cdd-Sd)CbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)CbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Sd 0 {2,D} - - Cs-C=SHHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)HHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-SsHHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ss 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-SsSsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ss 0 {1,S} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-SsSsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ss 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-C=SCsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SC=SHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-C=SCtHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CtHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SCbHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SCsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SC=SCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-C=SCtCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CtCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SCbCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SC=SC=SH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - 8 Sd 0 {4,D} - - Cs-C=SC=S(Cds-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cd 0 {4,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Sd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)(Cds-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Sd 0 {6,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cdd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 Sd 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Sd 0 {7,D} - 10 Sd 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Sd 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 Sd 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-C=SC=SCtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-C=SC=SCbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCtC=SH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Sd 0 {4,D} - - Cs-CtCt(Cds-Cdd-Sd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Sd 0 {6,D} - - Cs-CbCtC=SH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Sd 0 {4,D} - - Cs-CbCt(Cds-Cdd-Sd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Sd 0 {6,D} - - Cs-CbCbC=SH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Sd 0 {4,D} - - Cs-CbCb(Cds-Cdd-Sd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SCsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SC=SCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-C=SCtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SCbCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SC=SC=SCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - 8 Sd 0 {4,D} - - Cs-C=SC=S(Cds-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 Cs 0 {1,S} - 6 Cd 0 {4,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {4,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Sd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)(Cds-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Sd 0 {6,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cdd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 Sd 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Sd 0 {7,D} - 10 Sd 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Sd 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 Sd 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-C=SC=SCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-C=SC=SCbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-C=SCtCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CtCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SCbCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SCbCbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbCbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SC=SC=SC=S - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - 8 Sd 0 {4,D} - 9 Sd 0 {5,D} - - Cs-C=SC=SC=S(Cds-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - 8 Sd 0 {4,D} - - Cs-C=SC=SC=S(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {9,D} - 5 Cd 0 {1,S} {6,D} - 6 Cd 0 {5,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - 9 Sd 0 {4,D} - - Cs-C=SC=SC=S(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {9,D} - 5 Cd 0 {1,S} {6,D} - 6 Cdd 0 {5,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - 9 Sd 0 {4,D} - - Cs-C=SC=SC=S(Cds-Cdd-Sd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {10,D} - 5 Cd 0 {1,S} {6,D} - 6 Cdd 0 {5,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - 10 Sd 0 {4,D} - - Cs-C=SC=SC=S(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {10,D} - 5 Cd 0 {1,S} {6,D} - 6 Cdd 0 {5,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - 10 Sd 0 {4,D} - - Cs-C=SC=S(Cds-Cd)(Cds-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} - 5 Cd 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cds)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cd 0 {4,D} - 7 Cd 0 {5,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} - 7 Cd 0 {5,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Sd)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {10,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Cd 0 {5,D} - 8 Sd 0 {6,D} - 9 Sd 0 {2,D} - 10 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Cd)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {10,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Cd 0 {5,D} - 8 C 0 {6,D} - 9 Sd 0 {2,D} - 10 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} - 7 Cdd 0 {5,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Sd)(Cds-Cdd-Sd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {11,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Cdd 0 {5,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - 10 Sd 0 {2,D} - 11 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Sd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {11,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Cdd 0 {5,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - 11 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {11,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Cdd 0 {5,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - 11 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)(Cds-Cd)(Cds-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Cd 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cds)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Cd 0 {5,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cds)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Cdd 0 {5,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Cdd 0 {5,D} {9,D} - 9 Sd 0 {8,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Cdd 0 {5,D} {9,D} - 9 C 0 {8,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cdd)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cdd 0 {4,D} - 8 Cdd 0 {5,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {11,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cdd 0 {4,D} {9,D} - 8 Cdd 0 {5,D} {10,D} - 9 Sd 0 {7,D} - 10 Sd 0 {8,D} - 11 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {11,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cdd 0 {4,D} {9,D} - 8 Cdd 0 {5,D} {10,D} - 9 Sd 0 {7,D} - 10 C 0 {8,D} - 11 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {11,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cdd 0 {4,D} {9,D} - 8 Cdd 0 {5,D} {10,D} - 9 C 0 {7,D} - 10 C 0 {8,D} - 11 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - 8 Cdd 0 {5,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {12,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cdd 0 {3,D} {9,D} - 7 Cdd 0 {4,D} {10,D} - 8 Cdd 0 {5,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 Sd 0 {8,D} - 12 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {12,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cdd 0 {3,D} {9,D} - 7 Cdd 0 {4,D} {10,D} - 8 Cdd 0 {5,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 C 0 {8,D} - 12 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {12,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cdd 0 {3,D} {9,D} - 7 Cdd 0 {4,D} {10,D} - 8 Cdd 0 {5,D} {11,D} - 9 Sd 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - 12 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {12,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cdd 0 {3,D} {9,D} - 7 Cdd 0 {4,D} {10,D} - 8 Cdd 0 {5,D} {11,D} - 9 C 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - 12 Sd 0 {2,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - 9 Cdd 0 {5,D} {10,D} - 10 Sd 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {10,D} - 9 Cdd 0 {5,D} {11,D} - 10 Sd 0 {8,D} - 11 Sd 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {10,D} - 9 Cdd 0 {5,D} {11,D} - 10 Sd 0 {8,D} - 11 C 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Cdd 0 {5,D} {12,D} - 10 Sd 0 {7,D} - 11 Sd 0 {8,D} - 12 Sd 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Cdd 0 {5,D} {12,D} - 10 Sd 0 {7,D} - 11 Sd 0 {8,D} - 12 C 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Cdd 0 {5,D} {12,D} - 10 Sd 0 {7,D} - 11 C 0 {8,D} - 12 C 0 {9,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cdd 0 {2,D} {10,D} - 7 Cdd 0 {3,D} {11,D} - 8 Cdd 0 {4,D} {12,D} - 9 Cdd 0 {5,D} {13,D} - 10 Sd 0 {6,D} - 11 Sd 0 {7,D} - 12 Sd 0 {8,D} - 13 Sd 0 {9,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cdd 0 {2,D} {10,D} - 7 Cdd 0 {3,D} {11,D} - 8 Cdd 0 {4,D} {12,D} - 9 Cdd 0 {5,D} {13,D} - 10 Sd 0 {6,D} - 11 Sd 0 {7,D} - 12 Sd 0 {8,D} - 13 C 0 {9,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cdd 0 {2,D} {10,D} - 7 Cdd 0 {3,D} {11,D} - 8 Cdd 0 {4,D} {12,D} - 9 Cdd 0 {5,D} {13,D} - 10 Sd 0 {6,D} - 11 Sd 0 {7,D} - 12 C 0 {8,D} - 13 C 0 {9,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cdd 0 {2,D} {10,D} - 7 Cdd 0 {3,D} {11,D} - 8 Cdd 0 {4,D} {12,D} - 9 Cdd 0 {5,D} {13,D} - 10 Sd 0 {6,D} - 11 C 0 {7,D} - 12 C 0 {8,D} - 13 C 0 {9,D} - - Cs-C=SC=SC=SCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - 8 Sd 0 {4,D} - - Cs-C=SC=S(Cds-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} - 5 Ct 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 Ct 0 {1,S} - 6 Cd 0 {4,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {4,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Sd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)(Cds-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Ct 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Sd 0 {6,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cdd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 Sd 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Sd 0 {7,D} - 10 Sd 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Sd 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 Sd 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-C=SC=SC=SCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - 8 Sd 0 {4,D} - - Cs-C=SC=S(Cds-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} - 5 Cb 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 Cb 0 {1,S} - 6 Cd 0 {4,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {4,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Sd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)(Cds-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Cb 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Sd 0 {6,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cdd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 Sd 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Sd 0 {7,D} - 10 Sd 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Sd 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 Sd 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-C=SC=SCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-C=SC=SCbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-C=SC=SCbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-C=SCtCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CtCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SCbCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SCbCbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbCbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SCbCbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbCbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-CCCSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 C 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CsCsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CdsCsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SCsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)CsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-SsCtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ss 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CbCsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CdsCdsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SC=SCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cd)(Cds-Cd)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCdsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SCtCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CtCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)CtCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CtCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCdsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SCbCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CbCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)CbCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CbCtCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CbCbCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CdsCdsCdsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SC=SC=SSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - 8 Sd 0 {4,D} - - Cs-C=SC=S(Cds-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cds)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 Ss 0 {1,S} - 6 Cd 0 {4,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {4,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Sd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)(Cds-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cds)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ss 0 {1,S} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cds)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cds)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Sd 0 {6,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cds)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cdd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 Sd 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Sd 0 {7,D} - 10 Sd 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Sd 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 C 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 Sd 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 C 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-CtCdsCdsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SC=SCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cd)(Cds-Cd)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CbCdsCdsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SC=SCbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cd)(Cds-Cd)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCtCdsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SCtCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CtCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)CtCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CtCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCtCdsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SCbCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CbCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)CbCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCbCdsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SCbCbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CbCbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)CbCbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbCbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CbCtCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CbCbCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CbCbCbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CCSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CsCsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CdsCsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SCsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)CsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CdsCdsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SC=SSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cd)(Cds-Cd)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CtCdsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SCtSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CtSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)CtSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CtSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CbCsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CbCdsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SCbSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CbSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)CbSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCtSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CbCbSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CSsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CsSsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CdsSsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SSsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)SsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)SsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)SsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)SsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)SsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtSsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CbSsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-SsSsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ss 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CSsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CsSsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsSsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-C=SSsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)SsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)SsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)SsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)SsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)SsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtSsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CbSsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CCSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CsCsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsCsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-C=SCsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CdsCdsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-C=SC=SSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cd)(Cds-Cd)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CtCdsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-C=SCtSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CtSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CtSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CtSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCdsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-C=SCbSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CbSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CbSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCtSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCbSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CSsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CsSsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsSsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-C=SSsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)SsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)SsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)SsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)SsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)SsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtSsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CbSsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - -////////////////////////////////////////////////////////////////// -// Oxygen adjacency List -////////////////////////////////////////////////////////////////// - - O // L1 Node - 1 * O 0 - - Od // L2 Node - 1 * Od 0 - - Od-Cd // This group is not defined here. C should be the central atom. - 1 * Od 0 {2,D} - 2 {Cd,CO} 0 {1,D} - - Od-Od - 1 * Od 0 {2,D} - 2 Od 0 {1,D} - - Os // L2 Node - 1 * Os 0 - - Os-HH - 1 * Os 0 {2,S} {3,S} - 2 H 0 {1,S} - 3 H 0 {1,S} - - Os-OsH - 1 * Os 0 {2,S} {3,S} - 2 Os 0 {1,S} - 3 H 0 {1,S} - - Os-OsOs - 1 * Os 0 {2,S} {3,S} - 2 Os 0 {1,S} - 3 Os 0 {1,S} - - Os-CH - 1 * Os 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 H 0 {1,S} - - Os-CtH - 1 * Os 0 {2,S} {3,S} - 2 Ct 0 {1,S} - 3 H 0 {1,S} - - Os-CdsH - 1 * Os 0 {2,S} {3,S} - 2 {Cd,CO} 0 {1,S} - 3 H 0 {1,S} - - Os-(Cds-Od)H - 1 * Os 0 {2,S} {3,S} - 2 CO 0 {1,S} - 3 H 0 {1,S} - - Os-(Cds-Cd)H - 1 * Os 0 {2,S} {3,S} - 2 Cd 0 {1,S} - 3 H 0 {1,S} - - Os-CsH - 1 * Os 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 H 0 {1,S} - - Os-CbH - 1 * Os 0 {2,S} {3,S} - 2 Cb 0 {1,S} - 3 H 0 {1,S} - - Os-OsC - 1 * Os 0 {2,S} {3,S} - 2 Os 0 {1,S} - 3 C 0 {1,S} - - Os-OsCt - 1 * Os 0 {2,S} {3,S} - 2 Os 0 {1,S} - 3 Ct 0 {1,S} - - Os-OsCds - 1 * Os 0 {2,S} {3,S} - 2 Os 0 {1,S} - 3 {Cd,CO} 0 {1,S} - - Os-Os(Cds-Od) - 1 * Os 0 {2,S} {3,S} - 2 Os 0 {1,S} - 3 CO 0 {1,S} - - Os-Os(Cds-Cd) - 1 * Os 0 {2,S} {3,S} - 2 Os 0 {1,S} - 3 Cd 0 {1,S} - - Os-OsCs - 1 * Os 0 {2,S} {3,S} - 2 Os 0 {1,S} - 3 Cs 0 {1,S} - - Os-OsCb - 1 * Os 0 {2,S} {3,S} - 2 Os 0 {1,S} - 3 Cb 0 {1,S} - - Os-CC - 1 * Os 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - - Os-CtCt - 1 * Os 0 {2,S} {3,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - - Os-CtCds - 1 * Os 0 {2,S} {3,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - - Os-Ct(Cds-Od) - 1 * Os 0 {2,S} {3,S} - 2 Ct 0 {1,S} - 3 CO 0 {1,S} - - Os-Ct(Cds-Cd) - 1 * Os 0 {2,S} {3,S} - 2 Ct 0 {1,S} - 3 Cd 0 {1,S} - - Os-CtCs - 1 * Os 0 {2,S} {3,S} - 2 Ct 0 {1,S} - 3 Cs 0 {1,S} - - Os-CtCb - 1 * Os 0 {2,S} {3,S} - 2 Ct 0 {1,S} - 3 Cb 0 {1,S} - - Os-CdsCds - 1 * Os 0 {2,S} {3,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - - Os-(Cds-Od)(Cds-Od) - 1 * Os 0 {2,S} {3,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - - Os-(Cds-Od)(Cds-Cd) - 1 * Os 0 {2,S} {3,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - - Os-(Cds-Cd)(Cds-Cd) - 1 * Os 0 {2,S} {3,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - - Os-CdsCs - 1 * Os 0 {2,S} {3,S} - 2 {Cd,CO} 0 {1,S} - 3 Cs 0 {1,S} - - Os-Cs(Cds-Od) - 1 * Os 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 CO 0 {1,S} - - Os-Cs(Cds-Cd) - 1 * Os 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 Cd 0 {1,S} - - Os-CdsCb - 1 * Os 0 {2,S} {3,S} - 2 {Cd,CO} 0 {1,S} - 3 Cb 0 {1,S} - - Os-Cb(Cds-Od) - 1 * Os 0 {2,S} {3,S} - 2 Cb 0 {1,S} - 3 CO 0 {1,S} - - Os-Cb(Cds-Cd) - 1 * Os 0 {2,S} {3,S} - 2 Cb 0 {1,S} - 3 Cd 0 {1,S} - - Os-CsCs - 1 * Os 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - - Os-CsCb - 1 * Os 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 Cb 0 {1,S} - - Os-CbCb - 1 * Os 0 {2,S} {3,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - - Si - 1 * Si 0 - -////////////////////////////////////////////////////////////////// -// Sulfur adjacency List -////////////////////////////////////////////////////////////////// - - S // L1 Node - 1 * S 0 - - Sd // L2 Node - 1 * Sd 0 - - Sd-Cd // This group is not defined here. C should be the central atom. - 1 * Sd 0 {2,D} - 2 Cd 0 {1,D} - - Sd-Sd - 1 * Sd 0 {2,D} - 2 Sd 0 {1,D} - - Ss // L2 Node - 1 * Ss 0 - - Ss-HH // L3 Node - 1 * Ss 0 {2,S} {3,S} - 2 H 0 {1,S} - 3 H 0 {1,S} - - Ss-CH - 1 * Ss 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 H 0 {1,S} - - Ss-CsH // L4 Node - 1 * Ss 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 H 0 {1,S} - - Ss-CdH - 1 * Ss 0 {2,S} {3,S} - 2 Cd 0 {1,S} - 3 H 0 {1,S} - - Ss-C=SH // L5 Node - 1 * Ss 0 {2,S} {3,S} - 2 Cd 0 {1,S} {4,D} - 3 H 0 {1,S} - 4 Sd 0 {2,D} - - Ss-CtH - 1 * Ss 0 {2,S} {3,S} - 2 Ct 0 {1,S} - 3 H 0 {1,S} - - Ss-CbH - 1 * Ss 0 {2,S} {3,S} - 2 Cb 0 {1,S} - 3 H 0 {1,S} - - Ss-SsH - 1 * Ss 0 {2,S} {3,S} - 2 Ss 0 {1,S} - 3 H 0 {1,S} - - Ss-SsSs - 1 * Ss 0 {2,S} {3,S} - 2 Ss 0 {1,S} - 3 Ss 0 {1,S} - - Ss-SsC // L3 Node - 1 * Ss 0 {2,S} {3,S} - 2 Ss 0 {1,S} - 3 C 0 {1,S} - - Ss-SsCs - 1 * Ss 0 {2,S} {3,S} - 2 Ss 0 {1,S} - 3 Cs 0 {1,S} - - Ss-SsCd - 1 * Ss 0 {2,S} {3,S} - 2 Ss 0 {1,S} - 3 Cd 0 {1,S} - - Ss-C=SSs - 1 * Ss 0 {2,S} {3,S} - 2 Ss 0 {1,S} - 3 Cd 0 {1,S} {4,D} - 4 Sd 0 {3,D} - - Ss-SsCt - 1 * Ss 0 {2,S} {3,S} - 2 Ss 0 {1,S} - 3 Ct 0 {1,S} - - Ss-SsCb - 1 * Ss 0 {2,S} {3,S} - 2 Ss 0 {1,S} - 3 Cb 0 {1,S} - - Ss-CC - 1 * Ss 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - - Ss-CsCs - 1 * Ss 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - - Ss-CsCd - 1 * Ss 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 Cd 0 {1,S} - - Ss-C=SCs - 1 * Ss 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 Cd 0 {1,S} {4,D} - 4 Sd 0 {3,D} - - Ss-CsCt - 1 * Ss 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 Ct 0 {1,S} - - Ss-CsCb - 1 * Ss 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 Cb 0 {1,S} - - Ss-CdCd - 1 * Ss 0 {2,S} {3,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - - Ss-C=SCd - 1 * Ss 0 {2,S} {3,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} {4,D} - 4 Sd 0 {3,D} - - Ss-C=SC=S - 1 * Ss 0 {2,S} {3,S} - 2 Cd 0 {1,S} {4,D} - 3 Cd 0 {1,S} {5,D} - 4 Sd 0 {2,D} - 5 Sd 0 {3,D} - - Ss-CdCt - 1 * Ss 0 {2,S} {3,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - - Ss-C=SCt - 1 * Ss 0 {2,S} {3,S} - 2 Cd 0 {1,S} {4,D} - 3 Ct 0 {1,S} - 4 Sd 0 {2,D} - - Ss-CdCb - 1 * Ss 0 {2,S} {3,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - - Ss-C=SCb - 1 * Ss 0 {2,S} {3,S} - 2 Cd 0 {1,S} {4,D} - 3 Cb 0 {1,S} - 4 Sd 0 {2,D} - - Ss-CtCt - 1 * Ss 0 {2,S} {3,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - - Ss-CtCb - 1 * Ss 0 {2,S} {3,S} - 2 Ct 0 {1,S} - 3 Cb 0 {1,S} - - Ss-CbCb - 1 * Ss 0 {2,S} {3,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - - -CO-SsH -1 * C 0 {2,D} {3,S} {4,S} -2 Od 0 {1,D} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CO-CsSs -1 * C 0 {2,D} {3,S} {4,S} -2 Od 0 {1,D} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -CS-OsH -1 * C 0 {2,D} {3,S} {4,S} -2 Sd 0 {1,D} -3 Os 0 {1,S} -4 H 0 {1,S} - -CS-CsOs -1 * C 0 {2,D} {3,S} {4,S} -2 Sd 0 {1,D} -3 Os 0 {1,S} -4 Cs 0 {1,S} - -Os-CSH -1 * O 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} -3 H 0 {1,S} -4 Sd 0 {2,D} - -Ss-COH -1 * S 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} -3 H 0 {1,S} -4 Od 0 {2,D} diff --git a/output/RMG_database/thermo_groups/Group_Library.txt b/output/RMG_database/thermo_groups/Group_Library.txt deleted file mode 100644 index ec68013422..0000000000 --- a/output/RMG_database/thermo_groups/Group_Library.txt +++ /dev/null @@ -1,1234 +0,0 @@ -//# Group H S Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 dH dS dCp Note -// unit -// H: kcal/mole -// S and Cp: cal/mole/K - -1 C Cs-CsCsCsCs -2 Cbf Cbf-CbCbCbf -3 Cbf-CbCbCbf 4.80 -5.0 3.01 3.68 4.2 4.61 5.2 5.7 6.2 0.17 0.1 0.1 "Cbf-CbfCbCb STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -4 Cbf-CbCbfCbf 3.70 -5.0 3.01 3.68 4.2 4.61 5.2 5.7 6.2 0.3 0.15 0.15 "Cbf-CbfCbfCb STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -5 Cbf-CbfCbfCbf 1.5 1.8 2.0 3.11 3.9 4.42 5.0 5.3 5.7 0.3 0.15 0.15 "Cbf-CbfCbfCbf STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -6 Cb Cb-Cs -7 Cb-H 3.30 11.53 3.24 4.44 5.46 6.3 7.54 8.41 9.73 0.11 0.12 0.1 Cb-H BENSON -8 Cb-Os -0.9 -10.2 3.9 5.3 6.2 6.6 6.9 6.9 7.07 0.16 0.1 0.1 Cb-O BENSON Cp1500=3D Cp1000*(Cp1500/Cp1000: Cb/Cd) -9 Cb-C Cb-Cs -10 Cb-Cs 5.51 -7.69 2.67 3.14 3.68 4.15 4.96 5.44 5.98 0.13 0.1 0.07 Cb-Cs BENSON -11 Cb-Cds Cb-(Cds-Cds) -12 Cb-(Cds-Od) 3.69 -7.8 3.59 3.97 4.38 4.72 5.28 5.61 5.75 0.2 0.1 0.1 "Enthalpy from Cb-CO, entropies and heat capacities assigned value of Cb-Cd" -13 Cb-(Cds-Cd) Cb-(Cds-Cds) -14 Cb-(Cds-Cds) 5.69 -7.8 3.59 3.97 4.38 4.72 5.28 5.61 5.75 0.2 0.1 0.1 "Cb-Cd STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -15 Cb-(Cds-Cdd) Cb-(Cds-Cdd-Cd) -16 Cb-(Cds-Cdd-Od) Cb-(Cds-Cds) -17 Cb-(Cds-Cdd-Cd) Cb-(Cds-Cds) -18 Cb-Ct 5.69 -7.8 3.59 3.97 4.38 4.72 5.28 5.61 5.75 0.3 0.15 0.15 "Cb-Ct STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -19 Cb-Cb 4.96 -8.64 3.33 4.22 4.89 5.27 5.76 5.95 6.05 0.3 0.15 0.15 Cb-Cb BENSON -20 Ct Ct-Cs -21 Ct-H 26.93 24.7 5.28 5.99 6.49 6.87 7.47 7.96 8.85 0.05 0.07 0.07 "Ct-H STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -22 Ct-Os 31.40 4.91 3.64 4.39 4.85 5.63 5.66 5.73 5.73 0.27 0.09 0.1 Ct-O MELIUS / hc#coh !!!WARNING! Cp1500 value taken as Cp1000 -23 Ct-C Ct-Cs -24 Ct-Cs 27.55 6.35 3.13 3.48 3.81 4.09 4.6 4.92 6.35 0.27 0.09 0.1 "Ct-Cs STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -25 Ct-Cds Ct-(Cds-Cds) -26 Ct-(Cds-Od) Ct-Cs -27 Ct-(Cds-Cd) Ct-(Cds-Cds) -28 Ct-(Cds-Cds) 28.20 6.43 2.57 3.54 3.5 4.92 5.34 5.5 5.8 0.27 0.09 0.1 "Ct-Cd STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -29 Ct-(Cds-Cdd) Ct-(Cds-Cdd-Cd) -30 Ct-(Cds-Cdd-Od) Ct-(Cds-Cds) -31 Ct-(Cds-Cdd-Cd) Ct-(Cds-Cds) -32 Ct-Ct 25.60 5.88 3.54 4.06 4.4 4.64 5 5.23 5.57 0.27 0.09 0.1 "Ct-Ct STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -33 Ct-Cb 24.67 6.43 2.57 3.54 4.5 4.92 5.34 5.5 5.8 0.27 0.09 0.1 "Ct-Cb STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -34 Cdd Cdd-CdsCds -35 Cdd-OdOd -94.05 52.46 8.91 9.86 10.65 11.31 12.32 12.99 13.93 0.03 0.002 0 CHEMKIN DATABASE: S(group) = S(CO2) + Rln(2) -36 Cdd-CdOd Cdd-CdsOd -37 Cdd-CdsOd 0 0 0 0 0 0 0 0 0 0 0 0 "O=C*=C< currently treat the adjacent C as Ck" -38 Cdd-CddOd Cdd-(Cdd-Cd)Od -39 Cdd-(Cdd-Cd)Od Cdd-CdsOd O=C*=C= currently not defined. Assigned same value as Ca -40 Cdd-(Cdd-Od)Od Cdd-CdsOd -41 Cdd-CdCd Cdd-CdsCds -42 Cdd-CddCdd Cdd-(Cdd-Cd)(Cdd-Cd) -43 Cdd-(Cdd-Od)(Cdd-Od) Cdd-CdsCds "O=C=C*=C=O, currently not defined. Assigned same value as Ca" -44 Cdd-(Cdd-Od)(Cdd-Cd) Cdd-(Cdd-Od)Cds "O=C=C*=C=C, currently not defined. Assigned same value as Ca" -45 Cdd-(Cdd-Cd)(Cdd-Cd) Cdd-CdsCds "C=C=C*=C=C, currently not defined. Assigned same value as Ca" -46 Cdd-CddCds Cdd-(Cdd-Cd)(Cdd-Cd) -47 Cdd-(Cdd-Od)Cds Cdd-CdsCds "O=C=C*=C<, currently not defined. Assigned same value as Ca " -48 Cdd-(Cdd-Cd)Cds Cdd-CdsCds "C=C=C*=C<, currently not defined. Assigned same value as Ca " -49 Cdd-CdsCds 34.20 6.0 3.9 4.4 4.7 5 5.3 5.5 5.7 0.2 0.1 0.1 "Benson's Ca " -50 Cds Cds-CdsCsCs -51 Cds-OdHH -25.95 53.68 8.47 9.38 10.46 11.52 13.37 14.81 14.81 0.11 0.06 0.06 CO-HH BENSON !!!WARNING! Cp1500 value taken as Cp1000, S(group) = S(CH2O) + Rln(2) -52 Cds-OdOsH -32.1 34.9 7.03 7.87 8.82 9.68 11.2 12.2 12.2 0.3 0.15 0.15 CO-OH BENSON !!!WARNING! Cp1500 value taken as Cp1000 -53 Cds-OdOsOs -31.45 10.78 5.97 6.7 7.4 8.02 8.87 9.36 9.36 0.3 0.15 0.15 "CO-OO BOZZELLI 8/91, S CO/C/O, Hf PEDLEY ccoc*oocc Bsn Hf-24 !!!WARNING! Cp1500 value taken as Cp1000" -54 Cds-OdCH Cds-OdCsH -55 Cds-OdCsH -29.1 34.9 7.03 7.87 8.82 9.68 11.2 12.2 12.2 0.3 0.15 0.15 CO-CsH BENSON !!!WARNING! Cp1500 value taken as Cp1000 -56 Cds-OdCdsH Cds-Od(Cds-Cds)H -57 Cds-Od(Cds-Od)H -25.3 33.4 7.45 8.77 9.82 10.7 12.14 12.9 12.9 0.3 0.15 0.15 "CO-COH Hf BENSON S,Cp =3D CO/Cs/H-del(Cd/Cd/H-Cd/Cs/H) !!!WARNING! Cp1500 value taken as Cp1000" -58 Cds-Od(Cds-Cd)H Cds-Od(Cds-Cds)H -59 Cds-Od(Cds-Cds)H -30.9 33.4 7.45 8.77 9.82 10.7 12.14 12.9 12.9 0.3 0.15 0.15 "CO-CdH Hf BOZZELLI S,Cp =3D CO/C/H-del(cd syst) !!!WARNING! Cp1500 value taken as Cp1000" -60 Cds-Od(Cds-Cdd)H Cds-Od(Cds-Cdd-Cd)H -61 Cds-Od(Cds-Cdd-Od)H Cds-Od(Cds-Cds)H -62 Cds-Od(Cds-Cdd-Cd)H Cds-Od(Cds-Cds)H -63 Cds-OdCtH Cds-Od(Cds-Cds)H -64 Cds-OdCbH Cds-Od(Cds-Cds)H -65 Cds-OdCOs Cds-OdCsOs -66 Cds-OdCsOs -35.1 10.04 6.1 6.7 7.4 8.02 8.87 9.36 9.36 0.3 0.15 0.15 CO-OCs Hf BENSON S STULL !!!WARNING! Cp1500 value taken as Cp1000 -67 Cds-OdCdsOs Cds-Od(Cds-Cds)Os -68 Cds-Od(Cds-Od)Os -29.3 14.6 5.46 6.32 7.17 7.88 9 9.77 9.77 0.3 0.15 0.15 "CO-OCO Hf,S BOZZELLI Cp BENSON !!!WARNING! Cp1500 value taken as Cp1000" -69 Cds-Od(Cds-Cd)Os Cds-Od(Cds-Cds)Os -70 Cds-Od(Cds-Cds)Os -32.1 14.78 5.97 6.7 7.4 8.02 8.87 9.36 9.36 0.3 0.15 0.15 CO-OCd RPS + S Coreected !!!WARNING! Cp1500 value taken as Cp1000 -71 Cds-Od(Cds-Cdd)Os Cds-Od(Cds-Cdd-Cd)Os -72 Cds-Od(Cds-Cdd-Od)Os Cds-Od(Cds-Cds)Os -73 Cds-Od(Cds-Cdd-Cd)Os Cds-Od(Cds-Cds)Os -74 Cds-OdCtOs Cds-Od(Cds-Cds)Os -75 Cds-OdCbOs -36.6 14.78 5.97 6.7 7.4 8.02 8.87 9.36 9.36 0.3 0.15 0.15 CO-OCb RPS + S Coreected !!!WARNING! Cp1500 value taken as Cp1000 -76 Cds-OdCC Cds-OdCsCs -77 Cds-OdCsCs -31.4 15.01 5.59 6.32 7.09 7.76 8.89 9.61 9.61 0.3 0.15 0.15 CO-CsCs BENSON !!!WARNING! Cp1500 value taken as Cp1000 -78 Cds-OdCdsCs Cds-Od(Cds-Cds)Cs -79 Cds-Od(Cds-Od)Cs -29.1 14.6 5.46 6.32 7.17 7.88 9 9.77 9.77 0.3 0.15 0.15 "CO-COCs Hf,S BOZZELLI Cp BENSON !!!WARNING! Cp1500 value taken as Cp1000" -80 Cds-Od(Cds-Cd)Cs Cds-Od(Cds-Cds)Cs -81 Cds-Od(Cds-Cds)Cs -30.9 14.6 5.46 6.32 7.17 7.88 9 9.77 9.77 0.3 0.15 0.15 "CO-CdCs Hf BENSON =3D CO/Cb/C S,Cp !!!WARNING! Cp1500 value taken as Cp1000" -82 Cds-Od(Cds-Cdd)Cs Cds-Od(Cds-Cdd-Cd)Cs -83 Cds-Od(Cds-Cdd-Od)Cs Cds-Od(Cds-Cds)Cs -84 Cds-Od(Cds-Cdd-Cd)Cs Cds-Od(Cds-Cds)Cs -85 Cds-OdCdsCds Cds-Od(Cds-Cds)(Cds-Cds) -86 Cds-Od(Cds-Od)(Cds-Od) Cds-OdCsCs -87 Cds-Od(Cds-Cd)(Cds-Od) Cds-Od(Cds-Cds)(Cds-Od) -88 Cds-Od(Cds-Cds)(Cds-Od) Cds-Od(Cds-Od)Cs -89 Cds-Od(Cds-Cdd)(Cds-Od) Cds-Od(Cds-Cdd-Cd)(Cds-Od) -90 Cds-Od(Cds-Cdd-Od)(Cds-Od) Cds-Od(Cds-Cdd-Od)Cs -91 Cds-Od(Cds-Cdd-Cd)(Cds-Od) Cds-Od(Cds-Cds)(Cds-Od) -92 Cds-Od(Cds-Cd)(Cds-Cd) Cds-Od(Cds-Cds)(Cds-Cds) -93 Cds-Od(Cds-Cds)(Cds-Cds) -30.9 14.6 5.46 6.32 7.17 7.88 9 9.77 9.77 0.3 0.15 0.15 CO-CdCd Estimate BOZZELLI !!!WARNING! Cp1500 value taken as Cp1000 -94 Cds-Od(Cds-Cdd)(Cds-Cds) Cds-Od(Cds-Cdd-Cd)(Cds-Cds) -95 Cds-Od(Cds-Cdd-Od)(Cds-Cds) Cds-Od(Cds-Cdd-Od)Cs -96 Cds-Od(Cds-Cdd-Cd)(Cds-Cds) Cds-Od(Cds-Cds)(Cds-Cds) -97 Cds-Od(Cds-Cdd)(Cds-Cdd) Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Cd) -98 Cds-Od(Cds-Cdd-Od)(Cds-Cdd-Od) Cds-Od(Cds-Cds)(Cds-Cds) -99 Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Od) Cds-Od(Cds-Cdd-Od)(Cds-Cds) -100 Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cds-Od(Cds-Cds)(Cds-Cds) -101 Cds-OdCtCs Cds-Od(Cds-Cds)Cs -102 Cds-OdCtCds Cds-OdCt(Cds-Cds) -103 Cds-OdCt(Cds-Od) Cds-Od(Cds-Cds)(Cds-Od) -104 Cds-OdCt(Cds-Cd) Cds-OdCt(Cds-Cds) -105 Cds-OdCt(Cds-Cds) Cds-Od(Cds-Cds)(Cds-Cds) -106 Cds-OdCt(Cds-Cdd) Cds-OdCt(Cds-Cdd-Cd) -107 Cds-OdCt(Cds-Cdd-Od) Cds-Od(Cds-Cdd-Od)(Cds-Cds) -108 Cds-OdCt(Cds-Cdd-Cd) Cds-OdCt(Cds-Cds) -109 Cds-OdCtCt Cds-Od(Cds-Cds)(Cds-Cds) -110 Cds-OdCbCs Cds-Od(Cds-Cds)Cs -111 Cds-OdCbCds Cds-OdCb(Cds-Cds) -112 Cds-OdCb(Cds-Od) Cds-Od(Cds-Cds)(Cds-Od) -113 Cds-OdCb(Cds-Cd) Cds-OdCb(Cds-Cds) -114 Cds-OdCb(Cds-Cds) Cds-Od(Cds-Cds)(Cds-Cds) -115 Cds-OdCb(Cds-Cdd) Cds-OdCb(Cds-Cdd-Cd) -116 Cds-OdCb(Cds-Cdd-Od) Cds-Od(Cds-Cdd-Od)(Cds-Cds) -117 Cds-OdCb(Cds-Cdd-Cd) Cds-OdCb(Cds-Cds) -118 Cds-OdCbCt Cds-OdCt(Cds-Cds) -119 Cds-OdCbCb Cds-Od(Cds-Cds)(Cds-Cds) -120 Cds-CdHH Cds-CdsHH -121 Cds-CdsHH 6.26 27.61 5.1 6.36 7.51 8.5 10.07 11.27 13.19 0.19 0.1 0.07 Cd-HH BENSON -122 Cds-CddHH Cds-(Cdd-Cd)HH -123 Cds-(Cdd-Od)HH -11.34 57.47 12.08 13.91 15.40 16.64 18.61 20.10 22.47 0.19 0.1 0.07 {CCO/H2} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -124 Cds-(Cdd-Cd)HH Cds-CdsHH // Cd-CaHH -125 Cds-CdOsH Cds-CdsOsH -126 Cds-CdsOsH 2.03 6.2 4.75 6.46 7.64 8.35 9.1 9.56 10.46 0.19 0.1 0.07 "Cd-OH BOZZELLI Hf vin-oh RADOM + C/Cd/H, S&Cp LAY" -127 Cds-CddOsH Cds-(Cdd-Cd)OsH -128 Cds-(Cdd-Od)OsH 2.110 38.17 11.29 13.67 15.10 16.10 17.36 18.25 19.75 0.19 0.1 0.07 {CCO/O/H} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -129 Cds-(Cdd-Cd)OsH Cds-CdsOsH -130 Cds-CdOsOs Cds-CdsOsOs -131 Cds-CdsOsOs Cds-CdsCsCs -132 Cds-CddOsOs Cds-(Cdd-Cd)OsOs -133 Cds-(Cdd-Od)OsOs 2.403 13.42 11.56 15.58 17.69 18.67 18.78 18.40 18.01 0.19 0.1 0.07 {CCO/O2} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -134 Cds-(Cdd-Cd)OsOs Cds-CdsOsOs -135 Cds-CdCH Cds-CdsCsH -136 Cds-CdsCsH 8.59 7.97 4.16 5.03 5.81 6.5 7.65 8.45 9.62 0.17 0.1 0.06 Cd-CsH BENSON -137 Cds-CdsCdsH Cds-Cds(Cds-Cds)H -138 Cds-Cds(Cds-Od)H 4.32 6.38 4.46 5.79 6.75 7.42 8.35 9.11 10.09 0.2 0.1 0.1 "Cd-COH BOZZELLI lit rev Jul91 S,Cp Cd/Cd/H" -139 Cds-Cds(Cds-Cd)H Cds-Cds(Cds-Cds)H -140 Cds-Cds(Cds-Cds)H 6.78 6.38 4.46 5.79 6.75 7.42 8.35 8.99 9.98 0.2 0.1 0.1 Cd-CdH BENSON -141 Cds-Cds(Cds-Cdd)H Cds-Cds(Cds-Cdd-Cd)H -142 Cds-Cds(Cds-Cdd-Od)H Cds-Cds(Cds-Cds)H -143 Cds-Cds(Cds-Cdd-Cd)H Cds-Cds(Cds-Cds)H -144 Cds-CdsCtH 6.78 6.38 4.46 5.79 6.75 7.42 8.35 8.99 9.98 0.2 0.1 0.1 Cd-CtH BENSON -145 Cds-CdsCbH 6.78 6.38 4.46 5.79 6.75 7.42 8.35 8.99 9.98 0.2 0.1 0.1 Cd-CbH BENSON -146 Cds-CddCsH Cds-(Cdd-Cd)CsH -147 Cds-(Cdd-Od)CsH -4.947 40.04 10.31 11.72 12.94 13.98 15.71 16.95 18.78 0.2 0.1 0.1 {CCO/H/C} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -148 Cds-(Cdd-Cd)CsH Cds-CdsCsH -149 Cds-CddCdsH Cds-(Cdd-Cd)(Cds-Cds)H -150 Cds-(Cdd-Od)(Cds-Od)H Cds-(Cdd-Od)CsH -151 Cds-(Cdd-Od)(Cds-Cd)H Cds-(Cdd-Od)(Cds-Cds)H -152 Cds-(Cdd-Od)(Cds-Cds)H Cds-(Cdd-Od)CsH -153 Cds-(Cdd-Od)(Cds-Cdd)H Cds-(Cdd-Od)(Cds-Cdd-Cd)H -154 Cds-(Cdd-Od)(Cds-Cdd-Od)H -4.998 39.06 10.55 12.41 13.82 14.91 16.51 17.62 19.24 0.2 0.1 0.1 {CCO/H/CCO} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -155 Cds-(Cdd-Od)(Cds-Cdd-Cd)H Cds-(Cdd-Od)(Cds-Cds)H -156 Cds-(Cdd-Cd)(Cds-Od)H Cds-Cds(Cds-Od)H -157 Cds-(Cdd-Cd)(Cds-Cd)H Cds-(Cdd-Cd)(Cds-Cds)H -158 Cds-(Cdd-Cd)(Cds-Cds)H Cds-Cds(Cds-Cds)H -159 Cds-(Cdd-Cd)(Cds-Cdd)H Cds-(Cdd-Cd)(Cds-Cdd-Cd)H -160 Cds-(Cdd-Cd)(Cds-Cdd-Od)H Cds-Cds(Cds-Cdd-Od)H -161 Cds-(Cdd-Cd)(Cds-Cdd-Cd)H Cds-(Cdd-Cd)(Cds-Cds)H -162 Cds-CddCtH Cds-(Cdd-Cd)CtH -163 Cds-(Cdd-Od)CtH Cds-(Cdd-Od)(Cds-Cds)H -164 Cds-(Cdd-Cd)CtH Cds-CdsCtH -165 Cds-CddCbH Cds-(Cdd-Cd)CbH -166 Cds-(Cdd-Od)CbH Cds-(Cdd-Od)(Cds-Cds)H -167 Cds-(Cdd-Cd)CbH Cds-CdsCbH -168 Cds-CdCO Cds-CdsCsOs -169 Cds-CdsCsOs 3.03 -12.32 3.59 4.56 5.04 5.3 5.84 6.07 6.16 0.2 0.1 0.1 Cd-OCs BOZZELLI-RADOM vin-oh and del (ccoh-ccohc) -170 Cds-CdsCdsOs Cds-Cds(Cds-Cds)Os -171 Cds-Cds(Cds-Od)Os 5.13 -14.6 4.4 5.37 5.93 6.18 6.5 6.62 6.72 0.2 0.1 0.1 Cd-OCO adj BENSON for RADOM c*coh -172 Cds-Cds(Cds-Cd)Os Cds-Cds(Cds-Cds)Os -173 Cds-Cds(Cds-Cds)Os 1.5 -14.4 4.4 5.37 5.93 6.18 6.5 6.62 6.72 0.2 0.1 0.1 Cd-OCd jwb need calc -174 Cds-Cds(Cds-Cdd)Os Cds-Cds(Cds-Cdd-Cd)Os -175 Cds-Cds(Cds-Cdd-Od)Os Cds-Cds(Cds-Cds)Os -176 Cds-Cds(Cds-Cdd-Cd)Os Cds-Cds(Cds-Cds)Os -177 Cds-CdsCtOs Cds-Cds(Cds-Cds)Os -178 Cds-CdsCbOs 1.5 -14.4 4.4 5.37 5.93 6.18 6.5 6.62 6.72 0.2 0.1 0.1 Cd-OCb jwb need calc -179 Cds-CddCsOs Cds-(Cdd-Cd)CsOs -180 Cds-(Cdd-Od)CsOs 3.273 18.58 10.91 12.65 13.59 14.22 15.00 15.48 16.28 0.2 0.1 0.1 {CCO/O/C} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -181 Cds-(Cdd-Cd)CsOs Cds-CdsCsOs -182 Cds-CddCdsOs Cds-(Cdd-Cd)(Cds-Cds)Os -183 Cds-(Cdd-Od)(Cds-Od)Os Cds-(Cdd-Od)CsOs -184 Cds-(Cdd-Od)(Cds-Cd)Os Cds-(Cdd-Od)(Cds-Cds)Os -185 Cds-(Cdd-Od)(Cds-Cds)Os Cds-(Cdd-Od)CsOs -186 Cds-(Cdd-Od)(Cds-Cdd)Os Cds-(Cdd-Od)(Cds-Cdd-Cd)Os -187 Cds-(Cdd-Od)(Cds-Cdd-Od)Os 1.607 17.73 11.01 12.97 14.17 14.97 15.80 16.26 16.88 0.2 0.1 0.1 {CCO/O/CCO} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -188 Cds-(Cdd-Od)(Cds-Cdd-Cd)Os Cds-(Cdd-Od)(Cds-Cds)Os -189 Cds-(Cdd-Cd)(Cds-Cd)Os Cds-(Cdd-Cd)(Cds-Cds)Os -190 Cds-(Cdd-Cd)(Cds-Cds)Os Cds-Cds(Cds-Cds)Os -191 Cds-(Cdd-Cd)(Cds-Cdd)Os Cds-(Cdd-Cd)(Cds-Cdd-Cd)Os -192 Cds-(Cdd-Cd)(Cds-Cdd-Od)Os Cds-Cds(Cds-Cdd-Od)Os -193 Cds-(Cdd-Cd)(Cds-Cdd-Cd)Os Cds-(Cdd-Cd)(Cds-Cds)Os -194 Cds-CddCtOs Cds-(Cdd-Cd)CtOs -195 Cds-(Cdd-Od)CtOs Cds-(Cdd-Od)(Cds-Cds)Os -196 Cds-(Cdd-Cd)CtOs Cds-CdsCtOs -197 Cds-CddCbOs Cds-(Cdd-Cd)CbOs -198 Cds-(Cdd-Od)CbOs Cds-(Cdd-Od)(Cds-Cds)Os -199 Cds-(Cdd-Cd)CbOs Cds-CdsCbOs -200 Cds-CdCC Cds-CdsCsCs -201 Cds-CdsCsCs 10.34 -12.7 4.1 4.61 4.99 5.26 5.8 6.08 6.36 0.24 0.12 0.1 Cd-CsCs BENSON -202 Cds-CdsCdsCs Cds-Cds(Cds-Cds)Cs -203 Cds-Cds(Cds-Od)Cs 7.50 -14.6 4.4 5.37 5.93 6.18 6.5 6.62 6.72 0.24 0.12 0.1 "Cd-COCs BENSON Hf, Cd/C/Cd =3D S,Cp" -204 Cds-Cds(Cds-Cd)Cs Cds-Cds(Cds-Cds)Cs -205 Cds-Cds(Cds-Cds)Cs 8.88 -14.6 4.4 5.37 5.93 6.18 6.5 6.62 6.72 0.24 0.12 0.1 Cd-CdCs BENSON -206 Cds-Cds(Cds-Cdd)Cs Cds-Cds(Cds-Cdd-Cd)Cs -207 Cds-Cds(Cds-Cdd-Od)Cs Cds-Cds(Cds-Cds)Cs -208 Cds-Cds(Cds-Cdd-Cd)Cs Cds-Cds(Cds-Cds)Cs -209 Cds-CdsCdsCds Cds-Cds(Cds-Cds)(Cds-Cds) -210 Cds-Cds(Cds-Od)(Cds-Od) Cds-CdsCsCs -211 Cds-Cds(Cds-Od)(Cds-Cd) Cds-Cds(Cds-Od)(Cds-Cds) -212 Cds-Cds(Cds-Od)(Cds-Cds) 4.60 -16.5 4.7 6.13 6.87 7.1 7.2 7.16 7.06 0.24 0.12 0.1 Cd-COCd from CD/CD2/ jwb est 6/97 -213 Cds-Cds(Cds-Od)(Cds-Cdd) Cds-Cds(Cds-Od)(Cds-Cdd-Cd) -214 Cds-Cds(Cds-Od)(Cds-Cdd-Od) Cds-Cds(Cds-Cdd-Od)Cs -215 Cds-Cds(Cds-Od)(Cds-Cdd-Cd) Cds-Cds(Cds-Od)(Cds-Cds) -216 Cds-Cds(Cds-Cd)(Cds-Cd) Cds-Cds(Cds-Cds)(Cds-Cds) -217 Cds-Cds(Cds-Cds)(Cds-Cds) 4.60 -15.67 1.9 2.69 3.5 4.28 5.57 6.21 7.37 0.24 0.12 0.1 "Cd-CdCd Hf=3D est S,Cp mopac nov99" -218 Cds-Cds(Cds-Cds)(Cds-Cdd) Cds-Cds(Cds-Cds)(Cds-Cdd-Cd) -219 Cds-Cds(Cds-Cds)(Cds-Cdd-Od) Cds-Cds(Cds-Cdd-Od)Cs -220 Cds-Cds(Cds-Cds)(Cds-Cdd-Cd) Cds-Cds(Cds-Cds)(Cds-Cds) -221 Cds-Cds(Cds-Cdd)(Cds-Cdd) Cds-Cds(Cds-Cdd-Cd)(Cds-Cdd-Cd) -222 Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Od) Cds-Cds(Cds-Cds)(Cds-Cds) -223 Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Cd) Cds-Cds(Cds-Cds)(Cds-Cdd-Od) -224 Cds-Cds(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cds-Cds(Cds-Cds)(Cds-Cdd-Cd) -225 Cds-CdsCtCs 8.11 -13.02 3.5 3.88 4.88 4.18 4.86 5.4 6.01 0.24 0.12 0.1 Cd-CtCs RAMAN & GREEN JPCA 2002, 106, 11141-11149 -226 Cds-CdsCtCds Cds-Cds(Cds-Cds)Ct -227 Cds-CdsCt(Cds-Od) Cds-Cds(Cds-Od)(Cds-Cds) -228 Cds-CdsCt(Cds-Cd) Cds-Cds(Cds-Cds)Ct -229 Cds-Cds(Cds-Cds)Ct 7.54 -14.65 3.89 5.26 5.98 6.37 6.67 6.78 6.89 0.24 0.12 0.1 Cd-CtCd RAMAN & GREEN JPCA 2002, 106, 11141-11149 -230 Cds-Cds(Cds-Cdd)Ct Cds-Cds(Cds-Cdd-Cd)Ct -231 Cds-Cds(Cds-Cdd-Od)Ct Cds-Cds(Cds-Cds)(Cds-Cdd-Od) -232 Cds-Cds(Cds-Cdd-Cd)Ct Cds-Cds(Cds-Cds)Ct -233 Cds-CdsCtCt 8.81 -13.51 3.23 4.59 5.41 5.93 6.48 6.74 7.02 0.24 0.12 0.1 Cd-CtCt RAMAN & GREEN JPCA 2002, 106, 11141-11149 -234 Cds-CdsCbCs 8.64 -14.6 4.4 5.37 5.93 6.18 6.5 6.62 6.72 0.24 0.12 0.1 Cd-CbCs BENSON -235 Cds-CdsCbCds Cds-Cds(Cds-Cds)Cb -236 Cds-CdsCb(Cds-Od) Cds-Cds(Cds-Od)(Cds-Cds) -237 Cds-Cds(Cds-Cd)Cb Cds-Cds(Cds-Cds)Cb -238 Cds-Cds(Cds-Cds)Cb 7.18 -16.5 4.7 6.13 6.87 7.1 7.2 7.16 7.06 0.24 0.12 0.1 Cd-CbCd BOZZELLI =3D Cd/Cs/Cb + (Cd/Cs/Cd - Cd/Cs/Cs) -239 Cds-Cds(Cds-Cdd)Cb Cds-Cds(Cds-Cdd-Cd)Cb -240 Cds-Cds(Cds-Cdd-Od)Cb Cds-Cds(Cds-Cds)(Cds-Cdd-Od) -241 Cds-Cds(Cds-Cdd-Cd)Cb Cds-Cds(Cds-Cds)Cb -242 Cds-CdsCbCt 6.70 -17.04 2.22 3.14 4.54 4.11 5.06 5.79 6.71 0.24 0.12 0.1 "Cd-CbCt Hf=3D est S,Cp mopac nov99" -243 Cds-CdsCbCb 8.00 -16.5 4.7 6.13 6.87 7.1 7.2 7.16 7.06 0.24 0.12 0.1 Cd-CbCb BOZZELLI =3D Cd/Cs/Cb + (Cd/Cs/Cb - Cd/Cs/Cs) -244 Cds-CddCsCs Cds-(Cdd-Cd)CsCs -245 Cds-(Cdd-Od)CsCs -1.644 20.02 9.82 10.74 11.53 13.22 13.46 14.28 15.35 0.24 0.12 0.1 {CCO/C2} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -246 Cds-(Cdd-Cd)CsCs Cds-CdsCsCs -247 Cds-CddCdsCs Cds-(Cdd-Cd)(Cds-Cds)Cs -248 Cds-(Cdd-Od)(Cds-Od)Cs Cds-(Cdd-Od)CsCs -249 Cds-(Cdd-Od)(Cds-Cd)Cs Cds-(Cdd-Od)(Cds-Cds)Cs -250 Cds-(Cdd-Od)(Cds-Cds)Cs Cds-(Cdd-Od)CsCs -251 Cds-(Cdd-Od)(Cds-Cdd)Cs Cds-(Cdd-Od)(Cds-Cdd-Cd)Cs -252 Cds-(Cdd-Od)(Cds-Cdd-Od)Cs -2.070 19.65 10.10 11.24 12.12 12.84 14.00 14.75 15.72 0.24 0.12 0.1 {CCO/C/CCO} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -253 Cds-(Cdd-Od)(Cds-Cdd-Cd)Cs Cds-(Cdd-Od)(Cds-Cds)Cs -254 Cds-(Cdd-Cd)(Cds-Cd)Cs Cds-(Cdd-Cd)(Cds-Cds)Cs -255 Cds-(Cdd-Cd)(Cds-Cds)Cs Cds-Cds(Cds-Cds)Cs -256 Cds-(Cdd-Cd)(Cds-Cdd)Cs Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cs -257 Cds-(Cdd-Cd)(Cds-Cdd-Od)Cs Cds-Cds(Cds-Cdd-Od)Cs -258 Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cs Cds-(Cdd-Cd)(Cds-Cds)Cs -259 Cds-CddCdsCds Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) -260 Cds-(Cdd-Od)(Cds-Od)(Cds-Od) Cds-(Cdd-Od)CsCs -261 Cds-(Cdd-Od)(Cds-Cd)(Cds-Od) Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) -262 Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) Cds-(Cdd-Od)(Cds-Od)Cs -263 Cds-(Cdd-Od)(Cds-Cdd)(Cds-Od) Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Od) -264 Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Od) Cds-(Cdd-Od)(Cds-Cdd-Od)Cs -265 Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Od) Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) -266 Cds-(Cdd-Od)(Cds-Cd)(Cds-Cd) Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -267 Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) Cds-(Cdd-Od)CsCs -268 Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cds) Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cds) -269 Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) Cds-(Cdd-Od)(Cds-Cdd-Od)Cs -270 Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cds) Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -271 Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cdd) Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -272 Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -273 Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) -274 Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -275 Cds-(Cdd-Cd)(Cds-Od)(Cds-Od) Cds-Cds(Cds-Od)(Cds-Od) -276 Cds-(Cdd-Cd)(Cds-Od)(Cds-Cd) Cds-(Cdd-Cd)(Cds-Od)(Cds-Cds) -277 Cds-(Cdd-Cd)(Cds-Od)(Cds-Cds) Cds-Cds(Cds-Od)(Cds-Cds) -278 Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd) Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Cd) -279 Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Od) Cds-Cds(Cds-Od)(Cds-Cdd-Od) -280 Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Cd) Cds-(Cdd-Cd)(Cds-Od)(Cds-Cds) -281 Cds-(Cdd-Cd)(Cds-Cd)(Cds-Cd) Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) -282 Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) Cds-Cds(Cds-Cds)(Cds-Cds) -283 Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cds) Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cds) -284 Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cds) Cds-Cds(Cds-Cds)(Cds-Cdd-Od) -285 Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cds) Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) -286 Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cdd) Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -287 Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Od) Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Od) -288 Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cds) -289 Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) -290 Cds-CddCtCs Cds-(Cdd-Cd)CtCs -291 Cds-(Cdd-Od)CtCs Cds-(Cdd-Od)(Cds-Cds)Cs -292 Cds-(Cdd-Cd)CtCs Cds-CdsCtCs -293 Cds-CddCtCds Cds-(Cdd-Cd)(Cds-Cds)Ct -294 Cds-(Cdd-Od)(Cds-Od)Ct Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) -295 Cds-(Cdd-Od)(Cds-Cd)Ct Cds-(Cdd-Od)(Cds-Cds)Ct -296 Cds-(Cdd-Od)(Cds-Cds)Ct Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -297 Cds-(Cdd-Od)(Cds-Cdd)Ct Cds-(Cdd-Od)(Cds-Cdd-Cd)Ct -298 Cds-(Cdd-Od)(Cds-Cdd-Od)Ct Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) -299 Cds-(Cdd-Od)(Cds-Cdd-Cd)Ct Cds-(Cdd-Od)(Cds-Cds)Ct -300 Cds-(Cdd-Cd)(Cds-Cd)Ct Cds-(Cdd-Cd)(Cds-Cds)Ct -301 Cds-(Cdd-Cd)(Cds-Cds)Ct Cds-Cds(Cds-Cds)Ct -302 Cds-(Cdd-Cd)(Cds-Cdd)Ct Cds-(Cdd-Cd)(Cds-Cdd-Cd)Ct -303 Cds-(Cdd-Cd)(Cds-Cdd-Od)Ct Cds-Cds(Cds-Cdd-Od)Ct -304 Cds-(Cdd-Cd)(Cds-Cdd-Cd)Ct Cds-(Cdd-Cd)(Cds-Cds)Ct -305 Cds-CddCtCt Cds-(Cdd-Cd)CtCt -306 Cds-(Cdd-Od)CtCt Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -307 Cds-(Cdd-Cd)CtCt Cds-CdsCtCt -308 Cds-CddCbCs Cds-(Cdd-Cd)CbCs -309 Cds-(Cdd-Od)CbCs Cds-(Cdd-Od)(Cds-Cds)Cs -310 Cds-(Cdd-Cd)CbCs Cds-CdsCbCs -311 Cds-CddCbCds Cds-(Cdd-Cd)(Cds-Cds)Cb -312 Cds-(Cdd-Od)(Cds-Od)Cb Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) -313 Cds-(Cdd-Od)(Cds-Cd)Cb Cds-(Cdd-Od)(Cds-Cds)Cb -314 Cds-(Cdd-Od)(Cds-Cds)Cb Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -315 Cds-(Cdd-Od)(Cds-Cdd)Cb Cds-(Cdd-Od)(Cds-Cdd-Cd)Cb -316 Cds-(Cdd-Od)(Cds-Cdd-Od)Cb Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) -317 Cds-(Cdd-Od)(Cds-Cdd-Cd)Cb Cds-(Cdd-Od)(Cds-Cds)Cb -318 Cds-(Cdd-Cd)(Cds-Cd)Cb Cds-(Cdd-Cd)(Cds-Cds)Cb -319 Cds-(Cdd-Cd)(Cds-Cds)Cb Cds-Cds(Cds-Cds)Cb -320 Cds-(Cdd-Cd)(Cds-Cdd)Cb Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cb -321 Cds-(Cdd-Cd)(Cds-Cdd-Od)Cb Cds-Cds(Cds-Cdd-Od)Cb -322 Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cb Cds-(Cdd-Cd)(Cds-Cds)Cb -323 Cds-CddCbCt Cds-(Cdd-Cd)CbCt -324 Cds-(Cdd-Od)CbCt Cds-(Cdd-Od)(Cds-Cds)Ct -325 Cds-(Cdd-Cd)CbCt Cds-CdsCbCt -326 Cds-CddCbCb Cds-(Cdd-Cd)CbCb -327 Cds-(Cdd-Od)CbCb Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -328 Cds-(Cdd-Cd)CbCb Cds-CdsCbCb -329 Cs Cs-CsCsCsCs -330 Cs-HHHH -17.90 49.41 8.43 9.84 11.14 12.41 15.00 17.25 20.63 0.1 0.05 0.06 CHEMKIN DATABASE S(group) = S(CH4) + Rln(12) -331 Cs-CHHH Cs-CsHHH -332 Cs-CsHHH -10.20 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 0.12 0.08 0.08 Cs-CsHHH BENSON -333 Cs-CdsHHH Cs-(Cds-Cds)HHH -334 Cs-(Cds-Od)HHH -10.08 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 0.08 0.04 0.04 Cs-COHHH BENSON: Cp1500 =3D Cp1000*(Cp1500/Cp1000: C/Cd/H3) -335 Cs-(Cds-Cd)HHH Cs-(Cds-Cds)HHH -336 Cs-(Cds-Cds)HHH -10.20 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 0.08 0.04 0.04 Cs-CdHHH BENSON (Assigned Cs-CsHHH) -337 Cs-(Cds-Cdd)HHH Cs-(Cds-Cdd-Cd)HHH -338 Cs-(Cds-Cdd-Od)HHH -10.08 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 0.08 0.04 0.04 "{CCO/C/H3} RAMAN & GREEN JPCA 2002, 106, 7937-7949, assigened same value as Cs-CsHHH" -339 Cs-(Cds-Cdd-Cd)HHH Cs-(Cds-Cds)HHH -340 Cs-CtHHH -10.20 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 0.15 0.08 0.08 Cs-CtHHH BENSON (Assigned Cs-CsHHH) -341 Cs-CbHHH -10.20 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 0.18 0.14 0.1 Cs-CbHHH BENSON (Assigned Cs-CsHHH) -342 Cs-OsHHH -10.10 30.41 6.19 7.84 9.4 10.79 13.03 14.77 17.58 0.2 0.1 0.1 Cs-OHHH BENSON -343 Cs-OsOsHH -15.23 9.42 5.5 6.95 8.25 9.35 11.07 12.34 12.34 0.2 0.1 0.1 "Cs-OOHH PEDLEY Hf, BOZZELLI C/C2/H2 !!!WARNING! Cp1500 value taken as Cp1000" -344 Cs-OsOsOsH -21.23 -12.07 4.54 6 7.17 8.05 9.31 10.05 10.05 0.2 0.1 0.1 "Cs-OOOH BOZZELLI del C/C2/O - C/C3/O, series !!!WARNING! Cp1500 value taken as Cp1000" -345 Cs-CCHH Cs-CsCsHH -346 Cs-CsCsHH -4.93 9.42 5.5 6.95 8.25 9.35 11.07 12.34 14.25 0.05 0.13 0.04 Cs-CsCsHH BENSON -347 Cs-CdsCsHH Cs-(Cds-Cds)CsHH -348 Cs-(Cds-Od)CsHH -5.2 9.6 6.2 7.7 8.7 9.5 11.1 12.2 14.07 0.16 0.1 0.1 Cs-COCsHH BENSON Cp1500 =3D Cp1000*(Cp1500/Cp1000: C/C/Cd/H2) -349 Cs-(Cds-Cd)CsHH Cs-(Cds-Cds)CsHH -350 Cs-(Cds-Cds)CsHH -4.76 9.8 5.12 6.86 8.32 9.49 11.22 12.48 14.36 0.16 0.1 0.1 Cs-CdCsHH BENSON -351 Cs-(Cds-Cdd)CsHH Cs-(Cds-Cdd-Cd)CsHH -352 Cs-(Cds-Cdd-Od)CsHH -5.723 9.37 5.35 6.83 8.25 9.45 11.19 12.46 14.34 0.16 0.1 0.1 {C/C/H2/CCO} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -353 Cs-(Cds-Cdd-Cd)CsHH Cs-(Cds-Cds)CsHH -354 Cs-CdsCdsHH Cs-(Cds-Cds)(Cds-Cds)HH -355 Cs-(Cds-Od)(Cds-Od)HH -7.6 5.82 5.03 7.44 9.16 10.49 12.17 13.57 13.57 0.16 0.1 0.1 "Cs-COCOHH BENSON Hf, Mopac =3D S,Cp nov99 !!!WARNING! Cp1500 value taken as Cp1000" -356 Cs-(Cds-Od)(Cds-Cd)HH Cs-(Cds-Od)(Cds-Cds)HH -357 Cs-(Cds-Od)(Cds-Cds)HH -3.8 6.31 4.75 7.11 8.92 10.32 12.16 13.61 13.61 0.16 0.1 0.1 "Cs-COCdHH BENSON Hf, Mopac =3D S,Cp nov99 !!!WARNING! Cp1500 value taken as Cp1000" -358 Cs-(Cds-Od)(Cds-Cdd)HH Cs-(Cds-Od)(Cds-Cdd-Cd)HH -359 Cs-(Cds-Od)(Cds-Cdd-Od)HH Cs-(Cds-Cdd-Od)CsHH -360 Cs-(Cds-Od)(Cds-Cdd-Cd)HH Cs-(Cds-Od)(Cds-Cds)HH -361 Cs-(Cds-Cd)(Cds-Cd)HH Cs-(Cds-Cds)(Cds-Cds)HH -362 Cs-(Cds-Cds)(Cds-Cds)HH -4.29 10.2 4.7 6.8 8.4 9.6 11.3 12.6 14.4 0.16 0.1 0.1 Cs-CdCdHH BENSON -363 Cs-(Cds-Cdd)(Cds-Cds)HH Cs-(Cds-Cdd-Cd)(Cds-Cds)HH -364 Cs-(Cds-Cdd-Od)(Cds-Cds)HH Cs-(Cds-Cdd-Od)CsHH -365 Cs-(Cds-Cdd-Cd)(Cds-Cds)HH Cs-(Cds-Cds)(Cds-Cds)HH -366 Cs-(Cds-Cdd)(Cds-Cdd)HH Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)HH -367 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)HH -5.301 7.18 6.68 8.28 9.58 10.61 12.04 13.13 14.87 0.16 0.1 0.1 {C/H2/CCO2} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -368 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)HH Cs-(Cds-Cdd-Od)(Cds-Cds)HH -369 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)HH Cs-(Cds-Cds)(Cds-Cds)HH -370 Cs-CtCsHH -4.73 10.3 4.95 6.56 7.93 9.08 10.86 12.19 14.2 0.28 0.07 0.08 Cs-CtCsHH BENSON -371 Cs-CtCdsHH Cs-(Cds-Cds)CtHH -372 Cs-(Cds-Od)CtHH -5.4 7.68 3.85 6.22 8.01 9.43 11.29 12.76 12.76 0.28 0.07 0.08 "Cs-COCtHH BENSON Hf, Mopac =3D S,Cp nov99 !!!WARNING! Cp1500 value taken as Cp1000" -373 Cs-(Cds-Cd)CtHH Cs-(Cds-Cds)CtHH -374 Cs-(Cds-Cds)CtHH -3.49 9.31 4.4 6.33 7.9 9.16 10.93 12.29 13.43 0.28 0.07 0.08 Cs-CtCdHH RAMAN & GREEN JPCA 2002, 106, 11141-11149 -375 Cs-(Cds-Cdd)CtHH Cs-(Cds-Cdd-Cd)CtHH -376 Cs-(Cds-Cdd-Od)CtHH Cs-(Cds-Cdd-Od)(Cds-Cds)HH -377 Cs-(Cds-Cdd-Cd)CtHH Cs-(Cds-Cds)CtHH -378 Cs-CtCtHH -0.82 10.04 4 6.07 7.71 9.03 10.88 12.3 12.48 0.28 0.07 0.08 Cs-CtCtHH RAMAN & GREEN JPCA 2002, 106, 11141-11149 -379 Cs-CbCsHH -4.86 9.34 5.84 7.61 8.98 10.01 11.49 12.54 13.76 0.2 0.19 0.1 Cs-CbCsHH BENSON -380 Cs-CbCdsHH Cs-(Cds-Cds)CbHH -381 Cs-(Cds-Od)CbHH -5.4 5.89 5.38 7.59 9.25 10.51 12.19 13.52 13.52 0.2 0.19 0.1 "Cs-COCbHH BENSON Hf, Mopac =3D S,Cp nov99 !!!WARNING! Cp1500 value taken as Cp1000" -382 Cs-(Cds-Cd)CbHH Cs-(Cds-Cds)CbHH -383 Cs-(Cds-Cds)CbHH -4.29 2 4.51 6.76 8.61 10.01 11.97 13.4 15.47 0.2 0.19 0.2 "Cs-CbCdHH Hf=Stein S,Cp=3D mopac nov99" -384 Cs-(Cds-Cdd)CbHH Cs-(Cds-Cdd-Cd)CbHH -385 Cs-(Cds-Cdd-Od)CbHH Cs-(Cds-Cdd-Od)(Cds-Cds)HH -386 Cs-(Cds-Cdd-Cd)CbHH Cs-(Cds-Cds)CbHH -387 Cs-CbCtHH -4.29 9.84 4.28 6.43 8.16 9.5 11.36 12.74 13.7 0.28 0.07 0.08 "Cs-CbCtHH Hf=Stein S,Cp=3D mopac nov99" -388 Cs-CbCbHH -4.29 8.07 5.67 7.7 9.31 10.52 12.21 13.47 15.11 0.2 0.19 0.2 "Cs-CbCbHH Hf=3Dbsn/Cs/Cd2/H2 S,Cp=3D mopac nov99" -389 Cs-CCCH Cs-CsCsCsH -390 Cs-CsCsCsH -1.9 -12.07 4.54 6 7.17 8.05 9.31 10.05 11.17 0.15 0.07 0.07 Cs-CsCsCsH BENSON -391 Cs-CdsCsCsH Cs-(Cds-Cds)CsCsH -392 Cs-(Cds-Od)CsCsH -1.7 -11.7 4.16 5.91 7.34 8.19 9.46 10.19 10.19 0.27 0.15 0.13 "Cs-COCsCsH BOZZELLI - BENSON Hf, S, -C/C2Cd/H =3D Cp !!!WARNING! Cp1500 value taken as Cp1000" -393 Cs-(Cds-Cd)CsCsH Cs-(Cds-Cds)CsCsH -394 Cs-(Cds-Cds)CsCsH -1.48 -11.69 4.16 5.91 7.34 8.19 9.46 10.19 11.28 0.27 0.15 0.13 Cs-CdCsCsH BENSON -395 Cs-(Cds-Cdd)CsCsH Cs-(Cds-Cdd-Cd)CsCsH -396 Cs-(Cds-Cdd-Od)CsCsH -3.634 -12.31 4.96 6.35 7.61 8.54 9.65 10.35 11.19 0.27 0.15 0.13 {C/C2/CCO/H} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -397 Cs-(Cds-Cdd-Cd)CsCsH -1.48 -11.69 4.16 5.91 7.34 8.19 9.46 10.19 11.28 0.27 0.15 0.13 Cs-CdCsCsH BENSON -398 Cs-CtCsCsH -1.72 -11.19 3.99 5.61 6.85 7.78 9.1 9.9 11.12 0.27 0.15 0.13 Cs-CtCsCsH BENSON -399 Cs-CbCsCsH -0.98 -12.15 4.88 6.66 7.9 8.75 9.73 10.25 10.68 0.27 0.15 0.13 Cs-CbCsCsH BENSON -400 Cs-CdsCdsCsH Cs-(Cds-Cds)(Cds-Cds)CsH -401 Cs-(Cds-Od)(Cds-Od)CsH Cs-CsCsCsH -402 Cs-(Cds-Od)(Cds-Cd)CsH Cs-(Cds-Od)(Cds-Cds)CsH -403 Cs-(Cds-Od)(Cds-Cds)CsH Cs-(Cds-Od)CsCsH -404 Cs-(Cds-Od)(Cds-Cdd)CsH Cs-(Cds-Od)(Cds-Cdd-Cd)CsH -405 Cs-(Cds-Od)(Cds-Cdd-Od)CsH Cs-(Cds-Cdd-Od)CsCsH -406 Cs-(Cds-Od)(Cds-Cdd-Cd)CsH Cs-(Cds-Od)(Cds-Cds)CsH -407 Cs-(Cds-Cd)(Cds-Cd)CsH Cs-(Cds-Cds)(Cds-Cds)CsH -408 Cs-(Cds-Cds)(Cds-Cds)CsH -1.1 -13.03 5.28 6.54 7.67 8.48 9.45 10.18 11.24 0.27 0.15 0.13 Cs-CdCdCsH RAMAN & GREEN JPCA 2002, 106, 11141-11149 -409 Cs-(Cds-Cdd)(Cds-Cds)CsH Cs-(Cds-Cdd-Cd)(Cds-Cds)CsH -410 Cs-(Cds-Cdd-Od)(Cds-Cds)CsH Cs-(Cds-Cdd-Od)CsCsH -411 Cs-(Cds-Cdd-Cd)(Cds-Cds)CsH Cs-(Cds-Cds)(Cds-Cds)CsH -412 Cs-(Cds-Cdd)(Cds-Cdd)CsH Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsH -413 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsH -3.714 -14.12 6.33 7.96 9.13 9.91 10.7 11.19 11.81 0.27 0.15 0.13 {C/C/H/CCO2} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -414 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsH Cs-(Cds-Cdd-Od)(Cds-Cds)CsH -415 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsH Cs-(Cds-Cds)(Cds-Cds)CsH -416 Cs-CtCdsCsH Cs-(Cds-Cds)CtCsH -417 Cs-(Cds-Od)CtCsH Cs-(Cds-Od)(Cds-Cds)CsH -418 Cs-(Cds-Cd)CtCsH Cs-(Cds-Cds)CtCsH -419 Cs-(Cds-Cds)CtCsH -6.9 -13.48 5.55 7.21 8.39 9.17 10 10.61 10.51 0.27 0.15 0.13 Cs-CtCdCsH RAMAN & GREEN JPCA 2002, 106, 11141-11149 -420 Cs-(Cds-Cdd)CtCsH Cs-(Cds-Cdd-Cd)CtCsH -421 Cs-(Cds-Cdd-Od)CtCsH Cs-(Cds-Cdd-Od)(Cds-Cds)CsH -422 Cs-(Cds-Cdd-Cd)CtCsH Cs-(Cds-Cds)CtCsH -423 Cs-CbCdsCsH Cs-(Cds-Cds)CbCsH -424 Cs-(Cds-Od)CbCsH Cs-(Cds-Od)(Cds-Cds)CsH -425 Cs-(Cds-Cd)CbCsH Cs-(Cds-Cds)CbCsH -426 Cs-(Cds-Cds)CbCsH -1.56 -11.77 4.5 6.57 8.07 8.89 9.88 10.39 10.79 0.27 0.15 0.13 Cs-CbCdCsH BOZZELLI =3D Cs/Cs2/Cd/H + (Cs/Cs2/Cb/H - Cs/Cs3/H) -427 Cs-(Cds-Cdd)CbCsH Cs-(Cds-Cdd-Cd)CbCsH -428 Cs-(Cds-Cdd-Od)CbCsH Cs-(Cds-Cdd-Od)(Cds-Cds)CsH -429 Cs-(Cds-Cdd-Cd)CbCsH Cs-(Cds-Cds)CbCsH -430 Cs-CtCtCsH 1.72 -11.61 3.27 5.32 6.9 8.03 9.33 10.21 9.38 0.27 0.15 0.13 Cs-CtCtCsH RAMAN & GREEN JPCA 2002, 106, 11141-11149 -431 Cs-CbCtCsH -1.55 -11.65 4.33 6.27 7.58 8.48 9.52 10.1 10.63 0.27 0.15 0.13 Cs-CbCtCsH BOZZELLI =3D Cs/Cs2/Cb/H + (Cs/Cs2/Ct/H - Cs/Cs3/H) -432 Cs-CbCbCsH -1.06 -12.23 5.22 7.32 8.63 8.45 10.15 10.45 10.89 0.27 0.15 0.13 Cs-CbCbCsCs BOZZELLI =3D Cs/Cs2/Cb/H + (Cs/Cs2/Cb/H - Cs/Cs3/H) -433 Cs-CdsCdsCdsH Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -434 Cs-(Cds-Od)(Cds-Od)(Cds-Od)H Cs-CsCsCsH -435 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)H Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H -436 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H Cs-(Cds-Od)(Cds-Od)CsH -437 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)H Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)H -438 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)H Cs-(Cds-Cdd-Od)CsCsH -439 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)H Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H -440 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)H Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -441 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H Cs-(Cds-Od)CsCsH -442 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)H Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)H -443 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H Cs-(Cds-Od)(Cds-Cdd-Od)CsH -444 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)H Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -445 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)H Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H -446 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsH -447 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H -448 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -449 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -450 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H 0.41 -11.82 4.51 5.96 7.13 7.98 9.06 9.9 11.23 0.27 0.15 0.13 Cs-CdCdCdH RAMAN & GREEN JPC 2002 -451 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)H -452 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H Cs-(Cds-Cdd-Od)CsCsH -453 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -454 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)H Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H -455 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsH -456 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -457 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -458 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)H Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H -459 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -460 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H -461 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -462 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -463 Cs-CtCdsCdsH Cs-(Cds-Cds)(Cds-Cds)CtH -464 Cs-(Cds-Od)(Cds-Od)CtH Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H -465 Cs-(Cds-Od)(Cds-Cd)CtH Cs-(Cds-Od)(Cds-Cds)CtH -466 Cs-(Cds-Od)(Cds-Cds)CtH Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -467 Cs-(Cds-Od)(Cds-Cdd)CtH Cs-(Cds-Od)(Cds-Cdd-Cd)CtH -468 Cs-(Cds-Od)(Cds-Cdd-Od)CtH Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H -469 Cs-(Cds-Od)(Cds-Cdd-Cd)CtH Cs-(Cds-Od)(Cds-Cds)CtH -470 Cs-(Cds-Cd)(Cds-Cd)CtH Cs-(Cds-Cds)(Cds-Cds)CtH -471 Cs-(Cds-Cds)(Cds-Cds)CtH 1.88 -13.75 6.68 7.85 8.62 9.16 9.81 10.42 10.49 0.27 0.15 0.13 Cs-CtCdCdH RAMAN & GREEN JPCA 2002, 106, 11141-11149 -472 Cs-(Cds-Cdd)(Cds-Cds)CtH Cs-(Cds-Cdd-Cd)(Cds-Cds)CtH -473 Cs-(Cds-Cdd-Od)(Cds-Cds)CtH Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -474 Cs-(Cds-Cdd-Cd)(Cds-Cds)CtH Cs-(Cds-Cds)(Cds-Cds)CtH -475 Cs-(Cds-Cdd)(Cds-Cdd)CtH Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtH -476 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtH Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H -477 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtH Cs-(Cds-Cdd-Od)(Cds-Cds)CtH -478 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtH Cs-(Cds-Cds)(Cds-Cds)CtH -479 Cs-CbCdsCdsH Cs-(Cds-Cds)(Cds-Cds)CbH -480 Cs-(Cds-Od)(Cds-Od)CbH Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H -481 Cs-(Cds-Od)(Cds-Cd)CbH Cs-(Cds-Od)(Cds-Cds)CbH -482 Cs-(Cds-Od)(Cds-Cds)CbH Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -483 Cs-(Cds-Od)(Cds-Cdd)CbH Cs-(Cds-Od)(Cds-Cdd-Cd)CbH -484 Cs-(Cds-Od)(Cds-Cdd-Od)CbH Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H -485 Cs-(Cds-Od)(Cds-Cdd-Cd)CbH Cs-(Cds-Od)(Cds-Cds)CbH -486 Cs-(Cds-Cd)(Cds-Cd)CbH Cs-(Cds-Cds)(Cds-Cds)CbH -487 Cs-(Cds-Cds)(Cds-Cds)CbH -1.39 -11.39 4.12 6.51 8.24 9 10.03 10.53 10.89 0.27 0.15 0.13 Cs-CbCdCdH BOZZELLI =3D Cs/Cs/Cd2/H + (Cs/Cs2/Cb/H - Cs/Cs3/H) -488 Cs-(Cds-Cdd)(Cds-Cds)CbH Cs-(Cds-Cdd-Cd)(Cds-Cds)CbH -489 Cs-(Cds-Cdd-Od)(Cds-Cds)CbH Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -490 Cs-(Cds-Cdd-Cd)(Cds-Cds)CbH Cs-(Cds-Cds)(Cds-Cds)CbH -491 Cs-(Cds-Cdd)(Cds-Cdd)CbH Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbH -492 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbH Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H -493 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbH Cs-(Cds-Cdd-Od)(Cds-Cds)CbH -494 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbH Cs-(Cds-Cds)(Cds-Cds)CbH -495 Cs-CtCtCdsH Cs-CtCt(Cds-Cds)H -496 Cs-CtCt(Cds-Od)H Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -497 Cs-CtCt(Cds-Cd)H Cs-CtCt(Cds-Cds)H -498 Cs-CtCt(Cds-Cds)H 4.73 -11.46 3.58 5.68 7.11 8.12 9.27 10.13 9.44 0.27 0.15 0.13 Cs-CtCtCdH RAMAN & GREEN JPCA 2002, 106, 11141-11149 -499 Cs-CtCt(Cds-Cdd)H Cs-CtCt(Cds-Cdd-Cd)H -500 Cs-CtCt(Cds-Cdd-Od)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -501 Cs-CtCt(Cds-Cdd-Cd)H Cs-CtCt(Cds-Cds)H -502 Cs-CbCtCdsH Cs-CbCt(Cds-Cds)H -503 Cs-CbCt(Cds-Od)H Cs-(Cds-Od)(Cds-Cds)CtH -504 Cs-CbCt(Cds-Cd)H Cs-CbCt(Cds-Cds)H -505 Cs-CbCt(Cds-Cds)H Cs-(Cds-Cds)(Cds-Cds)CtH -506 Cs-CbCt(Cds-Cdd)H Cs-CbCt(Cds-Cdd-Cd)H -507 Cs-CbCt(Cds-Cdd-Od)H Cs-(Cds-Cdd-Od)(Cds-Cds)CtH -508 Cs-CbCt(Cds-Cdd-Cd)H Cs-CbCt(Cds-Cds)H -509 Cs-CbCbCdsH Cs-CbCb(Cds-Cds)H -510 Cs-CbCb(Cds-Od)H Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -511 Cs-CbCb(Cds-Cds)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -512 Cs-CbCb(Cds-Cdd)H Cs-CbCb(Cds-Cdd-Cd)H -513 Cs-CbCb(Cds-Cdd-Od)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -514 Cs-CbCb(Cds-Cdd-Cd)H Cs-CbCb(Cds-Cds)H -515 Cs-CtCtCtH 10.11 -10.46 3.03 5.27 6.78 7.88 9.14 10.08 8.47 0.27 0.15 0.13 Cs-CtCtCtH RAMAN & GREEN JPCA 2002, 106, 11141-11149 -516 Cs-CbCtCtH Cs-CtCt(Cds-Cds)H -517 Cs-CbCbCtH Cs-(Cds-Cds)(Cds-Cds)CtH -518 Cs-CbCbCbH -0.34 -12.31 5.56 7.98 9.36 10.15 10.57 10.65 9.7 0.27 0.15 0.13 Cs-CbCbCbH BOZZELLI =3D Cs/Cs/Cb2/H + (Cs/Cs2/Cb/H - Cs/Cs3/H) -519 Cs-CCCC Cs-CsCsCsCs -520 Cs-CsCsCsCs 0.5 -35.1 4.37 6.13 7.36 8.12 8.77 8.76 8.12 0.27 0.15 0.13 Cs-CsCsCsCs BENSON -521 Cs-CdsCsCsCs Cs-(Cds-Cds)CsCsCs -522 Cs-(Cds-Od)CsCsCs 1.4 -34.72 3.99 6.04 7.43 8.26 8.92 8.96 8.23 0.27 0.15 0.13 "Cs-COCsCsCs Hf BENSON S,Cp =3D C/Cd/C3" -523 Cs-(Cds-Cd)CsCsCs Cs-(Cds-Cds)CsCsCs -524 Cs-(Cds-Cds)CsCsCs 1.68 -34.72 3.99 6.04 7.43 8.26 8.92 8.96 8.23 0.27 0.15 0.13 Cs-CdCsCsCs BENSON -525 Cs-(Cds-Cdd)CsCsCs Cs-(Cds-Cdd-Cd)CsCsCs -526 Cs-(Cds-Cdd-Od)CsCsCs -2.896 -34.87 4.48 6.06 7.31 8.07 8.59 8.66 8.29 0.27 0.15 0.13 {C/C3/CCO} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -527 Cs-(Cds-Cdd-Cd)CsCsCs Cs-(Cds-Cds)CsCsCs -528 Cs-CtCsCsCs 2.81 -35.18 4.37 6.79 8.09 8.78 9.19 8.96 7.63 0.27 0.15 0.13 Cs-CtCsCsCs BENSON -529 Cs-CbCsCsCs 2.81 -35.18 4.37 6.79 8.09 8.78 9.19 8.96 7.63 0.26 0.13 0.13 Cs-CbCsCsCs BENSON -530 Cs-CdsCdsCsCs Cs-(Cds-Cds)(Cds-Cds)CsCs -531 Cs-(Cds-Od)(Cds-Od)CsCs Cs-CsCsCsCs -532 Cs-(Cds-Od)(Cds-Cd)CsCs Cs-(Cds-Od)(Cds-Cds)CsCs -533 Cs-(Cds-Od)(Cds-Cds)CsCs Cs-(Cds-Od)CsCsCs -534 Cs-(Cds-Od)(Cds-Cdd)CsCs Cs-(Cds-Od)(Cds-Cdd-Cd)CsCs -535 Cs-(Cds-Od)(Cds-Cdd-Od)CsCs Cs-(Cds-Cdd-Od)CsCsCs -536 Cs-(Cds-Od)(Cds-Cdd-Cd)CsCs Cs-(Cds-Od)(Cds-Cds)CsCs -537 Cs-(Cds-Cd)(Cds-Cd)CsCs Cs-(Cds-Cds)(Cds-Cds)CsCs -538 Cs-(Cds-Cds)(Cds-Cds)CsCs 1.68 -34.72 3.99 6.04 7.43 8.26 8.92 8.96 8.23 0.26 0.13 0.13 Cs-CdCdCsCs BENSON -539 Cs-(Cds-Cdd)(Cds-Cds)CsCs Cs-(Cds-Cdd-Cd)(Cds-Cds)CsCs -540 Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs Cs-(Cds-Cdd-Od)CsCsCs -541 Cs-(Cds-Cdd-Cd)(Cds-Cds)CsCs Cs-(Cds-Cds)(Cds-Cds)CsCs -542 Cs-(Cds-Cdd)(Cds-Cdd)CsCs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsCs -543 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs -2.987 -36.46 6.73 8.10 9.02 9.53 9.66 9.52 8.93 0.26 0.13 0.13 {C/C2/CCO2} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -544 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsCs Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs -545 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsCs Cs-(Cds-Cds)(Cds-Cds)CsCs -546 Cs-CtCdsCsCs Cs-(Cds-Cds)CtCsCs -547 Cs-(Cds-Od)CtCsCs Cs-(Cds-Od)(Cds-Cds)CsCs -548 Cs-(Cds-Cd)CtCsCs Cs-(Cds-Cds)CtCsCs -549 Cs-(Cds-Cds)CtCsCs 2.99 -34.8 3.99 6.7 8.16 8.92 9.34 9.16 7.14 0.26 0.13 0.13 Cs-CtCdCsCs BOZZELLI =3D Cs/Cs3/Cd + (Cs/Cs3/Ct - Cs/Cs4) -550 Cs-(Cds-Cdd)CtCsCs Cs-(Cds-Cdd-Cd)CtCsCs -551 Cs-(Cds-Cdd-Od)CtCsCs Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs -552 Cs-(Cds-Cdd-Cd)CtCsCs Cs-(Cds-Cds)CtCsCs -553 Cs-CbCdsCsCs Cs-(Cds-Cds)CbCsCs -554 Cs-(Cds-Od)CbCsCs Cs-(Cds-Od)(Cds-Cds)CsCs -555 Cs-(Cds-Cd)CbCsCs Cs-(Cds-Cds)CbCsCs -556 Cs-(Cds-Cds)CbCsCs 2.99 -34.8 3.99 6.7 8.16 8.92 9.34 9.16 7.14 0.26 0.13 0.13 Cs-CbCdCsCs BOZZELLI =3D Cs/Cs3/Cb + (Cs/Cs3/Cd - Cs/Cs4) -557 Cs-(Cds-Cdd)CbCsCs Cs-(Cds-Cdd-Cd)CbCsCs -558 Cs-(Cds-Cdd-Od)CbCsCs Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs -559 Cs-(Cds-Cdd-Cd)CbCsCs Cs-(Cds-Cds)CbCsCs -560 Cs-CtCtCsCs 1.16 -35.26 3.57 5.98 7.51 8.37 9 9.02 8.34 0.26 0.13 0.13 Cs-CtCtCsCs BOZZELLI =3D Cs/Cs3/Ct + (Cs/Cs3/Ct - Cs/Cs4) -561 Cs-CbCtCsCs 1.16 -35.26 3.57 5.98 7.51 8.37 9 9.02 8.34 0.26 0.13 0.13 Cs-CbCtCsCs BOZZELLI =3D Cs/Cs3/Cb + (Cs/Cs3/Ct - Cs/Cs4) -562 Cs-CbCbCsCs 1.16 -35.26 3.57 5.98 7.51 8.37 9 9.02 8.34 0.26 0.13 0.13 Cs-CbCbCsCs BENSON -563 Cs-CdsCdsCdsCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -564 Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cs Cs-CsCsCsCs -565 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs -566 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs Cs-(Cds-Od)(Cds-Od)CsCs -567 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cs Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cs -568 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cs Cs-(Cds-Cdd-Od)CsCsCs -569 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs -570 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -571 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs Cs-(Cds-Od)CsCsCs -572 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cs Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cs -573 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs Cs-(Cds-Od)(Cds-Cdd-Od)CsCs -574 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -575 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cs Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs -576 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs -577 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs -578 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs // Would have same value as Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -579 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -580 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs 2.54 -33.96 3.32 5.86 7.57 8.54 9.22 9.36 8.45 0.26 0.13 0.13 Cs-CdCdCdCs BOZZELLI =3D Cs/Cs2/Cd2 + (Cs/Cs3/Cd - Cs/Cs4) -581 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cs -582 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs Cs-(Cds-Cdd-Od)CsCsCs -583 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -584 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cs Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs -585 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs -586 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -587 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -588 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs -589 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cs -590 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -591 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -592 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -593 Cs-CtCdsCdsCs Cs-(Cds-Cds)(Cds-Cds)CtCs -594 Cs-(Cds-Od)(Cds-Od)CtCs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs -595 Cs-(Cds-Od)(Cds-Cd)CtCs Cs-(Cds-Od)(Cds-Cds)CtCs -596 Cs-(Cds-Od)(Cds-Cds)CtCs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -597 Cs-(Cds-Od)(Cds-Cdd)CtCs Cs-(Cds-Od)(Cds-Cdd-Cd)CtCs -598 Cs-(Cds-Od)(Cds-Cdd-Od)CtCs Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs -599 Cs-(Cds-Od)(Cds-Cdd-Cd)CtCs Cs-(Cds-Od)(Cds-Cds)CtCs -600 Cs-(Cds-Cd)(Cds-Cd)CtCs Cs-(Cds-Cds)(Cds-Cds)CtCs -601 Cs-(Cds-Cds)(Cds-Cds)CtCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -602 Cs-(Cds-Cdd)(Cds-Cds)CtCs Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCs -603 Cs-(Cds-Cdd-Od)(Cds-Cds)CtCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -604 Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCs Cs-(Cds-Cds)(Cds-Cds)CtCs -605 Cs-(Cds-Cdd)(Cds-Cdd)CtCs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCs -606 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCs Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -607 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCs Cs-(Cds-Cdd-Od)(Cds-Cds)CtCs -608 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCs Cs-(Cds-Cds)(Cds-Cds)CtCs -609 Cs-CbCdsCdsCs Cs-(Cds-Cds)(Cds-Cds)CbCs -610 Cs-(Cds-Od)(Cds-Od)CbCs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs -611 Cs-(Cds-Od)(Cds-Cd)CbCs Cs-(Cds-Od)(Cds-Cds)CbCs -612 Cs-(Cds-Od)(Cds-Cds)CbCs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -613 Cs-(Cds-Od)(Cds-Cdd)CbCs Cs-(Cds-Od)(Cds-Cdd-Cd)CbCs -614 Cs-(Cds-Od)(Cds-Cdd-Od)CbCs Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs -615 Cs-(Cds-Od)(Cds-Cdd-Cd)CbCs Cs-(Cds-Od)(Cds-Cds)CbCs -616 Cs-(Cds-Cd)(Cds-Cd)CbCs Cs-(Cds-Cds)(Cds-Cds)CbCs -617 Cs-(Cds-Cds)(Cds-Cds)CbCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -618 Cs-(Cds-Cdd)(Cds-Cds)CbCs Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCs -619 Cs-(Cds-Cdd-Od)(Cds-Cds)CbCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -620 Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCs Cs-(Cds-Cds)(Cds-Cds)CbCs -621 Cs-(Cds-Cdd)(Cds-Cdd)CbCs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCs -622 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCs Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -623 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCs Cs-(Cds-Cdd-Od)(Cds-Cds)CbCs -624 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCs Cs-(Cds-Cds)(Cds-Cds)CbCs -625 Cs-CtCtCdsCs Cs-(Cds-Cds)CtCtCs -626 Cs-(Cds-Od)CtCtCs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -627 Cs-(Cds-Cd)CtCtCs Cs-(Cds-Cds)CtCtCs -628 Cs-(Cds-Cds)CtCtCs 5.10 -34.88 3.99 7.36 8.89 9.58 9.76 9.16 7.25 0.26 0.13 0.13 Cs-CtCtCdCs BOZZELLI =3D Cs/Cd2/Cs2 + (Cs/Cs3/Ct - Cs/Cs4) -629 Cs-(Cds-Cdd)CtCtCs Cs-(Cds-Cdd-Cd)CtCtCs -630 Cs-(Cds-Cdd-Od)CtCtCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -631 Cs-(Cds-Cdd-Cd)CtCtCs Cs-(Cds-Cds)CtCtCs -632 Cs-CbCtCdsCs Cs-(Cds-Cds)CbCtCs -633 Cs-(Cds-Od)CbCtCs Cs-(Cds-Od)(Cds-Cds)CtCs -634 Cs-(Cds-Cd)CbCtCs Cs-(Cds-Cds)CbCtCs -635 Cs-(Cds-Cds)CbCtCs 5.10 -34.88 3.99 7.36 8.89 9.58 9.76 9.16 7.25 0.26 0.13 0.13 Cs-CbCtCdCs BOZZELLI =3D Cs/Cb/Cd/Cs2 + (Cs/Cs3/Ct - Cs/Cs4) -636 Cs-(Cds-Cdd)CbCtCs Cs-(Cds-Cdd-Cd)CbCtCs -637 Cs-(Cds-Cdd-Od)CbCtCs Cs-(Cds-Cdd-Od)(Cds-Cds)CtCs -638 Cs-(Cds-Cdd-Cd)CbCtCs 5.10 -34.88 3.99 7.36 8.89 9.58 9.76 9.16 7.25 0.26 0.13 0.13 Cs-CbCtCdCs BOZZELLI =3D Cs/Cb/Cd/Cs2 + (Cs/Cs3/Ct - Cs/Cs4) -639 Cs-CbCbCdsCs Cs-(Cds-Cds)CbCbCs -640 Cs-(Cds-Od)CbCbCs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -641 Cs-(Cds-Cd)CbCbCs Cs-(Cds-Cds)CbCbCs -642 Cs-(Cds-Cds)CbCbCs 5.10 -34.88 3.99 7.36 8.89 9.58 9.76 9.16 7.25 0.26 0.13 0.13 Cs-CbCbCdCs BOZZELLI =3D Cs/Cs2/Cb2 + (Cs/Cs3/Cd - Cs/Cs4) -643 Cs-(Cds-Cdd)CbCbCs Cs-(Cds-Cdd-Cd)CbCbCs -644 Cs-(Cds-Cdd-Od)CbCbCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -645 Cs-(Cds-Cdd-Cd)CbCbCs Cs-(Cds-Cds)CbCbCs -646 Cs-CtCtCtCs 6.23 -35.34 4.37 8.11 9.55 10.1 10.03 9.36 6.65 0.26 0.13 0.13 Cs-CtCtCtCs BOZZELLI =3D Cs/Cs2/Ct2 + (Cs/Cs3/Ct - Cs/Cs4) -647 Cs-CbCtCtCs 6.23 -35.34 4.37 8.11 9.55 10.1 10.03 9.36 6.65 0.26 0.13 0.13 Cs-CbCtCtCs BOZZELLI =3D Cs/Cs2/Cb/Ct + (Cs/Cs3/Ct - Cs/Cs4) -648 Cs-CbCbCtCs 6.43 -35.34 4.37 8.11 9.55 10.1 10.03 9.36 6.65 0.26 0.13 0.13 Cs-CbCbCtCs BOZZELLI =3D Cs/Cs2/Cb2 + (Cs/Cs3/Ct - Cs/Cs4) -649 Cs-CbCbCbCs 6.23 -35.34 4.37 8.11 9.55 10.1 10.03 9.36 6.65 0.26 0.13 0.13 Cs-CbCbCbCs BOZZELLI =3D Cs/Cs2/Cb2 + (Cs/Cs3/Cb - Cs/Cs4) -650 Cs-CdsCdsCdsCds Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -651 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Od) Cs-CsCsCsCs -652 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cd) Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) -653 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cs -654 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd) Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Cd) -655 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)CsCsCs -656 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) -657 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)(Cds-Cd) Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -658 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) Cs-(Cds-Od)(Cds-Od)CsCs -659 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cds) Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds) -660 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cs -661 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds) Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -662 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -663 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs -664 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) -665 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -666 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)(Cds-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -667 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) Cs-(Cds-Od)CsCsCs -668 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) -669 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) Cs-(Cds-Od)(Cds-Cdd-Od)CsCs -670 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -671 Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -672 Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -673 Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -674 Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -675 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -676 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -677 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -678 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -679 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) // Would have same value as Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -680 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)(Cds-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -681 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) Cs-CsCsCsCs -682 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) -683 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)CsCsCs -684 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) // Would have same value as Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -685 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -686 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs -687 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -688 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) // Would have same value as Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -689 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -690 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -691 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -692 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -693 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -694 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -695 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -696 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) -697 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -698 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -699 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -700 Cs-CtCdsCdsCds Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -701 Cs-(Cds-Od)(Cds-Od)(Cds-Od)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) -702 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct -703 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -704 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Ct -705 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) -706 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct -707 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct -708 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -709 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Ct Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Ct -710 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -711 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct -712 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Ct Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct -713 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -714 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Ct -715 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct -716 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -717 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -718 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Ct -719 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -720 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -721 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Ct Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct -722 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -723 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct -724 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -725 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Ct Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct -726 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) -727 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct -728 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct -729 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -730 Cs-CbCdsCdsCds Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb -731 Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) -732 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cb -733 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -734 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cb -735 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) -736 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cb -737 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb -738 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -739 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cb Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cb -740 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -741 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb -742 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cb Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb -743 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -744 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cb -745 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb -746 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb -747 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -748 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cb -749 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -750 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb -751 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cb Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb -752 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -753 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cb -754 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb -755 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cb Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb -756 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) -757 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb -758 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cb -759 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb -760 Cs-CtCtCdsCds Cs-(Cds-Cds)(Cds-Cds)CtCt -761 Cs-(Cds-Od)(Cds-Od)CtCt Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -762 Cs-(Cds-Od)(Cds-Cd)CtCt Cs-(Cds-Od)(Cds-Cds)CtCt -763 Cs-(Cds-Od)(Cds-Cds)CtCt Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -764 Cs-(Cds-Od)(Cds-Cdd)CtCt Cs-(Cds-Od)(Cds-Cdd-Cd)CtCt -765 Cs-(Cds-Od)(Cds-Cdd-Od)CtCt Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -766 Cs-(Cds-Od)(Cds-Cdd-Cd)CtCt Cs-(Cds-Od)(Cds-Cds)CtCt -767 Cs-(Cds-Cd)(Cds-Cd)CtCt Cs-(Cds-Cds)(Cds-Cds)CtCt -768 Cs-(Cds-Cds)(Cds-Cds)CtCt 5.48 -34.5 3.61 7.3 8.97 9.69 9.84 9.42 7.36 0.26 0.13 0.13 Cs-CtCtCdCd BOZZELLI =3D Cs/Cs/Cd/Ct2 + (Cs/Cs3/Cd - Cs/Cs4) -769 Cs-(Cds-Cdd)(Cds-Cds)CtCt Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCt -770 Cs-(Cds-Cdd-Od)(Cds-Cds)CtCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -771 Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCt Cs-(Cds-Cds)(Cds-Cds)CtCt // Would have same value as Cs-(Cds-Cds)(Cds-Cds)CtCt -772 Cs-(Cds-Cdd)(Cds-Cdd)CtCt Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCt -773 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -774 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCt Cs-(Cds-Cdd-Od)(Cds-Cds)CtCt -775 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCt Cs-(Cds-Cds)(Cds-Cds)CtCt -776 Cs-CbCtCdsCds Cs-(Cds-Cds)(Cds-Cds)CbCt -777 Cs-(Cds-Od)(Cds-Od)CbCt Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct -778 Cs-(Cds-Od)(Cds-Cd)CbCt Cs-(Cds-Od)(Cds-Cds)CbCt -779 Cs-(Cds-Od)(Cds-Cds)CbCt Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct -780 Cs-(Cds-Od)(Cds-Cdd)CbCt Cs-(Cds-Od)(Cds-Cdd-Cd)CbCt -781 Cs-(Cds-Od)(Cds-Cdd-Od)CbCt Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Ct -782 Cs-(Cds-Od)(Cds-Cdd-Cd)CbCt Cs-(Cds-Od)(Cds-Cds)CbCt -783 Cs-(Cds-Cd)(Cds-Cd)CbCt Cs-(Cds-Cds)(Cds-Cds)CbCt -784 Cs-(Cds-Cds)(Cds-Cds)CbCt 5.48 -34.5 3.61 7.3 8.97 9.69 9.84 9.42 7.36 0.26 0.13 0.13 Cs-CbCtCdCd BOZZELLI =3D Cs/Cs/Cb/Cd2 + (Cs/Cs3/Ct - Cs/Cs4) -785 Cs-(Cds-Cdd)(Cds-Cds)CbCt Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCt -786 Cs-(Cds-Cdd-Od)(Cds-Cds)CbCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct -787 Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCt Cs-(Cds-Cds)(Cds-Cds)CbCt -788 Cs-(Cds-Cdd)(Cds-Cdd)CbCt Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCt -789 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCt Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct -790 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCt Cs-(Cds-Cdd-Od)(Cds-Cds)CbCt -791 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCt Cs-(Cds-Cds)(Cds-Cds)CbCt -792 Cs-CbCbCdsCds Cs-(Cds-Cds)(Cds-Cds)CbCb -793 Cs-(Cds-Od)(Cds-Od)CbCb Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -794 Cs-(Cds-Od)(Cds-Cd)CbCb Cs-(Cds-Od)(Cds-Cds)CbCb -795 Cs-(Cds-Od)(Cds-Cds)CbCb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -796 Cs-(Cds-Od)(Cds-Cdd)CbCb Cs-(Cds-Od)(Cds-Cdd-Cd)CbCb -797 Cs-(Cds-Od)(Cds-Cdd-Od)CbCb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -798 Cs-(Cds-Od)(Cds-Cdd-Cd)CbCb Cs-(Cds-Od)(Cds-Cds)CbCb -799 Cs-(Cds-Cd)(Cds-Cd)CbCb Cs-(Cds-Cds)(Cds-Cds)CbCb -800 Cs-(Cds-Cds)(Cds-Cds)CbCb 5.48 -34.5 3.61 7.3 8.97 9.69 9.84 9.42 7.36 0.26 0.13 0.13 Cs-CbCbCdCd BOZZELLI =3D Cs/Cs/Cb2/Cd + (Cs/Cs3/Cd - Cs/Cs4) -801 Cs-(Cds-Cdd)(Cds-Cds)CbCb Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCb -802 Cs-(Cds-Cdd-Od)(Cds-Cds)CbCb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -803 Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCb Cs-(Cds-Cds)(Cds-Cds)CbCb -804 Cs-(Cds-Cdd)(Cds-Cdd)CbCb Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCb -805 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -806 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCb Cs-(Cds-Cdd-Od)(Cds-Cds)CbCb -807 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCb Cs-(Cds-Cds)(Cds-Cds)CbCb -808 Cs-CtCtCtCds Cs-(Cds-Cds)CtCtCt -809 Cs-(Cds-Od)CtCtCt Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -810 Cs-(Cds-Cds)CtCtCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -811 Cs-(Cds-Cdd)CtCtCt Cs-(Cds-Cdd-Cd)CtCtCt -812 Cs-(Cds-Cdd-Od)CtCtCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -813 Cs-(Cds-Cdd-Cd)CtCtCt Cs-(Cds-Cds)CtCtCt // Would have same value as Cs-(Cds-Cds)CtCtCt -814 Cs-CbCtCtCds Cs-(Cds-Cds)CbCtCt -815 Cs-(Cds-Od)CbCtCt Cs-(Cds-Od)(Cds-Cds)CtCt -816 Cs-(Cds-Cd)CbCtCt Cs-(Cds-Cds)CbCtCt -817 Cs-(Cds-Cds)CbCtCt Cs-(Cds-Cds)(Cds-Cds)CtCt -818 Cs-(Cds-Cdd)CbCtCt Cs-(Cds-Cdd-Cd)CbCtCt -819 Cs-(Cds-Cdd-Od)CbCtCt Cs-(Cds-Cdd-Od)(Cds-Cds)CtCt -820 Cs-(Cds-Cdd-Cd)CbCtCt Cs-(Cds-Cds)CbCtCt -821 Cs-CbCbCtCds Cs-(Cds-Cds)CbCbCt -822 Cs-(Cds-Od)CbCbCt Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct -823 Cs-(Cds-Cd)CbCbCt Cs-(Cds-Cds)CbCbCt -824 Cs-(Cds-Cds)CbCbCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -825 Cs-(Cds-Cdd)CbCbCt Cs-(Cds-Cdd-Cd)CbCbCt -826 Cs-(Cds-Cdd-Od)CbCbCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct -827 Cs-(Cds-Cdd-Cd)CbCbCt Cs-(Cds-Cds)CbCbCt -828 Cs-CbCbCbCds Cs-(Cds-Cds)CbCbCb -829 Cs-(Cds-Od)CbCbCb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -830 Cs-(Cds-Cd)CbCbCb Cs-(Cds-Cds)CbCbCb -831 Cs-(Cds-Cds)CbCbCb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -832 Cs-(Cds-Cdd)CbCbCb Cs-(Cds-Cdd-Cd)CbCbCb -833 Cs-(Cds-Cdd-Od)CbCbCb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -834 Cs-(Cds-Cdd-Cd)CbCbCb Cs-(Cds-Cds)CbCbCb -835 Cs-CtCtCtCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -836 Cs-CbCtCtCt Cs-(Cds-Cds)CtCtCt -837 Cs-CbCbCtCt Cs-(Cds-Cds)(Cds-Cds)CtCt -838 Cs-CbCbCbCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -839 Cs-CbCbCbCb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -840 Cs-CCCOs Cs-CsCsCsOs -841 Cs-CsCsCsOs -6.6 -33.56 4.33 6.19 7.25 7.7 8.2 8.24 8.24 0.4 0.2 0.2 Cs-OCsCsCs BENSON !!!WARNING! Cp1500 value taken as Cp1000 -842 Cs-CdsCsCsOs Cs-(Cds-Cds)CsCsOs -843 Cs-(Cds-Od)CsCsOs -3.6 -34.72 3.99 6.04 7.43 8.26 8.92 8.96 8.23 0.4 0.2 0.2 "Cs-OCOCsCs Hf BENSON S,Cp =3D C/Cd/C3" -844 Cs-(Cds-Cd)CsCsOs Cs-(Cds-Cds)CsCsOs -845 Cs-(Cds-Cds)CsCsOs -6.6 -32.56 4.63 6.79 7.95 8.4 8.8 8.44 8.44 0.4 0.2 0.2 "Cs-OCdCsCs BOZZELLI C/C3/O - (C/C3/H - C/Cb/C2/H), Hf-1 !!!WARNING! Cp1500 value taken as Cp1000" -846 Cs-(Cds-Cdd)CsCsOs Cs-(Cds-Cdd-Cd)CsCsOs -847 Cs-(Cds-Cdd-Od)CsCsOs -9.725 -36.50 8.39 9.66 10.03 10.07 9.64 9.26 8.74 0.4 0.2 0.2 {C/CCO/O/C2} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -848 Cs-(Cds-Cdd-Cd)CsCsOs Cs-(Cds-Cds)CsCsOs -849 Cs-OsCtCsCs Cs-(Cds-Cds)CsCsOs -850 Cs-CbCsCsOs -6.6 -32.56 4.63 6.79 7.95 8.4 8.8 8.44 8.44 0.4 0.2 0.2 "Cs-OCbCsCs BOZZELLI C/C3/O - (C/C3/H - C/Cb/C2/H), Hf-1 !!!WARNING! Cp1500 value taken as Cp1000" -851 Cs-CdsCdsCsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -852 Cs-(Cds-Od)(Cds-Od)CsOs Cs-CsCsCsOs -853 Cs-(Cds-Od)(Cds-Cd)CsOs Cs-(Cds-Od)(Cds-Cds)CsOs -854 Cs-(Cds-Od)(Cds-Cds)CsOs Cs-(Cds-Od)CsCsOs -855 Cs-(Cds-Od)(Cds-Cdd)CsOs Cs-(Cds-Od)(Cds-Cdd-Cd)CsOs -856 Cs-(Cds-Od)(Cds-Cdd-Od)CsOs Cs-(Cds-Cdd-Od)CsCsOs -857 Cs-(Cds-Od)(Cds-Cdd-Cd)CsOs Cs-(Cds-Od)(Cds-Cds)CsOs -858 Cs-(Cds-Cd)(Cds-Cd)CsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -859 Cs-(Cds-Cds)(Cds-Cds)CsOs -8.01 -34.34 3.61 5.98 7.51 8.37 9 9.02 8.34 0.4 0.2 0.2 "Cs-OCdCdCs Hf jwb 697 S,Cp from C/Cd2/C2" -860 Cs-(Cds-Cdd)(Cds-Cds)CsOs Cs-(Cds-Cdd-Cd)(Cds-Cds)CsOs -861 Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs Cs-(Cds-Cdd-Od)CsCsOs -862 Cs-(Cds-Cdd-Cd)(Cds-Cds)CsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -863 Cs-(Cds-Cdd)(Cds-Cdd)CsOs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsOs -864 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -865 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsOs Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs -866 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -867 Cs-CtCdsCsOs Cs-(Cds-Cds)CtCsOs -868 Cs-(Cds-Od)CtCsOs Cs-(Cds-Od)(Cds-Cds)CsOs -869 Cs-(Cds-Cd)CtCsOs Cs-(Cds-Cds)CtCsOs -870 Cs-(Cds-Cds)CtCsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -871 Cs-(Cds-Cdd)CtCsOs Cs-(Cds-Cdd-Cd)CtCsOs -872 Cs-(Cds-Cdd-Od)CtCsOs Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs -873 Cs-(Cds-Cdd-Cd)CtCsOs Cs-(Cds-Cds)CtCsOs -874 Cs-CbCdsCsOs Cs-(Cds-Cds)CbCsOs -875 Cs-(Cds-Od)CbCsOs Cs-(Cds-Od)(Cds-Cds)CsOs -876 Cs-(Cds-Cd)CbCsOs Cs-(Cds-Cds)CbCsOs -877 Cs-(Cds-Cds)CbCsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -878 Cs-(Cds-Cdd)CbCsOs Cs-(Cds-Cdd-Cd)CbCsOs -879 Cs-(Cds-Cdd-Od)CbCsOs Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs -880 Cs-(Cds-Cdd-Cd)CbCsOs Cs-(Cds-Cds)CbCsOs -881 Cs-CtCtCsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -882 Cs-CbCtCsOs Cs-(Cds-Cds)CtCsOs -883 Cs-CbCbCsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -884 Cs-CdsCdsCdsOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -885 Cs-(Cds-Od)(Cds-Od)(Cds-Od)Os Cs-CsCsCsOs -886 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Os Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os -887 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os Cs-(Cds-Od)(Cds-Od)CsOs -888 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Os Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Os -889 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Os Cs-(Cds-Cdd-Od)CsCsOs -890 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Os Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os -891 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Os Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -892 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os Cs-(Cds-Od)CsCsOs -893 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Os Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Os -894 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os Cs-(Cds-Od)(Cds-Cdd-Od)CsOs -895 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Os Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -896 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Os Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os -897 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsOs -898 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os -899 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -900 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -901 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os Cs-CsCsCsOs -902 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Os -903 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os Cs-(Cds-Cdd-Od)CsCsOs -904 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -905 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Os Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os -906 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsOs -907 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -908 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -909 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Os Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os -910 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -911 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os -912 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -913 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -914 Cs-CtCdsCdsOs Cs-(Cds-Cds)(Cds-Cds)CtOs -915 Cs-(Cds-Od)(Cds-Od)CtOs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os -916 Cs-(Cds-Od)(Cds-Cd)CtOs Cs-(Cds-Od)(Cds-Cds)CtOs -917 Cs-(Cds-Od)(Cds-Cds)CtOs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -918 Cs-(Cds-Od)(Cds-Cdd)CtOs Cs-(Cds-Od)(Cds-Cdd-Cd)CtOs -919 Cs-(Cds-Od)(Cds-Cdd-Od)CtOs Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os -920 Cs-(Cds-Od)(Cds-Cdd-Cd)CtOs Cs-(Cds-Od)(Cds-Cds)CtOs -921 Cs-(Cds-Cd)(Cds-Cd)CtOs Cs-(Cds-Cds)(Cds-Cds)CtOs -922 Cs-(Cds-Cds)(Cds-Cds)CtOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -923 Cs-(Cds-Cdd)(Cds-Cds)CtOs Cs-(Cds-Cdd-Cd)(Cds-Cds)CtOs -924 Cs-(Cds-Cdd-Od)(Cds-Cds)CtOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -925 Cs-(Cds-Cdd-Cd)(Cds-Cds)CtOs Cs-(Cds-Cds)(Cds-Cds)CtOs -926 Cs-(Cds-Cdd)(Cds-Cdd)CtOs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtOs -927 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtOs Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os -928 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtOs Cs-(Cds-Cdd-Od)(Cds-Cds)CtOs -929 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtOs Cs-(Cds-Cds)(Cds-Cds)CtOs -930 Cs-CbCdsCdsOs Cs-(Cds-Cds)(Cds-Cds)CbOs -931 Cs-(Cds-Od)(Cds-Od)CbOs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os -932 Cs-(Cds-Od)(Cds-Cd)CbOs Cs-(Cds-Od)(Cds-Cds)CbOs -933 Cs-(Cds-Od)(Cds-Cds)CbOs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -934 Cs-(Cds-Od)(Cds-Cdd)CbOs Cs-(Cds-Od)(Cds-Cdd-Cd)CbOs -935 Cs-(Cds-Od)(Cds-Cdd-Od)CbOs Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os -936 Cs-(Cds-Od)(Cds-Cdd-Cd)CbOs Cs-(Cds-Od)(Cds-Cds)CbOs -937 Cs-(Cds-Cd)(Cds-Cd)CbOs Cs-(Cds-Cds)(Cds-Cds)CbOs -938 Cs-(Cds-Cds)(Cds-Cds)CbOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -939 Cs-(Cds-Cdd)(Cds-Cds)CbOs Cs-(Cds-Cdd-Cd)(Cds-Cds)CbOs -940 Cs-(Cds-Cdd-Od)(Cds-Cds)CbOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -941 Cs-(Cds-Cdd-Cd)(Cds-Cds)CbOs Cs-(Cds-Cds)(Cds-Cds)CbOs -942 Cs-(Cds-Cdd)(Cds-Cdd)CbOs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbOs -943 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbOs Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os -944 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbOs Cs-(Cds-Cdd-Od)(Cds-Cds)CbOs -945 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbOs Cs-(Cds-Cds)(Cds-Cds)CbOs -946 Cs-CtCtCdsOs Cs-(Cds-Cds)CtCtOs -947 Cs-(Cds-Od)CtCtOs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -948 Cs-(Cds-Cd)CtCtOs Cs-(Cds-Cds)CtCtOs -949 Cs-(Cds-Cds)CtCtOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -950 Cs-(Cds-Cdd)CtCtOs Cs-(Cds-Cdd-Cd)CtCtOs -951 Cs-(Cds-Cdd-Od)CtCtOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -952 Cs-(Cds-Cdd-Cd)CtCtOs Cs-(Cds-Cds)CtCtOs -953 Cs-CbCtCdsOs Cs-(Cds-Cds)CbCtOs -954 Cs-(Cds-Od)CbCtOs Cs-(Cds-Od)(Cds-Cds)CtOs -955 Cs-(Cds-Cd)CbCtOs Cs-(Cds-Cds)CbCtOs -956 Cs-(Cds-Cds)CbCtOs Cs-(Cds-Cds)(Cds-Cds)CtOs -957 Cs-(Cds-Cdd)CbCtOs Cs-(Cds-Cdd-Cd)CbCtOs -958 Cs-(Cds-Cdd-Od)CbCtOs Cs-(Cds-Cdd-Od)(Cds-Cds)CtOs -959 Cs-(Cds-Cdd-Cd)CbCtOs Cs-(Cds-Cds)CbCtOs -960 Cs-CbCbCdsOs Cs-(Cds-Cds)CbCbOs -961 Cs-(Cds-Od)CbCbOs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -962 Cs-(Cds-Cd)CbCbOs Cs-(Cds-Cds)CbCbOs -963 Cs-(Cds-Cds)CbCbOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -964 Cs-(Cds-Cdd)CbCbOs Cs-(Cds-Cdd-Cd)CbCbOs -965 Cs-(Cds-Cdd-Od)CbCbOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -966 Cs-(Cds-Cdd-Cd)CbCbOs Cs-(Cds-Cds)CbCbOs -967 Cs-CtCtCtOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -968 Cs-CbCtCtOs Cs-(Cds-Cds)CtCtOs -969 Cs-CbCbCtOs Cs-(Cds-Cds)(Cds-Cds)CtOs -970 Cs-CbCbCbOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -971 Cs-CCOsOs Cs-CsCsOsOs -972 Cs-CsCsOsOs -9.77 -33.18 3.8 6.09 7.3 7.78 8.24 8.24 8.24 0.4 0.2 0.2 Cs-OOCsCs BOZZELLI =3D C/C3/O - (C/C2/H2 - C/C/H2/O) !!!WARNING! Cp1500 value taken as Cp1000 -973 Cs-CdsCsOsOs Cs-(Cds-Cds)CsOsOs -974 Cs-(Cds-Od)CsOsOs Cs-CsCsOsOs -975 Cs-(Cds-Cd)CsOsOs Cs-(Cds-Cds)CsOsOs -976 Cs-(Cds-Cds)CsOsOs Cs-CsCsOsOs -977 Cs-(Cds-Cdd)CsOsOs Cs-(Cds-Cdd-Cd)CsOsOs -978 Cs-(Cds-Cdd-Od)CsOsOs Cs-(Cds-Cds)CsOsOs -979 Cs-(Cds-Cdd-Cd)CsOsOs Cs-(Cds-Cds)CsOsOs -980 Cs-CdsCdsOsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -981 Cs-(Cds-Od)(Cds-Od)OsOs Cs-CsCsOsOs -982 Cs-(Cds-Od)(Cds-Cd)OsOs Cs-(Cds-Od)(Cds-Cds)OsOs -983 Cs-(Cds-Od)(Cds-Cds)OsOs Cs-(Cds-Od)CsOsOs -984 Cs-(Cds-Od)(Cds-Cdd)OsOs Cs-(Cds-Od)(Cds-Cdd-Cd)OsOs -985 Cs-(Cds-Od)(Cds-Cdd-Od)OsOs Cs-(Cds-Cdd-Od)CsOsOs -986 Cs-(Cds-Od)(Cds-Cdd-Cd)OsOs Cs-(Cds-Od)(Cds-Cds)OsOs -987 Cs-(Cds-Cd)(Cds-Cd)OsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -988 Cs-(Cds-Cds)(Cds-Cds)OsOs Cs-CsCsOsOs -989 Cs-(Cds-Cdd)(Cds-Cds)OsOs Cs-(Cds-Cdd-Cd)(Cds-Cds)OsOs -990 Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs Cs-(Cds-Cdd-Od)CsOsOs -991 Cs-(Cds-Cdd-Cd)(Cds-Cds)OsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -992 Cs-(Cds-Cdd)(Cds-Cdd)OsOs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsOs -993 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -994 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsOs Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs -995 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -996 Cs-CtCsOsOs Cs-(Cds-Cds)CsOsOs -997 Cs-CtCdsOsOs Cs-(Cds-Cds)CtOsOs -998 Cs-(Cds-Od)CtOsOs Cs-(Cds-Od)(Cds-Cds)OsOs -999 Cs-(Cds-Cd)CtOsOs Cs-(Cds-Cds)CtOsOs -1000 Cs-(Cds-Cds)CtOsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -1001 Cs-(Cds-Cdd)CtOsOs Cs-(Cds-Cdd-Cd)CtOsOs -1002 Cs-(Cds-Cdd-Od)CtOsOs Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs -1003 Cs-(Cds-Cdd-Cd)CtOsOs Cs-(Cds-Cds)CtOsOs -1004 Cs-CtCtOsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -1005 Cs-CbCsOsOs Cs-(Cds-Cds)CsOsOs -1006 Cs-CbCdsOsOs Cs-(Cds-Cds)CbOsOs -1007 Cs-(Cds-Od)CbOsOs Cs-(Cds-Od)(Cds-Cds)OsOs -1008 Cs-(Cds-Cd)CbOsOs Cs-(Cds-Cds)CbOsOs -1009 Cs-(Cds-Cds)CbOsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -1010 Cs-(Cds-Cdd)CbOsOs Cs-(Cds-Cdd-Cd)CbOsOs -1011 Cs-(Cds-Cdd-Od)CbOsOs Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs -1012 Cs-(Cds-Cdd-Cd)CbOsOs Cs-(Cds-Cds)CbOsOs -1013 Cs-CbCtOsOs Cs-(Cds-Cds)CtOsOs -1014 Cs-CbCbOsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -1015 Cs-COsOsOs Cs-CsOsOsOs -1016 Cs-CsOsOsOs -19 -33.56 4.33 6.19 7.25 7.7 8.2 8.24 8.24 0.4 0.2 0.2 Cs-OOOCs BOZZELLI est !!!WARNING! Cp1500 value taken as Cp1000 -1017 Cs-CdsOsOsOs Cs-(Cds-Cds)OsOsOs -1018 Cs-(Cds-Od)OsOsOs Cs-CsOsOsOs -1019 Cs-(Cds-Cd)OsOsOs Cs-(Cds-Cds)OsOsOs -1020 Cs-(Cds-Cds)OsOsOs Cs-CsOsOsOs -1021 Cs-(Cds-Cdd)OsOsOs Cs-(Cds-Cdd-Cd)OsOsOs -1022 Cs-(Cds-Cdd-Od)OsOsOs Cs-(Cds-Cds)OsOsOs -1023 Cs-(Cds-Cdd-Cd)OsOsOs Cs-(Cds-Cds)OsOsOs -1024 Cs-CtOsOsOs Cs-(Cds-Cds)OsOsOs -1025 Cs-CbOsOsOs Cs-(Cds-Cds)OsOsOs -1026 Cs-OsOsOsOs -23 -35.56 4.33 6.13 7.25 7.7 8.2 8.24 8.24 0.4 0.2 0.2 Cs-OOOO BOZZELLI est !!!WARNING! Cp1500 value taken as Cp1000 -1027 Cs-COsOsH Cs-CsOsOsH -1028 Cs-CsOsOsH -16 -12.07 5.25 7.1 8.81 9.55 10.31 11.05 11.05 0.24 0.12 0.12 "Cs-OOCsH BENSON Hf, BOZZELLI C/C3/H - C/C2/O/H !!!WARNING! Cp1500 value taken as Cp1000" -1029 Cs-CdsOsOsH Cs-(Cds-Cds)OsOsH -1030 Cs-(Cds-Od)OsOsH Cs-CsOsOsH -1031 Cs-(Cds-Cd)OsOsH Cs-(Cds-Cds)OsOsH -1032 Cs-(Cds-Cds)OsOsH Cs-CsOsOsH -1033 Cs-(Cds-Cdd)OsOsH Cs-(Cds-Cdd-Cd)OsOsH -1034 Cs-(Cds-Cdd-Od)OsOsH Cs-(Cds-Cds)OsOsH -1035 Cs-(Cds-Cdd-Cd)OsOsH Cs-(Cds-Cds)OsOsH -1036 Cs-CtOsOsH Cs-(Cds-Cds)OsOsH -1037 Cs-CbOsOsH Cs-(Cds-Cds)OsOsH -1038 Cs-CCOsH Cs-CsCsOsH -1039 Cs-CsCsOsH -7.2 -11 4.8 6.64 8.1 8.73 9.81 10.4 11.51 0.24 0.12 0.12 Cs-OCsCs BENSON: Cp1500 =3D Cp1000*(Cp1500/Cp1000: C/C2Cd/H) -1040 Cs-CdsCsOsH Cs-(Cds-Cds)CsOsH -1041 Cs-(Cds-Od)CsOsH -6.0 -11.1 4.47 6.82 8.45 9.17 10.24 10.8 11.02 0.24 0.12 0.12 Cs-OCOCsH BOZZELLI -1042 Cs-(Cds-Cd)CsOsH Cs-(Cds-Cds)CsOsH -1043 Cs-(Cds-Cds)CsOsH -6.0 -11.1 4.47 6.82 8.45 9.17 10.24 10.8 11.02 0.24 0.12 0.12 Cs-OCdCsH BOZZELLI -1044 Cs-(Cds-Cdd)CsOsH Cs-(Cds-Cdd-Cd)CsOsH -1045 Cs-(Cds-Cdd-Od)CsOsH -8.370 -13.04 7.20 8.49 9.33 9.92 10.5 10.92 11.71 0.24 0.12 0.12 {C/CCO/O/C/H} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -1046 Cs-(Cds-Cdd-Cd)CsOsH Cs-(Cds-Cds)CsOsH -1047 Cs-CdsCdsOsH Cs-(Cds-Cds)(Cds-Cds)OsH -1048 Cs-(Cds-Od)(Cds-Od)OsH Cs-CsCsOsH -1049 Cs-(Cds-Od)(Cds-Cd)OsH Cs-(Cds-Od)(Cds-Cds)OsH -1050 Cs-(Cds-Od)(Cds-Cds)OsH Cs-(Cds-Od)CsOsH -1051 Cs-(Cds-Od)(Cds-Cdd)OsH Cs-(Cds-Od)(Cds-Cdd-Cd)OsH -1052 Cs-(Cds-Od)(Cds-Cdd-Od)OsH Cs-(Cds-Cdd-Od)CsOsH -1053 Cs-(Cds-Od)(Cds-Cdd-Cd)OsH Cs-(Cds-Od)(Cds-Cds)OsH -1054 Cs-(Cds-Cd)(Cds-Cd)OsH Cs-(Cds-Cds)(Cds-Cds)OsH -1055 Cs-(Cds-Cds)(Cds-Cds)OsH -6.67 -10.42 4.21 6.6 8.26 9.05 10.23 10.86 11.04 0.24 0.12 0.12 Cs-OCdCdH BOZZELLI -1056 Cs-(Cds-Cdd)(Cds-Cds)OsH Cs-(Cds-Cdd-Cd)(Cds-Cds)OsH -1057 Cs-(Cds-Cdd-Od)(Cds-Cds)OsH Cs-(Cds-Cdd-Od)CsOsH -1058 Cs-(Cds-Cdd-Cd)(Cds-Cds)OsH Cs-(Cds-Cds)(Cds-Cds)OsH -1059 Cs-(Cds-Cdd)(Cds-Cdd)OsH Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsH -1060 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsH Cs-(Cds-Cds)(Cds-Cds)OsH -1061 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsH Cs-(Cds-Cdd-Od)(Cds-Cds)OsH -1062 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsH Cs-(Cds-Cds)(Cds-Cds)OsH -1063 Cs-CtCsOsH Cs-(Cds-Cds)CsOsH -1064 Cs-CtCdsOsH Cs-(Cds-Cds)CtOsH -1065 Cs-(Cds-Od)CtOsH Cs-(Cds-Od)(Cds-Cds)OsH -1066 Cs-(Cds-Cd)CtOsH Cs-(Cds-Cds)CtOsH -1067 Cs-(Cds-Cds)CtOsH Cs-(Cds-Cds)(Cds-Cds)OsH -1068 Cs-(Cds-Cdd)CtOsH Cs-(Cds-Cdd-Cd)CtOsH -1069 Cs-(Cds-Cdd-Od)CtOsH Cs-(Cds-Cdd-Od)(Cds-Cds)OsH -1070 Cs-(Cds-Cdd-Cd)CtOsH Cs-(Cds-Cds)CtOsH -1071 Cs-CtCtOsH Cs-(Cds-Cds)(Cds-Cds)OsH -1072 Cs-CbCsOsH -6.0 -11.1 4.47 6.82 8.45 9.17 10.24 10.8 11.02 0.24 0.12 0.12 Cs-OCbCsH BOZZELLI =3D C/Cd/C/H/O Jul 91 -1073 Cs-CbCdsOsH Cs-(Cds-Cds)CbOsH -1074 Cs-(Cds-Od)CbOsH Cs-(Cds-Od)(Cds-Cds)OsH -1075 Cs-(Cds-Cd)CbOsH Cs-(Cds-Cds)CbOsH -1076 Cs-(Cds-Cds)CbOsH Cs-(Cds-Cds)(Cds-Cds)OsH -1077 Cs-(Cds-Cdd)CbOsH Cs-(Cds-Cdd-Cd)CbOsH -1078 Cs-(Cds-Cdd-Od)CbOsH Cs-(Cds-Cdd-Od)(Cds-Cds)OsH -1079 Cs-(Cds-Cdd-Cd)CbOsH Cs-(Cds-Cds)CbOsH -1080 Cs-CbCtOsH Cs-(Cds-Cds)CtOsH -1081 Cs-CbCbOsH Cs-(Cds-Cds)(Cds-Cds)OsH -1082 Cs-COsHH Cs-CsOsHH -1083 Cs-CsOsHH -8.1 9.8 4.99 6.85 8.3 9.43 11.11 12.33 12.33 0.2 0.1 0.1 Cs-OCsHH BENSON !!!WARNING! Cp1500 value taken as Cp1000 -1084 Cs-CdsOsHH Cs-(Cds-Cds)OsHH -1085 Cs-(Cds-Od)OsHH -5.28 10.17 2.95 6.74 8.53 9.8 11.61 12.65 14.4 0.2 0.1 0.1 Cs-OCOHH jwl 99 cdsQ cc*ocq -1086 Cs-(Cds-Cd)OsHH Cs-(Cds-Cds)OsHH -1087 Cs-(Cds-Cds)OsHH -6.76 9.8 5.12 6.86 8.32 9.49 11.22 12.48 14.4 0.2 0.1 0.1 Cs-OCdHH BOZZELLI Hf PEDLEY c*ccoh C/C/Cd/H2 -1088 Cs-(Cds-Cdd)OsHH Cs-(Cds-Cdd-Cd)OsHH -1089 Cs-(Cds-Cdd-Od)OsHH -8.680 8.43 7.15 8.67 9.75 10.65 11.93 12.97 14.86 0.2 0.1 0.1 {C/CCO/O/H2} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -1090 Cs-(Cds-Cdd-Cd)OsHH Cs-(Cds-Cds)OsHH -1091 Cs-CtOsHH -6.76 9.8 5.12 6.86 8.32 9.49 11.22 12.48 14.4 0.2 0.1 0.1 Cs-OCtHH BOZZELLI assigned C/Cd/H2/O -1092 Cs-CbOsHH Cs-(Cds-Cds)OsHH - -1093 O Os-CsCs -1094 Od Od-Cd -1095 Od-Cd 0 0 0 0 0 0 0 0 0 0 0 0 In this case the C is treated as the central atom -1096 Od-Od 0 25.19 3.5 3.61 3.72 3.825 4.035 4.175 4.36 0.001 0 0 "O2 Kee et al., SAND87-8215B, 1994", we cut it half to account for adding two single Od groups, also the symmetric number is considered too. S(group) = (S(o2) + Rln(sigma))/2 -// 1096 Od-Od 14.01 24.085 3.5 3.575 3.685 3.8 3.99 4.12 4.29 0 0 0 A. Vandeputte pipo's! (?) -1097 Os Os-(Cds-Cd)(Cds-Cd) -1098 Os-HH -57.8 46.51 8.03 8.19 8.42 8.68 9.26 9.86 11.26 0.01 0.002 0 O-HH WATER. !!!Using NIST value for H2O, S(group) = S(H2O) + Rln(2) -1099 Os-OsH -16.3 27.83 5.21 5.72 6.17 6.66 7.15 7.61 8.43 0.14 0.07 0.07 O-OH SANDIA 1/2*H2O2 -1100 Os-OsOs 8.85 9.4 2.2 3.64 4.2 4.34 4.62 4.9 4.9 0.16 0.1 0.1 O-OO LAY 1997=20 !!!WARNING! Cp1500 value taken as Cp1000 -1101 Os-CH Os-CsH -1102 Os-CtH -37.9 29.1 4.3 4.5 4.82 5.23 6.02 6.61 7.44 0.16 0.1 0.1 O-CtH BENSON (Assigned O-CsH) -1103 Os-CdsH Os-(Cds-Cd)H -1104 Os-(Cds-Od)H -58.1 24.5 3.8 5 5.8 6.3 7.2 7.8 7.8 0.16 0.1 0.1 O-COH !!!WARNING! Cp1500 value taken as Cp1000 -1105 Os-(Cds-Cd)H -37.9 29.1 4.3 4.5 4.82 5.23 6.02 6.61 7.44 0.16 0.1 0.1 O-CdH BENSON (Assigned O-CsH) -1106 Os-CsH -37.9 29.07 4.3 4.5 4.82 5.23 6.02 6.61 7.44 0.2 0.1 0.1 O-CsH BENSON -1107 Os-CbH -37.9 29.1 4.3 4.5 4.82 5.23 6.02 6.61 7.44 0.16 0.1 0.1 O-CbH BENSON (Assigned O-CsH) -1108 Os-OsC Os-OsCs -1109 Os-OsCt 7.0 10.8 3.9 4.31 4.6 4.84 5.32 5.8 5.8 0.3 0.15 0.15 "O-OCb Hf JWB plot S,Cp assigned O/O/Cd !!!WARNING! Cp1500 value taken as Cp1000" -1110 Os-OsCds Os-Os(Cds-Cd) -1111 Os-Os(Cds-Od) -23.22 9.11 3.53 5.02 5.79 6.08 6.54 6.49 6.49 0.3 0.15 0.15 O-OCO jwl cbsQ 99 cqcho=20 !!!WARNING! Cp1500 value taken as Cp1000 -1112 Os-Os(Cds-Cd) 1.64 10.12 3.5 3.87 3.95 4.15 4.73 4.89 4.89 0.3 0.15 0.15 "O-OCd WESTMORELAND S,Cp LAY'9405 !!!WARNING! Cp1500 value taken as Cp1000" -1113 Os-OsCs -5.40 8.54 3.9 4.31 4.6 4.84 5.32 5.8 5.8 0.3 0.15 0.15 O-OCs LAY 1997 !!!WARNING! Cp1500 value taken as Cp1000 -1114 Os-OsCb Os-Os(Cds-Cd) -1115 Os-CC Os-(Cds-Cd)(Cds-Cd) -1116 Os-CtCt Os-(Cds-Cd)(Cds-Cd) -1117 Os-CtCds Os-(Cds-Cd)(Cds-Cd) -1118 Os-Ct(Cds-Od) Os-(Cds-Cd)(Cds-Cd) -1119 Os-Ct(Cds-Cd) Os-(Cds-Cd)(Cds-Cd) -1120 Os-CtCs Os-Cs(Cds-Cd) -1121 Os-CtCb Os-(Cds-Cd)(Cds-Cd) -1122 Os-CdsCds Os-(Cds-Cd)(Cds-Cd) -1123 Os-(Cds-Od)(Cds-Od) -46.00 2.5 3.45 4.74 5.28 5.74 5.89 6.1 6.1 0.19 0.1 0.1 "O-COCO Hf BENSON S,Cp Mopac=3D" -1124 Os-(Cds-Od)(Cds-Cd) Os-(Cds-Cd)(Cds-Cd) -1125 Os-(Cds-Cd)(Cds-Cd) -19.61 10 3.4 3.7 3.7 3.8 4.4 4.6 4.8 0.19 0.1 0.1 O-CdCd BOZZELLI//sandeep has changes the value of H on 07/20/04 based on expt value of divinylether. -1126 Os-CdsCs Os-Cs(Cds-Cd) -1127 Os-Cs(Cds-Od) -42.19 8.4 3.91 4.31 4.6 4.84 5.32 5.8 5.8 0.19 0.1 0.1 "O-COCs BOZZELLI Jul91 S,Cp ABaldwin O/Cs/O !!!WARNING! Cp1500 value taken as Cp1000" -1128 Os-Cs(Cds-Cd) -23.73 9.7 3.91 4.31 4.6 4.84 5.32 5.8 5.8 0.19 0.1 0.1 O-CdCs Hf RADOM vin-oh S A.Baldwin O/Cs/O !!!WARNING! Cp1500 value taken as Cp1000 -1129 Os-CsCs -23.20 8.68 3.40 3.70 3.70 3.80 4.40 4.60 4.60 0.19 0.1 0.1 O-CsCs BENSON !!!WARNING! Cp1500 value taken as Cp1000 -1130 Os-CsCb -22.60 9.70 3.40 3.70 3.70 3.80 4.40 4.60 4.60 0.19 0.1 0.1 "O-CbCs REID, PRAUSNITZ and SHERWOOD !!!WARNING! Cp1500 value taken as Cp1000" -1131 Os-CbCb -18.77 13.59 1.19 -0.24 -0.72 -0.51 0.43 1.36 1.75 0.19 0.1 0.1 "O-CbCb CHERN 1/97 Hf PEDLEY, Mopac" - -1400 S Ss-CsCs -1132 Ss-HH -5.37 50.52 8.15 8.48 8.85 9.26 10.08 10.82 12.10 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1133 Ss-CsH 5.05 33.68 6.17 6.22 6.40 6.65 7.18 7.65 8.45 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1134 Ss-CdH 4.19 32.23 6.01 6.82 7.28 7.55 7.90 8.18 8.70 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1135 Ss-CtH 6.27 31.59 6.22 6.87 7.26 7.55 7.94 8.24 8.73 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1136 Ss-CbH 3.91 31.98 6.65 7.07 7.33 7.50 7.79 8.05 8.53 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1137 Ss-CsCs 11.41 13.72 5.80 5.76 5.63 5.51 5.30 5.18 5.07 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1138 Ss-CsCd 9.83 11.01 6.68 6.98 6.89 6.65 6.16 5.79 5.33 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1139 Ss-CsCt 12.03 13.23 5.45 5.71 5.77 5.73 5.57 5.42 5.20 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1140 Ss-CsCb 10.51 12.60 5.62 5.74 5.70 5.60 5.38 5.22 5.00 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1141 Ss-CdCd 10.56 12.24 5.82 6.48 6.62 6.51 6.09 5.74 5.25 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1142 Ss-CdCt 12.84 12.07 5.34 5.99 6.17 6.13 5.88 5.63 5.27 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1143 Ss-CdCb 10.23 11.93 5.91 6.42 6.51 6.38 6.00 5.65 5.07 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1144 Ss-CtCt 19.93 13.38 4.61 5.28 5.46 5.47 5.37 5.27 5.11 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1145 Ss-CtCb 13.27 11.87 5.60 5.94 5.94 5.82 5.56 5.35 5.06 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1146 Ss-CbCb 10.52 12.32 5.27 5.70 5.80 5.74 5.53 5.35 5.09 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1147 Ss-SsH 1.97 31.73 5.75 6.48 7.02 7.43 8.03 8.43 9.00 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1148 Ss-SsCs 6.99 12.61 5.59 5.73 5.79 5.80 5.74 5.65 5.43 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1149 Ss-SsCd 7.62 12.13 5.41 5.92 6.11 6.14 5.98 5.74 5.25 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1150 Ss-SsCt 11.93 12.73 5.30 5.80 5.94 5.94 5.77 5.57 5.24 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1151 Ss-SsCb 7.09 11.38 5.71 5.93 5.98 5.92 5.67 5.38 4.78 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1152 Ss-SsSs 3.03 11.18 6.19 6.32 6.38 6.44 6.47 6.39 5.95 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1153 Ss-C=SH 4.19 32.23 6.01 6.82 7.28 7.55 7.90 8.18 8.70 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1154 Ss-C=SCs 6.87 11.81 4.43 5.15 5.65 5.92 6.04 5.97 5.72 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1155 Ss-C=SCd 7.78 10.23 5.13 6.41 7.01 7.14 6.87 6.48 5.84 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1156 Ss-C=SCt 15.16 14.06 4.39 4.92 5.17 5.28 5.33 5.29 5.19 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1157 Ss-C=SCb 10.76 13.05 5.08 5.50 5.68 5.70 5.59 5.42 5.05 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1158 Ss-C=SC=S 12.91 12.96 4.98 5.28 5.67 6.04 6.51 6.52 5.77 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1159 Ss-C=SSs 7.90 13.34 5.25 5.49 5.65 5.74 5.74 5.65 5.37 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1160 Sd-Cd 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1161 Sd-Sd 22.82 26.89 3.90 4.08 4.20 4.27 4.35 4.39 4.43 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -1162 Cs-SsHHH -10.25 30.40 5.96 7.60 9.13 10.49 12.72 14.46 17.28 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1163 Cs-CsSsHH -4.94 9.92 5.11 6.59 7.97 9.15 10.99 12.33 14.32 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1164 Cs-CdsSsHH -5.07 6.75 8.17 9.71 10.55 11.14 12.11 12.95 14.43 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1165 Cs-CtSsHH -2.69 9.75 5.19 7.02 8.42 9.51 11.14 12.34 14.18 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1166 Cs-CbSsHH -5.04 8.26 6.30 7.96 9.19 10.12 11.53 12.59 14.26 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1167 Cs-SsSsHH -6.21 6.14 8.37 9.70 10.52 11.13 12.16 13.01 14.43 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1168 Cs-C=SSsHH -6.13 5.73 8.23 10.43 11.42 11.97 12.76 13.43 14.63 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1169 Cs-CsCsSsH -1.98 -11.89 5.01 6.70 7.96 8.83 9.89 10.51 11.27 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1170 Cs-CdsCsSsH -2.15 -15.26 7.41 9.85 10.93 11.28 11.37 11.41 11.61 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1171 Cs-CtCsSsH 0.72 -11.64 5.08 6.78 7.93 8.72 9.73 10.35 11.19 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1172 Cs-CbCsSsH -1.66 -13.65 6.38 7.96 9.03 9.69 10.45 10.89 11.47 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1173 Cs-CsSsSsH -3.30 -14.59 7.82 9.05 9.73 10.14 10.63 10.97 11.44 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1174 Cs-C=SCsSsH -3.49 -15.86 7.53 10.09 11.25 11.65 11.76 11.74 11.77 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1175 Cs-CsCsCsSs -0.49 -34.44 5.41 7.05 8.02 8.53 8.87 8.85 8.57 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1176 Cs-C=SHHH -10.25 30.40 5.96 7.60 9.13 10.49 12.72 14.46 17.28 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1177 Cs-C=SCsHH -4.89 9.83 5.23 6.82 8.16 9.27 10.96 12.20 14.13 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1178 Cs-C=SCsCsH -0.78 -11.46 4.78 6.25 7.44 8.35 9.57 10.31 11.20 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1179 Cs-C=SCsCsCs 1.36 -33.92 5.14 6.63 7.51 7.98 8.33 8.38 8.24 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1180 Cds-CdsSsH 8.87 7.87 4.41 5.20 5.98 6.68 7.80 8.62 9.84 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1181 Cds-CdsCsSs 10.63 -12.76 4.23 4.63 4.97 5.29 5.83 6.17 6.53 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1182 Cds-CdsC=SH 8.87 7.87 4.41 5.20 5.98 6.68 7.80 8.62 9.84 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1183 C=S-HH 27.71 56.51 9.08 10.34 11.51 12.50 14.07 15.25 17.14 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1184 C=S-CsH 27.32 37.56 8.11 9.03 9.88 10.61 11.74 12.55 13.82 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1185 C=S-CdsH 24.05 34.35 7.59 9.38 10.81 11.85 13.18 13.95 14.81 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1186 C=S-CtH 30.83 37.16 7.46 8.91 10.01 10.83 11.98 12.74 13.87 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1187 C=S-CbH 24.71 34.15 8.45 9.84 10.94 11.78 12.97 13.76 14.77 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1188 C=S-C=SH 26.96 35.65 7.79 9.18 10.41 11.42 12.82 13.63 14.54 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1189 C=S-SsH 21.55 34.41 8.38 9.78 10.83 11.66 12.86 13.71 14.87 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1190 C=S-CsCs 27.20 18.00 6.70 7.44 8.14 8.72 9.52 9.98 10.51 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1191 C=S-CdsCs 26.19 13.44 7.79 9.21 10.13 10.71 11.25 11.42 11.35 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1192 C=S-CtCs 30.12 17.46 6.87 7.88 8.60 9.13 9.80 10.17 10.59 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1193 C=S-CbCs 26.60 14.55 8.02 9.02 9.75 10.23 10.75 10.96 11.04 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1194 C=S-C=SCs 27.48 16.58 6.93 7.93 8.76 9.37 10.11 10.45 10.71 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1195 Ct-Ss 27.63 6.32 3.29 3.67 4.00 4.29 4.74 5.05 5.49 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1196 Ct-C=S 27.63 6.32 3.29 3.67 4.00 4.29 4.74 5.05 5.49 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1197 Cb-Ss 5.83 -7.94 2.46 3.24 3.92 4.49 5.27 5.75 6.30 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1198 Cb-C=S 5.83 -7.94 2.46 3.24 3.92 4.49 5.27 5.75 6.30 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1199 Cdd-SdSd 24.50 58.24 10.91 11.83 12.49 12.98 13.63 14.01 14.47 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -// Has to be rechecked, based on CBS-QB3 calculations for H2C=C=S (Cds-CddHH group = Cds-CdsHH) -1200 Cdd-CdSd 40.33 34.24 7.88 8.48 8.8 8.99 9.23 9.37 9.58 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1201 Cs-SsSsSsH -2.78 -15.38 6.84 9.14 10.24 10.73 11.12 11.33 11.57 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1202 Cs-CsCsSsSs -1.34 -36.66 7.17 8.72 9.40 9.63 9.55 9.29 8.67 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1203 Cs-CsSsSsSs -1.80 -38.19 7.45 9.59 10.49 10.71 10.42 9.94 8.92 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1204 Cds-CdsC=SCs 10.34 -11.67 4.44 4.73 4.94 5.14 5.48 5.75 6.24 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -1205 C=S-CSs C=S-CsSs -1206 C=S-CsSs 21.35 14.52 7.40 8.38 9.16 9.80 10.72 11.25 11.66 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 - -// S-C-O Groups, added by CAC -1451 Cs-OsSsHH -9.05 6.82 8.55 8.91 8.50 7.79 6.37 5.31 3.93 0 0 0 CBS-QB3 1DHR CAC -1452 Cs-CsOsSsH -10.28 -17.78 8.90 10.48 11.12 11.27 11.29 11.31 11.70 0 0 0 CBS-QB3 1DHR calc -1453 CO-SsH -1.13 26.69 4.26 4.48 4.61 4.70 4.89 4.95 4.98 0 0 0 CAC 1d-HR calc -1454 CO-CsSs -9.43 18.05 5.82 6.45 7.00 7.45 8.05 8.43 8.84 0 0 0 CAC 1d-HR calc -1455 CS-OsH -7.85 27.65 4.60 5.45 6.20 6.84 7.78 8.44 9.34 0 0 0 CAC 1d-HR calc -1456 CS-CsOs -11.19 6.94 3.56 4.06 4.48 4.82 5.35 5.70 6.03 0 0 0 CAC 1d-HR calc -1457 Os-CSH -20.04 33.59 7.17 8.51 9.68 10.66 12.14 13.14 14.38 0 0 0 CAC calc 1D-HR -1458 Ss-COH -25.85 29.06 7.72 8.66 9.51 10.25 11.37 12.18 13.21 0 0 0 CAC calc 1D-HR -1459 Cs-OsOsSsH -18.46 -14.64 6.29 8.57 9.99 10.79 11.56 11.96 12.58 0 0 0 CAC calc 1D-HR -1460 Cs-COsOsSs Cs-CsOsOsSs -1461 Cs-CsOsOsSs -19.49 -37.31 6.79 8.59 9.36 9.54 9.39 9.12 8.83 0 0 0 CAC calc 1D-HR - - -1600 Si Cs-HHHH - - diff --git a/output/RMG_database/thermo_groups/Group_Tree.txt b/output/RMG_database/thermo_groups/Group_Tree.txt deleted file mode 100644 index cf9992c1be..0000000000 --- a/output/RMG_database/thermo_groups/Group_Tree.txt +++ /dev/null @@ -1,2026 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// Tree -// -// Jing Song: combine Joanna's carbon tree "CarbonTree_021018.txt" and oxygen Tree in "OxygenTree_021018.txt" -// Nov 7, 2002 -// -///////////////////////////////////////////////////////////////////// - - -////////////////////////////////////////////////////////////////// -// Carbon Tree -// Joanna Yu -// Oct. 18, 2002 -////////////////////////////////////////////////////////////////// - -////////////////////////////////////////////////////////////////// -//Thermo Tree & Nomenclature for groups with C as the central atom -// -//C Carbon atom, bonds are still not defined -//Ct Carbon atom with one triple bond and one single bond -//Cs Carbon atom with four single bonds -//Cd Carbon atom with one double bond and the rest not defined -//Cdd Carbon atom with two double bonds -//Cds Carbon atom with one double bond and two single bonds -//Cb Carbon atom belonging to a benzene ring -//Cbf Carbon atom belonging to a fused benzene ring -//H Hydrogen atom -//Os Oxygen atom with two single bonds -//Od Oxygen atom with one double bond -////////////////////////////////////////////////////////////////// - -L0: R - -L1: C - L2: Cbf - L3: Cbf-CbCbCbf - L3: Cbf-CbCbfCbf - L3: Cbf-CbfCbfCbf - L2: Cb - L3: Cb-H - L3: Cb-Os - L3: Cb-Ss - L3: Cb-C - L4: Cb-Cs - L4: Cb-Cds - L5: Cb-(Cds-Od) // Cb-CO - L5: Cb-C=S // Cb-CS - L5: Cb-(Cds-Cd) - L6: Cb-(Cds-Cds) // Cb-Cd - L6: Cb-(Cds-Cdd) - L7: Cb-(Cds-Cdd-Od) // Cb-Ck - L7: Cb-(Cds-Cdd-Sd) // Cb-Ck - L7: Cb-(Cds-Cdd-Cd) // Cb-Cd - L4: Cb-Ct - L4: Cb-Cb - L2: Ct - L3: Ct-H - L3: Ct-Os - L3: Ct-Ss - L3: Ct-C - L4: Ct-Cs - L4: Ct-Cds - L5: Ct-(Cds-Od) // Ct-CO - L5: Ct-C=S // Ct-CS - L5: Ct-(Cds-Cd) - L6: Ct-(Cds-Cds) // Ct-Cd - L6: Ct-(Cds-Cdd) - L7: Ct-(Cds-Cdd-Od) // Ct-Ck - L7: Ct-(Cds-Cdd-Sd) // Ct-Ck - L7: Ct-(Cds-Cdd-Cd) // Ct-Cd - - L4: Ct-Ct - L4: Ct-Cb - - L2: Cdd - L3: Cdd-OdOd // CO2 - L3: Cdd-SdSd // CS2 - L3: Cdd-CdOd - L4: Cdd-CdsOd // O=C*=C< currently treat the adjacent C as Ck - L4: Cdd-CddOd // O=C*=C= currently not defined - L5: Cdd-(Cdd-Od)Od - L5: Cdd-(Cdd-Cd)Od - L3: Cdd-CdSd - L4: Cdd-CdsSd // S=C*=C< currently treat the adjacent C as Ck - L4: Cdd-CddSd // S=C*=C= currently not defined - L5: Cdd-(Cdd-Sd)Sd - L5: Cdd-(Cdd-Cd)Sd - - L3: Cdd-CdCd // Currently all the nodes under this have one value (Ca) - L4: Cdd-CddCdd // I don't think these groups have been defined. - L5: Cdd-(Cdd-Od)(Cdd-Od) // O=C=C*=C=O - L5: Cdd-(Cdd-Sd)(Cdd-Sd) // S=C=C*=C=S - L5: Cdd-(Cdd-Od)(Cdd-Cd) // O=C=C*=C=C the carbon at the edge is not defined, otherwise this could go on indefinetely! - L5: Cdd-(Cdd-Sd)(Cdd-Cd) // S=C=C*=C=C the carbon at the edge is not defined, otherwise this could go on indefinetely! - L5: Cdd-(Cdd-Cd)(Cdd-Cd) // C=C=C*=C=C the carbons at the edges are not defined! - L4: Cdd-CddCds // I don't think these groups have been defined. - L5: Cdd-(Cdd-Od)Cds // O=C=C*=C< - L5: Cdd-(Cdd-Sd)Cds // S=C=C*=C< - L5: Cdd-(Cdd-Cd)Cds // C=C=C*=C< - L4: Cdd-CdsCds // Ca , that is >C=C=C< - - L2: Cds - L3: Cds-OdHH - L3: Cds-OdOsH - L3: CO-SsH - L3: Cds-OdOsOs - L3: CO-CsSs - L3: C=S-HH - L3: C=S-SsH - L3: CS-OsH - L3: C=S-SsSs - L3: Cds-OdCH - L4: Cds-OdCsH - L4: Cds-OdCdsH - L5: Cds-Od(Cds-Od)H // CO-COH - L5: Cds-Od(Cds-Cd)H - L6: Cds-Od(Cds-Cds)H // CO-CdH - L6: Cds-Od(Cds-Cdd)H - L7: Cds-Od(Cds-Cdd-Od)H // CO-CkH - L7: Cds-Od(Cds-Cdd-Cd)H // CO-(Cd-Ca)H - L4: Cds-OdCtH - L4: Cds-OdCbH - - L3: C=S-CH - L4: C=S-CsH - L4: C=S-CdsH - L5: C=S-C=SH // CS-CSH - L5: C=S-(Cds-Cd)H - L6: C=S-(Cds-Cds)H // CS-CdH - L6: C=S-(Cds-Cdd)H - L7: C=S-(Cds-Cdd-Sd)H // CS-CkH - L7: C=S-(Cds-Cdd-Cd)H // CS-(Cd-Ca)H - L4: C=S-CtH - L4: C=S-CbH - - L3: Cds-OdCOs - L4: Cds-OdCsOs - L4: Cds-OdCdsOs - L5: Cds-Od(Cds-Od)Os // CO-COO - L5: Cds-Od(Cds-Cd)Os - L6: Cds-Od(Cds-Cds)Os // CO-CdO - L6: Cds-Od(Cds-Cdd)Os - L7: Cds-Od(Cds-Cdd-Od)Os // CO-CkO - L7: Cds-Od(Cds-Cdd-Cd)Os // CO-(Cd-Ca)O - - L4: Cds-OdCtOs - L4: Cds-OdCbOs - - L3: C=S-CSs - L4: C=S-CsSs - L4: C=S-CdsSs - L5: C=S-C=SSs // CS-CSS - L5: C=S-(Cds-Cd)Ss - L6: C=S-(Cds-Cds)Ss // CS-CdS - L6: C=S-(Cds-Cdd)Ss - L7: C=S-(Cds-Cdd-Sd)Ss // CS-CkS - L7: C=S-(Cds-Cdd-Cd)Ss // CS-(Cd-Ca)S - - L4: C=S-CtSs - L4: C=S-CbSs - - L3: Cds-OdCC - L4: Cds-OdCsCs - L4: Cds-OdCdsCs - L5: Cds-Od(Cds-Od)Cs // CO-COCs - L5: Cds-Od(Cds-Cd)Cs - L6: Cds-Od(Cds-Cds)Cs // CO-CdCs - L6: Cds-Od(Cds-Cdd)Cs - L7: Cds-Od(Cds-Cdd-Od)Cs // CO-CkCs - L7: Cds-Od(Cds-Cdd-Cd)Cs // CO-(Cd-Ca)Cs - L4: Cds-OdCdsCds - L5: Cds-Od(Cds-Od)(Cds-Od) // CO-COCO - L5: Cds-Od(Cds-Cd)(Cds-Od) - L6: Cds-Od(Cds-Cds)(Cds-Od) // CO-CdCO - L6: Cds-Od(Cds-Cdd)(Cds-Od) - L7: Cds-Od(Cds-Cdd-Od)(Cds-Od) // CO-CkCO - L7: Cds-Od(Cds-Cdd-Cd)(Cds-Od) // CO-(Cd-Ca)CO - L5: Cds-Od(Cds-Cd)(Cds-Cd) - L6: Cds-Od(Cds-Cds)(Cds-Cds) // CO-CdCd - L6: Cds-Od(Cds-Cdd)(Cds-Cds) - L7: Cds-Od(Cds-Cdd-Od)(Cds-Cds) // CO-CkCd - L7: Cds-Od(Cds-Cdd-Cd)(Cds-Cds) // CO-(Cd-Ca)Cd - L6: Cds-Od(Cds-Cdd)(Cds-Cdd) - L7: Cds-Od(Cds-Cdd-Od)(Cds-Cdd-Od) // CO-CkCk - L7: Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Od) // CO-(Cd-Ca)Ck - L7: Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Cd) // CO-(Cd-Ca)(Cd-Ca) - L4: Cds-OdCtCs - L4: Cds-OdCtCds - L5: Cds-OdCt(Cds-Od) // CO-COCt - L5: Cds-OdCt(Cds-Cd) - L6: Cds-OdCt(Cds-Cds) // CO-CdCt - L6: Cds-OdCt(Cds-Cdd) - L7: Cds-OdCt(Cds-Cdd-Od) // CO-CkCt - L7: Cds-OdCt(Cds-Cdd-Cd) // CO-(Cd-Ca)Ct - L4: Cds-OdCtCt - L4: Cds-OdCbCs - L4: Cds-OdCbCds - L5: Cds-OdCb(Cds-Od) // CO-COCbCO - L5: Cds-OdCb(Cds-Cd) - L6: Cds-OdCb(Cds-Cds) // CO-CdCb - L6: Cds-OdCb(Cds-Cdd) - L7: Cds-OdCb(Cds-Cdd-Od) // CO-CkCb - L7: Cds-OdCb(Cds-Cdd-Cd) // CO-(Cd-Ca)Cb - L4: Cds-OdCbCt - L4: Cds-OdCbCb - - L3: C=S-CC - L4: C=S-CsCs - L4: C=S-CdsCs - L5: C=S-C=SCs // CS-CSCs - L5: C=S-(Cds-Cd)Cs - L6: C=S-(Cds-Cds)Cs // CS-CdCs - L6: C=S-(Cds-Cdd)Cs - L7: C=S-(Cds-Cdd-Sd)Cs // CS-CkCs - L7: C=S-(Cds-Cdd-Cd)Cs // CS-(Cd-Ca)Cs - L4: C=S-CdsCds - L5: C=S-C=SC=S // CS-CSCS - L5: C=S-(Cds-Cd)C=S - L6: C=S-(Cds-Cds)C=S // CS-CdCS - L6: C=S-(Cds-Cdd)C=S - L7: C=S-(Cds-Cdd-Sd)C=S // CS-CkCS - L7: C=S-(Cds-Cdd-Cd)C=S // CS-(Cd-Ca)CS - L5: C=S-(Cds-Cd)(Cds-Cd) - L6: C=S-(Cds-Cds)(Cds-Cds) // CS-CdCd - L6: C=S-(Cds-Cdd)(Cds-Cds) - L7: C=S-(Cds-Cdd-Sd)(Cds-Cds) // CS-CkCd - L7: C=S-(Cds-Cdd-Cd)(Cds-Cds) // CS-(Cd-Ca)Cd - L6: C=S-(Cds-Cdd)(Cds-Cdd) - L7: C=S-(Cds-Cdd-Sd)(Cds-Cdd-Sd) // CS-CkCk - L7: C=S-(Cds-Cdd-Cd)(Cds-Cdd-Sd) // CS-(Cd-Ca)Ck - L7: C=S-(Cds-Cdd-Cd)(Cds-Cdd-Cd) // CS-(Cd-Ca)(Cd-Ca) - L4: C=S-CtCs - L4: C=S-CtCds - L5: C=S-CtC=S // CS-CSCt - L5: C=S-Ct(Cds-Cd) - L6: C=S-Ct(Cds-Cds) // CS-CdCt - L6: C=S-Ct(Cds-Cdd) - L7: C=S-Ct(Cds-Cdd-Sd) // CS-CkCt - L7: C=S-Ct(Cds-Cdd-Cd) // CS-(Cd-Ca)Ct - L4: C=S-CtCt - L4: C=S-CbCs - L4: C=S-CbCds - L5: C=S-CbC=S // CS-CSCbCS - L5: C=S-Cb(Cds-Cd) - L6: C=S-Cb(Cds-Cds) // CS-CdCb - L6: C=S-Cb(Cds-Cdd) - L7: C=S-Cb(Cds-Cdd-Sd) // CS-CkCb - L7: C=S-Cb(Cds-Cdd-Cd) // CS-(Cd-Ca)Cb - L4: C=S-CbCt - L4: C=S-CbCb - L3: CS-CsOs - - - L3: Cds-CdHH - L4: Cds-CdsHH - L4: Cds-CddHH - L5: Cds-(Cdd-Od)HH // Ck-HH - L5: Cds-(Cdd-Sd)HH // Ck-HH - L5: Cds-(Cdd-Cd)HH // Cd-CaHH - L3: Cds-CdOsH - L4: Cds-CdsOsH - L4: Cds-CddOsH - L5: Cds-(Cdd-Od)OsH // Ck-OH - L5: Cds-(Cdd-Cd)OsH // Cd-CaOH - L3: Cds-CdSsH - L4: Cds-CdsSsH - L4: Cds-CddSsH - L5: Cds-(Cdd-Sd)SsH // Ck-SH - L5: Cds-(Cdd-Cd)SsH // Cd-CaSH - L3: Cds-CdOsOs - L4: Cds-CdsOsOs - L4: Cds-CddOsOs - L5: Cds-(Cdd-Od)OsOs // Ck-OO - L5: Cds-(Cdd-Cd)OsOs // Cd-CaOO - L3: Cds-CdSsSs - L4: Cds-CdsSsSs - L4: Cds-CddSsSs - L5: Cds-(Cdd-Sd)SsSs // Ck-SS - L5: Cds-(Cdd-Cd)SsSs // Cd-CaSS - - L3: Cds-CdCH - L4: Cds-CdsCsH - L4: Cds-CdsCdsH - L5: Cds-Cds(Cds-Od)H // Cd-COH - L5: Cds-CdsC=SH // Cd-CSH - L5: Cds-Cds(Cds-Cd)H - L6: Cds-Cds(Cds-Cds)H // Cd-CdH - L6: Cds-Cds(Cds-Cdd)H - L7: Cds-Cds(Cds-Cdd-Od)H // Cd-CkH - L7: Cds-Cds(Cds-Cdd-Sd)H // Cd-CkH - L7: Cds-Cds(Cds-Cdd-Cd)H // Cd-(Cd-Ca)H - L4: Cds-CdsCtH - L4: Cds-CdsCbH - L4: Cds-CddCsH - L5: Cds-(Cdd-Od)CsH // Ck-CH - L5: Cds-(Cdd-Sd)CsH // Ck-CH - L5: Cds-(Cdd-Cd)CsH // Cd-CaCH - L4: Cds-CddCdsH - L5: Cds-(Cdd-Od)(Cds-Od)H // Ck-COH - L5: Cds-(Cdd-Sd)C=SH // Ck-CSH - L5: Cds-(Cdd-Od)(Cds-Cd)H - L6: Cds-(Cdd-Od)(Cds-Cds)H // Ck-CdH - L6: Cds-(Cdd-Od)(Cds-Cdd)H - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)H // Ck-CkH - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)H // Ck-(Cd-Ca)H - L5: Cds-(Cdd-Sd)(Cds-Cd)H - L6: Cds-(Cdd-Sd)(Cds-Cds)H // Ck-CdH - L6: Cds-(Cdd-Sd)(Cds-Cdd)H - L7: Cds-(Cdd-Sd)(Cds-Cdd-Sd)H // Ck-CkH - L7: Cds-(Cdd-Sd)(Cds-Cdd-Cd)H // Ck-(Cd-Ca)H - L5: Cds-(Cdd-Cd)(Cds-Od)H - L5: Cds-(Cdd-Cd)C=SH - L5: Cds-(Cdd-Cd)(Cds-Cd)H - L6: Cds-(Cdd-Cd)(Cds-Cds)H // Cd-CaCdH - L6: Cds-(Cdd-Cd)(Cds-Cdd)H - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)H // Cd-CaCkH - L7: Cds-(Cdd-Cd)(Cds-Cdd-Sd)H // Cd-CaCkH - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)H // Cd-Ca(Cd-Ca)H - L4: Cds-CddCtH - L5: Cds-(Cdd-Od)CtH // Ck-CtH - L5: Cds-(Cdd-Sd)CtH // Ck-CtH - L5: Cds-(Cdd-Cd)CtH // Cd-CaCtH - L4: Cds-CddCbH - L5: Cds-(Cdd-Od)CbH // Ck-CbH - L5: Cds-(Cdd-Sd)CbH // Ck-CbH - L5: Cds-(Cdd-Cd)CbH // Cd-CaCbH - L3: Cds-CdCO - L4: Cds-CdsCsOs - L4: Cds-CdsCdsOs - L5: Cds-Cds(Cds-Od)Os // Cd-COO - L5: Cds-Cds(Cds-Cd)Os - L6: Cds-Cds(Cds-Cds)Os // Cd-CdO - L6: Cds-Cds(Cds-Cdd)Os - L7: Cds-Cds(Cds-Cdd-Od)Os // Cd-CkO - L7: Cds-Cds(Cds-Cdd-Cd)Os // Cd-(Cd-Ca)O - L4: Cds-CdsCtOs - L4: Cds-CdsCbOs - L4: Cds-CddCsOs - L5: Cds-(Cdd-Od)CsOs // Ck-CO - L5: Cds-(Cdd-Cd)CsOs // Cd-CaCO - L4: Cds-CddCdsOs - L5: Cds-(Cdd-Od)(Cds-Od)Os // Ck-COO - L5: Cds-(Cdd-Od)(Cds-Cd)Os - L6: Cds-(Cdd-Od)(Cds-Cds)Os // Ck-CdO - L6: Cds-(Cdd-Od)(Cds-Cdd)Os - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)Os // Ck-CkO - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)Os // Ck-(Cd-Ca)O - L5: Cds-(Cdd-Cd)(Cds-Cd)Os - L6: Cds-(Cdd-Cd)(Cds-Cds)Os // Cd-CaCdO - L6: Cds-(Cdd-Cd)(Cds-Cdd)Os - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)Os // Cd-CaCkO - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)Os // Cd-Ca(Cd-Ca)O - L4: Cds-CddCtOs - L5: Cds-(Cdd-Od)CtOs // Ck-CtO - L5: Cds-(Cdd-Cd)CtOs // Cd-CaCtO - L4: Cds-CddCbOs - L5: Cds-(Cdd-Od)CbOs // Ck-CbO - L5: Cds-(Cdd-Cd)CbOs // Cd-CaCbO - L3: Cds-CdCS - L4: Cds-CdsCsSs - L4: Cds-CdsCdsSs - L5: Cds-CdsC=SSs // Cd-CSS - L5: Cds-Cds(Cds-Cd)Ss - L6: Cds-Cds(Cds-Cds)Ss // Cd-CdS - L6: Cds-Cds(Cds-Cdd)Ss - L7: Cds-Cds(Cds-Cdd-Sd)Ss // Cd-CkS - L7: Cds-Cds(Cds-Cdd-Cd)Ss // Cd-(Cd-Ca)S - L4: Cds-CdsCtSs - L4: Cds-CdsCbSs - L4: Cds-CddCsSs - L5: Cds-(Cdd-Sd)CsSs // Ck-CS - L5: Cds-(Cdd-Cd)CsSs // Cd-CaCS - L4: Cds-CddCdsSs - L5: Cds-(Cdd-Sd)C=SSs // Ck-CSS - L5: Cds-(Cdd-Sd)(Cds-Cd)Ss - L6: Cds-(Cdd-Sd)(Cds-Cds)Ss // Ck-CdS - L6: Cds-(Cdd-Sd)(Cds-Cdd)Ss - L7: Cds-(Cdd-Sd)(Cds-Cdd-Sd)Ss // Ck-CkS - L7: Cds-(Cdd-Sd)(Cds-Cdd-Cd)Ss // Ck-(Cd-Ca)S - L5: Cds-(Cdd-Cd)(Cds-Cd)Ss - L6: Cds-(Cdd-Cd)(Cds-Cds)Ss // Cd-CaCdS - L6: Cds-(Cdd-Cd)(Cds-Cdd)Ss - L7: Cds-(Cdd-Cd)(Cds-Cdd-Sd)Ss // Cd-CaCkS - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)Ss // Cd-Ca(Cd-Ca)S - L4: Cds-CddCtSs - L5: Cds-(Cdd-Sd)CtSs // Ck-CtS - L5: Cds-(Cdd-Cd)CtSs // Cd-CaCtS - L4: Cds-CddCbSs - L5: Cds-(Cdd-Sd)CbSs // Ck-CbS - L5: Cds-(Cdd-Cd)CbSs // Cd-CaCbS - L3: Cds-CdCC - L4: Cds-CdsCsCs - L4: Cds-CdsCdsCs - L5: Cds-Cds(Cds-Od)Cs // Cd-COCs - L5: Cds-CdsC=SCs // Cd-CSCs - L5: Cds-Cds(Cds-Cd)Cs - L6: Cds-Cds(Cds-Cds)Cs // Cd-CdCs - L6: Cds-Cds(Cds-Cdd)Cs - L7: Cds-Cds(Cds-Cdd-Od)Cs // Cd-CkC - L7: Cds-Cds(Cds-Cdd-Sd)Cs // Cd-CkC - L7: Cds-Cds(Cds-Cdd-Cd)Cs // Cd-(Cd-Ca)C - L4: Cds-CdsCdsCds - L5: Cds-Cds(Cds-Od)(Cds-Od) // Cd-COCO - L5: Cds-CdsC=SC=S // Cd-CSCS - L5: Cds-Cds(Cds-Od)(Cds-Cd) - L6: Cds-Cds(Cds-Od)(Cds-Cds) // Cd-COCd - L6: Cds-Cds(Cds-Od)(Cds-Cdd) - L7: Cds-Cds(Cds-Od)(Cds-Cdd-Od) // Cd-COCk - L7: Cds-Cds(Cds-Od)(Cds-Cdd-Cd) // Cd-CO(Cd-Ca) - L5: Cds-CdsC=S(Cds-Cd) - L6: Cds-CdsC=S(Cds-Cds) // Cd-CSCd - L6: Cds-CdsC=S(Cds-Cdd) - L7: Cds-CdsC=S(Cds-Cdd-Sd) // Cd-CSCk - L7: Cds-CdsC=S(Cds-Cdd-Cd) // Cd-CS(Cd-Ca) - L5: Cds-Cds(Cds-Cd)(Cds-Cd) - L6: Cds-Cds(Cds-Cds)(Cds-Cds) // Cd-CdCd - L6: Cds-Cds(Cds-Cds)(Cds-Cdd) - L7: Cds-Cds(Cds-Cds)(Cds-Cdd-Od) // Cd-CkCd - L7: Cds-Cds(Cds-Cds)(Cds-Cdd-Sd) // Cd-CkCd - L7: Cds-Cds(Cds-Cds)(Cds-Cdd-Cd) // Cd-(Cd-Ca)Cd - L6: Cds-Cds(Cds-Cdd)(Cds-Cdd) - L7: Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Od) // Cd-CkCk - L7: Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Cd) // Cd-Ck(Cd-Ca) - L7: Cds-Cds(Cds-Cdd-Sd)(Cds-Cdd-Sd) // Cd-CkCk - L7: Cds-Cds(Cds-Cdd-Sd)(Cds-Cdd-Cd) // Cd-Ck(Cd-Ca) - L7: Cds-Cds(Cds-Cdd-Cd)(Cds-Cdd-Cd) // Cd-(Cd-Ca)(Cd-Ca) - L4: Cds-CdsCtCs - L4: Cds-CdsCtCds - L5: Cds-CdsCt(Cds-Od) // Cd-COCt - L5: Cds-CdsCtC=S // Cd-CSCt - L5: Cds-CdsCt(Cds-Cd) - L6: Cds-Cds(Cds-Cds)Ct // Cd-CdCt - L6: Cds-Cds(Cds-Cdd)Ct - L7: Cds-Cds(Cds-Cdd-Od)Ct // Cd-CkCt - L7: Cds-Cds(Cds-Cdd-Sd)Ct // Cd-CkCt - L7: Cds-Cds(Cds-Cdd-Cd)Ct // Cd-(Cd-Ca)Ct - L4: Cds-CdsCtCt - L4: Cds-CdsCbCs - L4: Cds-CdsCbCds - L5: Cds-CdsCb(Cds-Od) // Cd-COCb - L5: Cds-CdsCbC=S // Cd-CSCb - L5: Cds-Cds(Cds-Cd)Cb - L6: Cds-Cds(Cds-Cds)Cb // Cd-CdCb - L6: Cds-Cds(Cds-Cdd)Cb - L7: Cds-Cds(Cds-Cdd-Od)Cb // Cd-CkCb - L7: Cds-Cds(Cds-Cdd-Sd)Cb // Cd-CkCb - L7: Cds-Cds(Cds-Cdd-Cd)Cb // Cd-(Cd-Ca)Cb - L4: Cds-CdsCbCt - L4: Cds-CdsCbCb - L4: Cds-CddCsCs - L5: Cds-(Cdd-Od)CsCs // Ck-CC - L5: Cds-(Cdd-Sd)CsCs // Ck-CC - L5: Cds-(Cdd-Cd)CsCs // Cd-CaCC - L4: Cds-CddCdsCs - L5: Cds-(Cdd-Od)(Cds-Od)Cs // Ck-COC - L5: Cds-(Cdd-Sd)C=SCs // Ck-CSC - L5: Cds-(Cdd-Od)(Cds-Cd)Cs - L6: Cds-(Cdd-Od)(Cds-Cds)Cs // Ck-CdC - L6: Cds-(Cdd-Od)(Cds-Cdd)Cs - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)Cs // Ck-CkC - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)Cs // Ck-(Cd-Ca)C - L5: Cds-(Cdd-Sd)(Cds-Cd)Cs - L6: Cds-(Cdd-Sd)(Cds-Cds)Cs // Ck-CdC - L6: Cds-(Cdd-Sd)(Cds-Cdd)Cs - L7: Cds-(Cdd-Sd)(Cds-Cdd-Sd)Cs // Ck-CkC - L7: Cds-(Cdd-Sd)(Cds-Cdd-Cd)Cs // Ck-(Cd-Ca)C - L5: Cds-(Cdd-Cd)(Cds-Cd)Cs - L6: Cds-(Cdd-Cd)(Cds-Cds)Cs // Cd-CaCdC - L6: Cds-(Cdd-Cd)(Cds-Cdd)Cs - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)Cs // Cd-CaCkC - L7: Cds-(Cdd-Cd)(Cds-Cdd-Sd)Cs // Cd-CaCkC - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cs // Cd-Ca(Cd-Ca)C - L4: Cds-CddCdsCds - L5: Cds-(Cdd-Od)(Cds-Od)(Cds-Od) // Ck-COCO - L5: Cds-(Cdd-Od)(Cds-Cd)(Cds-Od) - L6: Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) // Ck-CdCO - L6: Cds-(Cdd-Od)(Cds-Cdd)(Cds-Od) - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Od) // Ck-CkCO - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Od) // Ck-(Cd-Ca)CO - L5: Cds-(Cdd-Od)(Cds-Cd)(Cds-Cd) - L6: Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) // Ck-CdCd - L6: Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cds) - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) // Ck-CkCd - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cds) // Ck-(Cd-Ca)Cd - L6: Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cdd) - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) // Ck-CkCk - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) // Ck-Ck(Cd-Ca) - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // Ck-(Cd-Ca)(Cd-Ca) - - L5: Cds-(Cdd-Cd)(Cds-Od)(Cds-Od) // Cd-CaCOCO - L5: Cds-(Cdd-Cd)(Cds-Od)(Cds-Cd) - L6: Cds-(Cdd-Cd)(Cds-Od)(Cds-Cds) // Cd-CaCOCd - L6: Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd) - L7: Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Od) // Cd-CaCOCk - L7: Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Cd) // Cd-CaCO(Cd-Ca) - L5: Cds-(Cdd-Sd)C=SC=S // Ck-CSCS - L5: Cds-(Cdd-Sd)(Cds-Cd)C=S - L6: Cds-(Cdd-Sd)(Cds-Cds)C=S // Ck-CdCS - L6: Cds-(Cdd-Sd)(Cds-Cdd)C=S - L7: Cds-(Cdd-Sd)(Cds-Cdd-Sd)C=S // Ck-CkCS - L7: Cds-(Cdd-Sd)(Cds-Cdd-Cd)C=S // Ck-(Cd-Ca)CS - L5: Cds-(Cdd-Sd)(Cds-Cd)(Cds-Cd) - L6: Cds-(Cdd-Sd)(Cds-Cds)(Cds-Cds) // Ck-CdCd - L6: Cds-(Cdd-Sd)(Cds-Cdd)(Cds-Cds) - L7: Cds-(Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cds) // Ck-CkCd - L7: Cds-(Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cds) // Ck-(Cd-Ca)Cd - L6: Cds-(Cdd-Sd)(Cds-Cdd)(Cds-Cdd) - L7: Cds-(Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd) // Ck-CkCk - L7: Cds-(Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd) // Ck-Ck(Cd-Ca) - L7: Cds-(Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // Ck-(Cd-Ca)(Cd-Ca) - - L5: Cds-(Cdd-Cd)C=SC=S // Cd-CaCSCS - L5: Cds-(Cdd-Cd)C=S(Cds-Cd) - L6: Cds-(Cdd-Cd)C=S(Cds-Cds) // Cd-CaCSCd - L6: Cds-(Cdd-Cd)C=S(Cds-Cdd) - L7: Cds-(Cdd-Cd)C=S(Cds-Cdd-Sd) // Cd-CaCSCk - L7: Cds-(Cdd-Cd)C=S(Cds-Cdd-Cd) // Cd-CaCS(Cd-Ca) - L5: Cds-(Cdd-Cd)(Cds-Cd)(Cds-Cd) - L6: Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) // Cd-CaCdCd - L6: Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cds) - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cds) // Cd-CaCkCd - L7: Cds-(Cdd-Cd)(Cds-Cdd-Sd)(Cds-Cds) // Cd-CaCkCd - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cds) // Cd-Ca(Cd-Ca)Cd - L6: Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cdd) - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Od) // Cd-CaCkCk - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Cd) // Cd-CaCk(Cd-Ca) - L7: Cds-(Cdd-Cd)(Cds-Cdd-Sd)(Cds-Cdd-Sd) // Cd-CaCkCk - L7: Cds-(Cdd-Cd)(Cds-Cdd-Sd)(Cds-Cdd-Cd) // Cd-CaCk(Cd-Ca) - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // Cd-Ca(Cd-Ca)(Cd-Ca) - - L4: Cds-CddCtCs - L5: Cds-(Cdd-Od)CtCs // Ck-CtC - L5: Cds-(Cdd-Sd)CtCs // Ck-CtC - L5: Cds-(Cdd-Cd)CtCs // Cd-CaCtC - L4: Cds-CddCtCds - L5: Cds-(Cdd-Od)(Cds-Od)Ct // Ck-COCt - L5: Cds-(Cdd-Od)(Cds-Cd)Ct - L6: Cds-(Cdd-Od)(Cds-Cds)Ct // Ck-CdCt - L6: Cds-(Cdd-Od)(Cds-Cdd)Ct - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)Ct // Ck-CkCt - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)Ct // Ck-(Cd-Ca)Ct - L5: Cds-(Cdd-Sd)C=SCt // Ck-CSCt - L5: Cds-(Cdd-Sd)(Cds-Cd)Ct - L6: Cds-(Cdd-Sd)(Cds-Cds)Ct // Ck-CdCt - L6: Cds-(Cdd-Sd)(Cds-Cdd)Ct - L7: Cds-(Cdd-Sd)(Cds-Cdd-Sd)Ct // Ck-CkCt - L7: Cds-(Cdd-Sd)(Cds-Cdd-Cd)Ct // Ck-(Cd-Ca)Ct - L5: Cds-(Cdd-Cd)(Cds-Cd)Ct - L6: Cds-(Cdd-Cd)(Cds-Cds)Ct // Cd-CaCdCt - L6: Cds-(Cdd-Cd)(Cds-Cdd)Ct - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)Ct // Cd-CaCkCt - L7: Cds-(Cdd-Cd)(Cds-Cdd-Sd)Ct // Cd-CaCkCt - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)Ct // Cd-Ca(Cd-Ca)Ct - - - - L4: Cds-CddCtCt - L5: Cds-(Cdd-Od)CtCt // Ck-CtCt - L5: Cds-(Cdd-Sd)CtCt // Ck-CtCt - L5: Cds-(Cdd-Cd)CtCt // Cd-CaCtCt - L4: Cds-CddCbCs - L5: Cds-(Cdd-Od)CbCs // Ck-CbC - L5: Cds-(Cdd-Sd)CbCs // Ck-CbC - L5: Cds-(Cdd-Cd)CbCs // Cd-CaCbC - L4: Cds-CddCbCds - L5: Cds-(Cdd-Od)(Cds-Od)Cb // Ck-COCb - L5: Cds-(Cdd-Od)(Cds-Cd)Cb - L6: Cds-(Cdd-Od)(Cds-Cds)Cb // Ck-CdCb - L6: Cds-(Cdd-Od)(Cds-Cdd)Cb - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)Cb // Ck-CkCb - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)Cb // Ck-(Cd-Ca)Cb - L5: Cds-(Cdd-Sd)C=SCb // Ck-CSCb - L5: Cds-(Cdd-Sd)(Cds-Cd)Cb - L6: Cds-(Cdd-Sd)(Cds-Cds)Cb // Ck-CdCb - L6: Cds-(Cdd-Sd)(Cds-Cdd)Cb - L7: Cds-(Cdd-Sd)(Cds-Cdd-Sd)Cb // Ck-CkCb - L7: Cds-(Cdd-Sd)(Cds-Cdd-Cd)Cb // Ck-(Cd-Ca)Cb - L5: Cds-(Cdd-Cd)(Cds-Cd)Cb - L6: Cds-(Cdd-Cd)(Cds-Cds)Cb // Cd-CaCdCb - L6: Cds-(Cdd-Cd)(Cds-Cdd)Cb - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)Cb // Cd-CaCkCb - L7: Cds-(Cdd-Cd)(Cds-Cdd-Sd)Cb // Cd-CaCkCb - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cb // Cd-Ca(Cd-Ca)Cb - L4: Cds-CddCbCt - L5: Cds-(Cdd-Od)CbCt // Ck-CbCt - L5: Cds-(Cdd-Sd)CbCt // Ck-CbCt - L5: Cds-(Cdd-Cd)CbCt // Cd-CaCbCt - L4: Cds-CddCbCb - L5: Cds-(Cdd-Od)CbCb // Ck-CbCb - L5: Cds-(Cdd-Sd)CbCb // Ck-CbCb - L5: Cds-(Cdd-Cd)CbCb // Cd-CaCbCb - - L2: Cs - L3: Cs-HHHH - L3: Cs-CHHH - L4: Cs-CsHHH - L4: Cs-CdsHHH - L5: Cs-(Cds-Od)HHH // Cs-COHHH - L5: Cs-C=SHHH // Cs-CSHHH - L5: Cs-(Cds-Cd)HHH - L6: Cs-(Cds-Cds)HHH // Cs-CdHHH - L6: Cs-(Cds-Cdd)HHH - L7: Cs-(Cds-Cdd-Od)HHH // Cs-CkHHH - L7: Cs-(Cds-Cdd-Sd)HHH - L7: Cs-(Cds-Cdd-Cd)HHH // Cs-(Cd-Ca)HHH - L4: Cs-CtHHH - L4: Cs-CbHHH - - L3: Cs-OsHHH - L3: Cs-OsOsHH - L3: Cs-OsOsOsH - L3: Cs-OsSsHH - L3: Cs-OsOsSsH - L3: Cs-SsHHH - L3: Cs-SsSsHH - L3: Cs-SsSsSsH - L3: Cs-CCHH - L4: Cs-CsCsHH - L4: Cs-CdsCsHH - L5: Cs-(Cds-Od)CsHH // C-COCHH - L5: Cs-C=SCsHH // C-CSCHH - L5: Cs-(Cds-Cd)CsHH - L6: Cs-(Cds-Cds)CsHH // C-CdCHH - L6: Cs-(Cds-Cdd)CsHH - L7: Cs-(Cds-Cdd-Od)CsHH // C-CkCHH - L7: Cs-(Cds-Cdd-Sd)CsHH // C-CkCHH - L7: Cs-(Cds-Cdd-Cd)CsHH // C-(Cd-Ca)CHH - L4: Cs-CdsCdsHH - L5: Cs-(Cds-Od)(Cds-Od)HH // C-COCOHH - L5: Cs-(Cds-Od)(Cds-Cd)HH - L6: Cs-(Cds-Od)(Cds-Cds)HH // C-COCdHH - L6: Cs-(Cds-Od)(Cds-Cdd)HH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)HH // C-COCkHH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)HH // C-CO(Cd-Ca)HH - L5: Cs-C=SC=SHH // C-CSCSHH - L5: Cs-C=S(Cds-Cd)HH - L6: Cs-C=S(Cds-Cds)HH // C-CSCdHH - L6: Cs-C=S(Cds-Cdd)HH - L7: Cs-C=S(Cds-Cdd-Sd)HH // C-CSCkHH - L7: Cs-C=S(Cds-Cdd-Cd)HH // C-CS(Cd-Ca)HH - L5: Cs-(Cds-Cd)(Cds-Cd)HH - L6: Cs-(Cds-Cds)(Cds-Cds)HH // C-CdCdHH - L6: Cs-(Cds-Cdd)(Cds-Cds)HH - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)HH // Cs-CkCdHH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)HH // Cs-CkCdHH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)HH // Cs-(Cd-Ca)CdHH - L6: Cs-(Cds-Cdd)(Cds-Cdd)HH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)HH // Cs-CkCkHH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)HH // Cs-Ck(Cd-Ca)HH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)HH // Cs-CkCkHH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)HH // Cs-Ck(Cd-Ca)HH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)HH // Cs-(Cd-Ca)(Cd-Ca)HH - L4: Cs-CtCsHH - L4: Cs-CtCdsHH - L5: Cs-(Cds-Od)CtHH // C-COCtHH - L5: Cs-C=SCtHH // C-CSCtHH - L5: Cs-(Cds-Cd)CtHH - L6: Cs-(Cds-Cds)CtHH // C-CdCtHH - L6: Cs-(Cds-Cdd)CtHH - L7: Cs-(Cds-Cdd-Od)CtHH // C-CkCtHH - L7: Cs-(Cds-Cdd-Sd)CtHH // C-CkCtHH - L7: Cs-(Cds-Cdd-Cd)CtHH // C-(Cd-Ca)CtHH - L4: Cs-CtCtHH - L4: Cs-CbCsHH - L4: Cs-CbCdsHH - L5: Cs-(Cds-Od)CbHH // C-COCbHH - L5: Cs-C=SCbHH // C-CSCbHH - L5: Cs-(Cds-Cd)CbHH - L6: Cs-(Cds-Cds)CbHH // C-CdCbHH - L6: Cs-(Cds-Cdd)CbHH - L7: Cs-(Cds-Cdd-Od)CbHH // C-CkCbHH - L7: Cs-(Cds-Cdd-Sd)CbHH // C-CkCbHH - L7: Cs-(Cds-Cdd-Cd)CbHH // C-(Cd-Ca)CbHH - L4: Cs-CbCtHH - L4: Cs-CbCbHH - - L3: Cs-CCCH - L4: Cs-CsCsCsH - L4: Cs-CdsCsCsH - L5: Cs-(Cds-Od)CsCsH // C-COCCH - L5: Cs-C=SCsCsH // C-CSCCH - L5: Cs-(Cds-Cd)CsCsH - L6: Cs-(Cds-Cds)CsCsH // C-CdCCH - L6: Cs-(Cds-Cdd)CsCsH - L7: Cs-(Cds-Cdd-Od)CsCsH // C-CkCCH - L7: Cs-(Cds-Cdd-Sd)CsCsH // C-CkCCH - L7: Cs-(Cds-Cdd-Cd)CsCsH // C-(Cd-Ca)CCH - L4: Cs-CtCsCsH - L4: Cs-CbCsCsH - L4: Cs-CdsCdsCsH - L5: Cs-(Cds-Od)(Cds-Od)CsH // C-COCOCH - L5: Cs-C=SC=SCsH // C-CSCSCH - L5: Cs-(Cds-Od)(Cds-Cd)CsH - L6: Cs-(Cds-Od)(Cds-Cds)CsH // C-COCdCH - L6: Cs-(Cds-Od)(Cds-Cdd)CsH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CsH // C-COCkCH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CsH // C-CO(Cd-Ca)CH - L5: Cs-C=S(Cds-Cd)CsH - L6: Cs-C=S(Cds-Cds)CsH // C-CSCdCH - L6: Cs-C=S(Cds-Cdd)CsH - L7: Cs-C=S(Cds-Cdd-Sd)CsH // C-CSCkCH - L7: Cs-C=S(Cds-Cdd-Cd)CsH // C-CS(Cd-Ca)CH - L5: Cs-(Cds-Cd)(Cds-Cd)CsH - L6: Cs-(Cds-Cds)(Cds-Cds)CsH // C-CdCdCH - L6: Cs-(Cds-Cdd)(Cds-Cds)CsH - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CsH // Cs-CkCdCH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CsH // Cs-CkCdCH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CsH // Cs-(Cd-Ca)CdCH - L6: Cs-(Cds-Cdd)(Cds-Cdd)CsH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsH // Cs-CkCkCH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsH // Cs-Ck(Cd-Ca)CH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CsH // Cs-CkCkCH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CsH // Cs-Ck(Cd-Ca)CH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsH // Cs-(Cd-Ca)(Cd-Ca)CH - L4: Cs-CtCdsCsH - L5: Cs-(Cds-Od)CtCsH // C-COCtCH - L5: Cs-C=SCtCsH // C-CSCtCH - L5: Cs-(Cds-Cd)CtCsH - L6: Cs-(Cds-Cds)CtCsH // C-CdCtCH - L6: Cs-(Cds-Cdd)CtCsH - L7: Cs-(Cds-Cdd-Od)CtCsH // C-CkCtCH - L7: Cs-(Cds-Cdd-Sd)CtCsH // C-CkCtCH - L7: Cs-(Cds-Cdd-Cd)CtCsH // C-(Cd-Ca)CtCH - L4: Cs-CbCdsCsH - L5: Cs-(Cds-Od)CbCsH // C-COCbCH - L5: Cs-(Cds-Cd)CbCsH - L6: Cs-(Cds-Cds)CbCsH // C-CdCbCH - L6: Cs-(Cds-Cdd)CbCsH - L7: Cs-(Cds-Cdd-Od)CbCsH // C-CkCbCH - L7: Cs-(Cds-Cdd-Cd)CbCsH // C-(Cd-Ca)CbCH - L4: Cs-CtCtCsH - L4: Cs-CbCtCsH - L4: Cs-CbCbCsH - L4: Cs-CdsCdsCdsH - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)H // C-COCOCOH - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)H - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H // C-COCOCdH - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)H - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)H // C-COCOCkH - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)H // C-COCO(Cd-Ca)H - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)H - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H // C-COCdCdH - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)H - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H // Cs-COCkCdH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)H // Cs-CO(Cd-Ca)CdH - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)H - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H // Cs-COCkCkH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H // Cs-COCk(Cd-Ca)H - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H // Cs-CO(Cd-Ca)(Cd-Ca)H - L5: Cs-C=SC=SC=SH // C-CSCSCSH - L5: Cs-C=SC=S(Cds-Cd)H - L6: Cs-C=SC=S(Cds-Cds)H // C-CSCSCdH - L6: Cs-C=SC=S(Cds-Cdd)H - L7: Cs-C=SC=S(Cds-Cdd-Sd)H // C-CSCSCkH - L7: Cs-C=SC=S(Cds-Cdd-Cd)H // C-CSCS(Cd-Ca)H - L5: Cs-C=S(Cds-Cd)(Cds-Cd)H - L6: Cs-C=S(Cds-Cds)(Cds-Cds)H // C-CSCdCdH - L6: Cs-C=S(Cds-Cdd)(Cds-Cds)H - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cds)H // Cs-CSCkCdH - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cds)H // Cs-CS(Cd-Ca)CdH - L6: Cs-C=S(Cds-Cdd)(Cds-Cdd)H - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)H // Cs-CSCkCkH - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)H // Cs-CSCk(Cd-Ca)H - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)H // Cs-CS(Cd-Ca)(Cd-Ca)H - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)H - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H // C-CdCdCdH - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)H - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H // C-CdCdCkH - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)H // C-CdCdCkH - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)H // C-CdCd(Cd-Ca)H - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)H - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H // C-CdCkCkH - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)H // C-CdCk(Cd-Ca)H - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)H // C-CdCkCkH - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)H // C-CdCk(Cd-Ca)H - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H // C-Cd(Cd-Ca)(Cd-Ca)H - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)H - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H // C-CkCkCkH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H // C-CkCk(Cd-Ca)H - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H // C-Ck(Cd-Ca)(Cd-Ca)H - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)H // C-CkCkCkH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)H // C-CkCk(Cd-Ca)H - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H // C-Ck(Cd-Ca)(Cd-Ca)H - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H // C-(Cd-Ca)(Cd-Ca)(Cd-Ca)H - L4: Cs-CtCdsCdsH - L5: Cs-(Cds-Od)(Cds-Od)CtH // C-COCOCtH - L5: Cs-(Cds-Od)(Cds-Cd)CtH - L6: Cs-(Cds-Od)(Cds-Cds)CtH // C-COCdCtH - L6: Cs-(Cds-Od)(Cds-Cdd)CtH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CtH // C-COCkCtH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CtH // C-CO(Cd-Ca)CtH - L5: Cs-C=SC=SCtH // C-CSCSCtH - L5: Cs-C=S(Cds-Cd)CtH - L6: Cs-C=S(Cds-Cds)CtH // C-CSCdCtH - L6: Cs-C=S(Cds-Cdd)CtH - L7: Cs-C=S(Cds-Cdd-Sd)CtH // C-CSCkCtH - L7: Cs-C=S(Cds-Cdd-Cd)CtH // C-CS(Cd-Ca)CtH - L5: Cs-(Cds-Cd)(Cds-Cd)CtH - L6: Cs-(Cds-Cds)(Cds-Cds)CtH // C-CdCdCtH - L6: Cs-(Cds-Cdd)(Cds-Cds)CtH - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CtH // Cs-CkCdCtH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CtH // Cs-CkCdCtH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CtH // Cs-(Cd-Ca)CdCtH - L6: Cs-(Cds-Cdd)(Cds-Cdd)CtH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtH // Cs-CkCkCtH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtH // Cs-Ck(Cd-Ca)CtH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CtH // Cs-CkCkCtH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CtH // Cs-Ck(Cd-Ca)CtH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtH // Cs-(Cd-Ca)(Cd-Ca)CtH - L4: Cs-CbCdsCdsH - L5: Cs-(Cds-Od)(Cds-Od)CbH // C-COCOCbH - L5: Cs-(Cds-Od)(Cds-Cd)CbH - L6: Cs-(Cds-Od)(Cds-Cds)CbH // C-COCdCbH - L6: Cs-(Cds-Od)(Cds-Cdd)CbH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CbH // C-COCkCbH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CbH // C-CO(Cd-Ca)CbH - L5: Cs-C=SC=SCbH // C-CSCSCbH - L5: Cs-C=S(Cds-Cd)CbH - L6: Cs-C=S(Cds-Cds)CbH // C-CSCdCbH - L6: Cs-C=S(Cds-Cdd)CbH - L7: Cs-C=S(Cds-Cdd-Sd)CbH // C-CSCkCbH - L7: Cs-C=S(Cds-Cdd-Cd)CbH // C-CS(Cd-Ca)CbH - L5: Cs-(Cds-Cd)(Cds-Cd)CbH - L6: Cs-(Cds-Cds)(Cds-Cds)CbH // C-CdCdCbH - L6: Cs-(Cds-Cdd)(Cds-Cds)CbH - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CbH // Cs-CkCdCbH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CbH // Cs-CkCdCbH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbH // Cs-(Cd-Ca)CdCbH - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbH // Cs-CkCkCbH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbH // Cs-Ck(Cd-Ca)CbH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CbH // Cs-CkCkCbH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CbH // Cs-Ck(Cd-Ca)CbH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbH // Cs-(Cd-Ca)(Cd-Ca)CbH - L4: Cs-CtCtCdsH - L5: Cs-CtCt(Cds-Od)H // C-CtCtCOH - L5: Cs-CtCtC=SH // C-CtCtCSH - L5: Cs-CtCt(Cds-Cd)H - L6: Cs-CtCt(Cds-Cds)H // C-CtCtCdH - L6: Cs-CtCt(Cds-Cdd)H - L7: Cs-CtCt(Cds-Cdd-Od)H // C-CtCtCkH - L7: Cs-CtCt(Cds-Cdd-Sd)H // C-CtCtCkH - L7: Cs-CtCt(Cds-Cdd-Cd)H // C-CtCt(Cd-Ca)H - L4: Cs-CbCtCdsH - L5: Cs-CbCt(Cds-Od)H // C-CbCtCOH - L5: Cs-CbCtC=SH // C-CbCtCSH - L5: Cs-CbCt(Cds-Cd)H - L6: Cs-CbCt(Cds-Cds)H // C-CbCtCdH - L6: Cs-CbCt(Cds-Cdd)H - L7: Cs-CbCt(Cds-Cdd-Od)H // C-CbCtCkH - L7: Cs-CbCt(Cds-Cdd-Sd)H // C-CbCtCkH - L7: Cs-CbCt(Cds-Cdd-Cd)H // C-CbCt(Cd-Ca)H - L4: Cs-CbCbCdsH - L5: Cs-CbCb(Cds-Od)H // C-CbCbCOH - L5: Cs-CbCbC=SH // C-CbCbCSH - L5: Cs-CbCb(Cds-Cd)H - L6: Cs-CbCb(Cds-Cds)H // C-CbCbCdH - L6: Cs-CbCb(Cds-Cdd)H - L7: Cs-CbCb(Cds-Cdd-Od)H // C-CbCbCkH - L7: Cs-CbCb(Cds-Cdd-Sd)H // C-CbCbCkH - L7: Cs-CbCb(Cds-Cdd-Cd)H // C-CbCb(Cd-Ca)H - L4: Cs-CtCtCtH - L4: Cs-CbCtCtH - L4: Cs-CbCbCtH - L4: Cs-CbCbCbH - - L3: Cs-CCCC - L4: Cs-CsCsCsCs - L4: Cs-CdsCsCsCs - L5: Cs-(Cds-Od)CsCsCs // C-COCCC - L5: Cs-C=SCsCsCs // C-CSCCC - L5: Cs-(Cds-Cd)CsCsCs - L6: Cs-(Cds-Cds)CsCsCs // C-CdCCC - L6: Cs-(Cds-Cdd)CsCsCs - L7: Cs-(Cds-Cdd-Od)CsCsCs // C-CkCCC - L7: Cs-(Cds-Cdd-Sd)CsCsCs // C-CkCCC - L7: Cs-(Cds-Cdd-Cd)CsCsCs // C-(Cd-Ca)CCC - L4: Cs-CtCsCsCs - L4: Cs-CbCsCsCs - L4: Cs-CdsCdsCsCs - L5: Cs-(Cds-Od)(Cds-Od)CsCs // C-COCOCC - L5: Cs-(Cds-Od)(Cds-Cd)CsCs - L6: Cs-(Cds-Od)(Cds-Cds)CsCs // C-COCdCC - L6: Cs-(Cds-Od)(Cds-Cdd)CsCs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CsCs // C-COCkCC - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CsCs // C-CO(Cd-Ca)CC - L5: Cs-C=SC=SCsCs // C-CSCSCC - L5: Cs-C=S(Cds-Cd)CsCs - L6: Cs-C=S(Cds-Cds)CsCs // C-CSCdCC - L6: Cs-C=S(Cds-Cdd)CsCs - L7: Cs-C=S(Cds-Cdd-Sd)CsCs // C-CSCkCC - L7: Cs-C=S(Cds-Cdd-Cd)CsCs // C-CS(Cd-Ca)CC - L5: Cs-(Cds-Cd)(Cds-Cd)CsCs - L6: Cs-(Cds-Cds)(Cds-Cds)CsCs // C-CdCdCC - L6: Cs-(Cds-Cdd)(Cds-Cds)CsCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs // Cs-CkCdCC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CsCs // Cs-CkCdCC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CsCs // Cs-(Cd-Ca)CdCC - L6: Cs-(Cds-Cdd)(Cds-Cdd)CsCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs // Cs-CkCkCC - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsCs // Cs-Ck(Cd-Ca)CC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CsCs // Cs-CkCkCC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CsCs // Cs-Ck(Cd-Ca)CC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsCs // Cs-(Cd-Ca)(Cd-Ca)CC - L4: Cs-CtCdsCsCs - L5: Cs-(Cds-Od)CtCsCs // C-COCtCC - L5: Cs-C=SCtCsCs // C-CSCtCC - L5: Cs-(Cds-Cd)CtCsCs - L6: Cs-(Cds-Cds)CtCsCs // C-CdCtCC - L6: Cs-(Cds-Cdd)CtCsCs - L7: Cs-(Cds-Cdd-Od)CtCsCs // C-CkCtCC - L7: Cs-(Cds-Cdd-Sd)CtCsCs // C-CkCtCC - L7: Cs-(Cds-Cdd-Cd)CtCsCs // C-(Cd-Ca)CtCC - L4: Cs-CbCdsCsCs - L5: Cs-(Cds-Od)CbCsCs // C-COCbCC - L5: Cs-C=SCbCsCs // C-CSCbCC - L5: Cs-(Cds-Cd)CbCsCs - L6: Cs-(Cds-Cds)CbCsCs // C-CdCbCC - L6: Cs-(Cds-Cdd)CbCsCs - L7: Cs-(Cds-Cdd-Od)CbCsCs // C-CkCbCC - L7: Cs-(Cds-Cdd-Sd)CbCsCs // C-CkCbCC - L7: Cs-(Cds-Cdd-Cd)CbCsCs // C-(Cd-Ca)CbCC - L4: Cs-CtCtCsCs - L4: Cs-CbCtCsCs - L4: Cs-CbCbCsCs - L4: Cs-CdsCdsCdsCs - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cs // C-COCOCOC - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cs - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs // C-COCOCdC - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cs - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cs // C-COCOCkC - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cs // C-COCO(Cd-Ca)C - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cs - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs // C-COCdCdC - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs // Cs-COCkCdC - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cs // Cs-CO(Cd-Ca)CdC - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs // Cs-COCkCkC - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs // Cs-COCk(Cd-Ca)C - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs // Cs-CO(Cd-Ca)(Cd-Ca)C - L5: Cs-C=SC=SC=SCs // C-CSCSCSC - L5: Cs-C=SC=S(Cds-Cd)Cs - L6: Cs-C=SC=S(Cds-Cds)Cs // C-CSCSCdC - L6: Cs-C=SC=S(Cds-Cdd)Cs - L7: Cs-C=SC=S(Cds-Cdd-Sd)Cs // C-CSCSCkC - L7: Cs-C=SC=S(Cds-Cdd-Cd)Cs // C-CSCS(Cd-Ca)C - L5: Cs-C=S(Cds-Cd)(Cds-Cd)Cs - L6: Cs-C=S(Cds-Cds)(Cds-Cds)Cs // C-CSCdCdC - L6: Cs-C=S(Cds-Cdd)(Cds-Cds)Cs - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cds)Cs // Cs-CSCkCdC - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cds)Cs // Cs-CS(Cd-Ca)CdC - L6: Cs-C=S(Cds-Cdd)(Cds-Cdd)Cs - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cs // Cs-CSCkCkC - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cs // Cs-CSCk(Cd-Ca)C - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs // Cs-CS(Cd-Ca)(Cd-Ca)C - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cs - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs // C-CdCdCdC - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cs - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs // C-CdCdCkC - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)Cs // C-CdCdCkC - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cs // C-CdCd(Cd-Ca)C - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cs - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs // C-CdCkCkC - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs // C-CdCk(Cd-Ca)C - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cs // C-CdCkCkC - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cs // C-CdCk(Cd-Ca)C - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs // C-Cd(Cd-Ca)(Cd-Ca)C - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs // C-CkCkCkC - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs // C-CkCk(Cd-Ca)C - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs // C-Ck(Cd-Ca)(Cd-Ca)C - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cs // C-CkCkCkC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cs // C-CkCk(Cd-Ca)C - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs // C-Ck(Cd-Ca)(Cd-Ca)C - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs // C-(Cd-Ca)(Cd-Ca)(Cd-Ca)C - L4: Cs-CtCdsCdsCs - L5: Cs-(Cds-Od)(Cds-Od)CtCs // C-COCOCtC - L5: Cs-(Cds-Od)(Cds-Cd)CtCs - L6: Cs-(Cds-Od)(Cds-Cds)CtCs // C-COCdCtC - L6: Cs-(Cds-Od)(Cds-Cdd)CtCs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CtCs // C-COCkCtC - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CtCs // C-CO(Cd-Ca)CtC - L5: Cs-C=SC=SCtCs // C-CSCSCtC - L5: Cs-C=S(Cds-Cd)CtCs - L6: Cs-C=S(Cds-Cds)CtCs // C-CSCdCtC - L6: Cs-C=S(Cds-Cdd)CtCs - L7: Cs-C=S(Cds-Cdd-Sd)CtCs // C-CSCkCtC - L7: Cs-C=S(Cds-Cdd-Cd)CtCs // C-CS(Cd-Ca)CtC - L5: Cs-(Cds-Cd)(Cds-Cd)CtCs - L6: Cs-(Cds-Cds)(Cds-Cds)CtCs // C-CdCdCtC - L6: Cs-(Cds-Cdd)(Cds-Cds)CtCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CtCs // Cs-CkCdCtC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CtCs // Cs-CkCdCtC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCs // Cs-(Cd-Ca)CdCtC - L6: Cs-(Cds-Cdd)(Cds-Cdd)CtCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCs // Cs-CkCkCtC - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCs // Cs-Ck(Cd-Ca)CtC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CtCs // Cs-CkCkCtC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CtCs // Cs-Ck(Cd-Ca)CtC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCs // Cs-(Cd-Ca)(Cd-Ca)CtC - L4: Cs-CbCdsCdsCs - L5: Cs-(Cds-Od)(Cds-Od)CbCs // C-COCOCbC - L5: Cs-(Cds-Od)(Cds-Cd)CbCs - L6: Cs-(Cds-Od)(Cds-Cds)CbCs // C-COCdCbC - L6: Cs-(Cds-Od)(Cds-Cdd)CbCs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CbCs // C-COCkCbC - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CbCs // C-CO(Cd-Ca)CbC - L5: Cs-C=SC=SCbCs // C-CSCSCbC - L5: Cs-C=S(Cds-Cd)CbCs - L6: Cs-C=S(Cds-Cds)CbCs // C-CSCdCbC - L6: Cs-C=S(Cds-Cdd)CbCs - L7: Cs-C=S(Cds-Cdd-Sd)CbCs // C-CSCkCbC - L7: Cs-C=S(Cds-Cdd-Cd)CbCs // C-CS(Cd-Ca)CbC - L5: Cs-(Cds-Cd)(Cds-Cd)CbCs - L6: Cs-(Cds-Cds)(Cds-Cds)CbCs // C-CdCdCbC - L6: Cs-(Cds-Cdd)(Cds-Cds)CbCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CbCs // Cs-CkCdCbC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CbCs // Cs-CkCdCbC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCs // Cs-(Cd-Ca)CdCbC - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCs // Cs-CkCkCbC - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCs // Cs-Ck(Cd-Ca)CbC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CbCs // Cs-CkCkCbC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CbCs // Cs-Ck(Cd-Ca)CbC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCs // Cs-(Cd-Ca)(Cd-Ca)CbC - L4: Cs-CtCtCdsCs - L5: Cs-(Cds-Od)CtCtCs // C-COCtCtC - L5: Cs-C=SCtCtCs // C-CSCtCtC - L5: Cs-(Cds-Cd)CtCtCs - L6: Cs-(Cds-Cds)CtCtCs // C-CdCtCtC - L6: Cs-(Cds-Cdd)CtCtCs - L7: Cs-(Cds-Cdd-Od)CtCtCs // C-CkCtCtC - L7: Cs-(Cds-Cdd-Sd)CtCtCs // C-CkCtCtC - L7: Cs-(Cds-Cdd-Cd)CtCtCs // C-(Cd-Ca)CtCtC - L4: Cs-CbCtCdsCs - L5: Cs-(Cds-Od)CbCtCs // C-COCbCtC - L5: Cs-C=SCbCtCs // C-CSCbCtC - L5: Cs-(Cds-Cd)CbCtCs - L6: Cs-(Cds-Cds)CbCtCs // C-CdCbCtC - L6: Cs-(Cds-Cdd)CbCtCs - L7: Cs-(Cds-Cdd-Od)CbCtCs // C-CkCbCtC - L7: Cs-(Cds-Cdd-Sd)CbCtCs // C-CkCbCtC - L7: Cs-(Cds-Cdd-Cd)CbCtCs // C-(Cd-Ca)CbCtC - L4: Cs-CbCbCdsCs - L5: Cs-(Cds-Od)CbCbCs // C-COCbCbC - L5: Cs-C=SCbCbCs // C-CSCbCbC - L5: Cs-(Cds-Cd)CbCbCs - L6: Cs-(Cds-Cds)CbCbCs // C-CdCbCbC - L6: Cs-(Cds-Cdd)CbCbCs - L7: Cs-(Cds-Cdd-Od)CbCbCs // C-CkCbCbC - L7: Cs-(Cds-Cdd-Sd)CbCbCs // C-CkCbCbC - L7: Cs-(Cds-Cdd-Cd)CbCbCs // C-(Cd-Ca)CbCbC - L4: Cs-CtCtCtCs - L4: Cs-CbCtCtCs - L4: Cs-CbCbCtCs - L4: Cs-CbCbCbCs - L4: Cs-CdsCdsCdsCds - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Od) // C-COCOCOCO - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cd) - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) // C-COCOCOCd - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd) - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Od) // C-COCOCOCk - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Cd) // C-COCOCO(Cd-Ca) - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)(Cds-Cd) - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) // C-COCOCdCd - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cds) - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) // Cs-COCOCkCd - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds) // Cs-COCO(Cd-Ca)Cd - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) // Cs-COCOCkCk - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) // Cs-COCOCk(Cd-Ca) - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // Cs-COCO(Cd-Ca)(Cd-Ca) - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)(Cds-Cd) - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) // C-COCdCdCd - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd) - L7: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) // C-COCdCdCk - L7: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) // C-COCdCd(Cd-Ca) - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) // C-COCdCkCk - L7: Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) // C-COCdCk(Cd-Ca) - L7: Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-COCd(Cd-Ca)(Cd-Ca) - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) // C-COCkCkCk - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) // C-COCkCk(Cd-Ca) - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-COCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CO(Cd-Ca)(Cd-Ca)(Cd-Ca) - L5: Cs-C=SC=SC=SC=S // C-CSCSCSCS - L5: Cs-C=SC=SC=S(Cds-Cd) - L6: Cs-C=SC=SC=S(Cds-Cds) // C-CSCSCSCd - L6: Cs-C=SC=SC=S(Cds-Cdd) - L7: Cs-C=SC=SC=S(Cds-Cdd-Sd) // C-CSCSCSCk - L7: Cs-C=SC=SC=S(Cds-Cdd-Cd) // C-CSCSCS(Cd-Ca) - L5: Cs-C=SC=S(Cds-Cd)(Cds-Cd) - L6: Cs-C=SC=S(Cds-Cds)(Cds-Cds) // C-CSCSCdCd - L6: Cs-C=SC=S(Cds-Cdd)(Cds-Cds) - L7: Cs-C=SC=S(Cds-Cdd-Sd)(Cds-Cds) // Cs-CSCSCkCd - L7: Cs-C=SC=S(Cds-Cdd-Cd)(Cds-Cds) // Cs-CSCS(Cd-Ca)Cd - L6: Cs-C=SC=S(Cds-Cdd)(Cds-Cdd) - L7: Cs-C=SC=S(Cds-Cdd-Sd)(Cds-Cdd-Sd) // Cs-CSCSCkCk - L7: Cs-C=SC=S(Cds-Cdd-Sd)(Cds-Cdd-Cd) // Cs-CSCSCk(Cd-Ca) - L7: Cs-C=SC=S(Cds-Cdd-Cd)(Cds-Cdd-Cd) // Cs-CSCS(Cd-Ca)(Cd-Ca) - L5: Cs-C=S(Cds-Cd)(Cds-Cd)(Cds-Cd) - L6: Cs-C=S(Cds-Cds)(Cds-Cds)(Cds-Cds) // C-CSCdCdCd - L6: Cs-C=S(Cds-Cds)(Cds-Cds)(Cds-Cdd) - L7: Cs-C=S(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd) // C-CSCdCdCk - L7: Cs-C=S(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) // C-CSCdCd(Cd-Ca) - L6: Cs-C=S(Cds-Cds)(Cds-Cdd)(Cds-Cdd) - L7: Cs-C=S(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd) // C-CSCdCkCk - L7: Cs-C=S(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd) // C-CSCdCk(Cd-Ca) - L7: Cs-C=S(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CSCd(Cd-Ca)(Cd-Ca) - L6: Cs-C=S(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd) // C-CSCkCkCk - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd) // C-CSCkCk(Cd-Ca) - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CSCk(Cd-Ca)(Cd-Ca) - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CS(Cd-Ca)(Cd-Ca)(Cd-Ca) - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)(Cds-Cd) - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) // C-CdCdCdCd - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd) - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) // C-CdCdCdCk - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd) // C-CdCdCdCk - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) // C-CdCdCd(Cd-Ca) - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) // C-CdCdCkCk - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) // C-CdCdCk(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd) // C-CdCdCkCk - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd) // C-CdCdCk(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CdCd(Cd-Ca)(Cd-Ca) - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) // C-CdCkCkCk - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) // C-CdCkCk(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CdCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd) // C-CdCkCkCk - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd) // C-CdCkCk(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CdCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-Cd(Cd-Ca)(Cd-Ca)(Cd-Ca) - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) // C-CkCkCkCk - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) // C-CkCkCk(Cd-Ca) - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CkCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-Ck(Cd-Ca)(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd) // C-CkCkCkCk - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd) // C-CkCkCk(Cd-Ca) - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CkCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-Ck(Cd-Ca)(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-(Cd-Ca)(Cd-Ca)(Cd-Ca)(Cd-Ca) - L4: Cs-CtCdsCdsCds - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)Ct // C-COCOCOCt - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Ct - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct // C-COCOCdCt - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Ct - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Ct // C-COCOCkCt - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Ct // C-COCO(Cd-Ca)Ct - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Ct - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct // C-COCdCdCt - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Ct - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Ct // Cs-COCkCdCt - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Ct // Cs-CO(Cd-Ca)CdCt - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Ct - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct // Cs-COCkCkCt - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct // Cs-COCk(Cd-Ca)Ct - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct // Cs-CO(Cd-Ca)(Cd-Ca)Ct - L5: Cs-C=SC=SC=SCt // C-CSCSCSCt - L5: Cs-C=SC=S(Cds-Cd)Ct - L6: Cs-C=SC=S(Cds-Cds)Ct // C-CSCSCdCt - L6: Cs-C=SC=S(Cds-Cdd)Ct - L7: Cs-C=SC=S(Cds-Cdd-Sd)Ct // C-CSCSCkCt - L7: Cs-C=SC=S(Cds-Cdd-Cd)Ct // C-CSCS(Cd-Ca)Ct - L5: Cs-C=S(Cds-Cd)(Cds-Cd)Ct - L6: Cs-C=S(Cds-Cds)(Cds-Cds)Ct // C-CSCdCdCt - L6: Cs-C=S(Cds-Cdd)(Cds-Cds)Ct - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cds)Ct // Cs-CSCkCdCt - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cds)Ct // Cs-CS(Cd-Ca)CdCt - L6: Cs-C=S(Cds-Cdd)(Cds-Cdd)Ct - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ct // Cs-CSCkCkCt - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ct // Cs-CSCk(Cd-Ca)Ct - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct // Cs-CS(Cd-Ca)(Cd-Ca)Ct - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Ct - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct // C-CdCdCdCt - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Ct - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct // C-CdCdCkCt - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)Ct // C-CdCdCkCt - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Ct // C-CdCd(Cd-Ca)Ct - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Ct - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct // C-CdCkCkCt - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct // C-CdCk(Cd-Ca)Ct - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ct // C-CdCkCkCt - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ct // C-CdCk(Cd-Ca)Ct - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct // C-Cd(Cd-Ca)(Cd-Ca)Ct - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Ct - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct // C-CkCkCkCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct // C-CkCk(Cd-Ca)Ct - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct // C-Ck(Cd-Ca)(Cd-Ca)Ct - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ct // C-CkCkCkCt - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ct // C-CkCk(Cd-Ca)Ct - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct // C-Ck(Cd-Ca)(Cd-Ca)Ct - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct // C-(Cd-Ca)(Cd-Ca)(Cd-Ca)Ct - L4: Cs-CbCdsCdsCds - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cb // C-COCOCOCb - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cb - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cb // C-COCOCdCb - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cb - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cb // C-COCOCkCb - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cb // C-COCO(Cd-Ca)Cb - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cb - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb // C-COCdCdCb - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cb - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cb // Cs-COCkCdCb - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cb // Cs-CO(Cd-Ca)CdCb - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cb - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb // Cs-COCkCkCb - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb // Cs-COCk(Cd-Ca)Cb - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb // Cs-CO(Cd-Ca)(Cd-Ca)Cb - L5: Cs-C=SC=SC=SCb // C-CSCSCSCb - L5: Cs-C=SC=S(Cds-Cd)Cb - L6: Cs-C=SC=S(Cds-Cds)Cb // C-CSCSCdCb - L6: Cs-C=SC=S(Cds-Cdd)Cb - L7: Cs-C=SC=S(Cds-Cdd-Sd)Cb // C-CSCSCkCb - L7: Cs-C=SC=S(Cds-Cdd-Cd)Cb // C-CSCS(Cd-Ca)Cb - L5: Cs-C=S(Cds-Cd)(Cds-Cd)Cb - L6: Cs-C=S(Cds-Cds)(Cds-Cds)Cb // C-CSCdCdCb - L6: Cs-C=S(Cds-Cdd)(Cds-Cds)Cb - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cds)Cb // Cs-CSCkCdCb - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cds)Cb // Cs-CS(Cd-Ca)CdCb - L6: Cs-C=S(Cds-Cdd)(Cds-Cdd)Cb - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cb // Cs-CSCkCkCb - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cb // Cs-CSCk(Cd-Ca)Cb - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb // Cs-CS(Cd-Ca)(Cd-Ca)Cb - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cb - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb // C-CdCdCdCb - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cb - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cb // C-CdCdCkCb - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)Cb // C-CdCdCkCb - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cb // C-CdCd(Cd-Ca)Cb - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cb - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb // C-CdCkCkCb - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb // C-CdCk(Cd-Ca)Cb - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cb // C-CdCkCkCb - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cb // C-CdCk(Cd-Ca)Cb - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb // C-Cd(Cd-Ca)(Cd-Ca)Cb - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cb - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb // C-CkCkCkCb - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb // C-CkCk(Cd-Ca)Cb - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb // C-Ck(Cd-Ca)(Cd-Ca)Cb - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cb // C-CkCkCkCb - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cb // C-CkCk(Cd-Ca)Cb - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb // C-Ck(Cd-Ca)(Cd-Ca)Cb - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb // C-(Cd-Ca)(Cd-Ca)(Cd-Ca)Cb - L4: Cs-CtCtCdsCds - L5: Cs-(Cds-Od)(Cds-Od)CtCt // C-COCOCtCt - L5: Cs-(Cds-Od)(Cds-Cd)CtCt - L6: Cs-(Cds-Od)(Cds-Cds)CtCt // C-COCdCtCt - L6: Cs-(Cds-Od)(Cds-Cdd)CtCt - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CtCt // C-COCkCtCt - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CtCt // C-CO(Cd-Ca)CtCt - L5: Cs-C=SC=SCtCt // C-CSCSCtCt - L5: Cs-C=S(Cds-Cd)CtCt - L6: Cs-C=S(Cds-Cds)CtCt // C-CSCdCtCt - L6: Cs-C=S(Cds-Cdd)CtCt - L7: Cs-C=S(Cds-Cdd-Sd)CtCt // C-CSCkCtCt - L7: Cs-C=S(Cds-Cdd-Cd)CtCt // C-CS(Cd-Ca)CtCt - L5: Cs-(Cds-Cd)(Cds-Cd)CtCt - L6: Cs-(Cds-Cds)(Cds-Cds)CtCt // C-CdCdCtCt - L6: Cs-(Cds-Cdd)(Cds-Cds)CtCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CtCt // Cs-CkCdCtCt - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CtCt // Cs-CkCdCtCt - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCt // Cs-(Cd-Ca)CdCtCt - L6: Cs-(Cds-Cdd)(Cds-Cdd)CtCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCt // Cs-CkCkCtCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCt // Cs-Ck(Cd-Ca)CtCt - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CtCt // Cs-CkCkCtCt - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CtCt // Cs-Ck(Cd-Ca)CtCt - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCt // Cs-(Cd-Ca)(Cd-Ca)CtCt - L4: Cs-CbCtCdsCds - L5: Cs-(Cds-Od)(Cds-Od)CbCt // C-COCOCbCt - L5: Cs-(Cds-Od)(Cds-Cd)CbCt - L6: Cs-(Cds-Od)(Cds-Cds)CbCt // C-COCdCbCt - L6: Cs-(Cds-Od)(Cds-Cdd)CbCt - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CbCt // C-COCkCbCt - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CbCt // C-CO(Cd-Ca)CbCt - L5: Cs-C=SC=SCbCt // C-CSCSCbCt - L5: Cs-C=S(Cds-Cd)CbCt - L6: Cs-C=S(Cds-Cds)CbCt // C-CSCdCbCt - L6: Cs-C=S(Cds-Cdd)CbCt - L7: Cs-C=S(Cds-Cdd-Sd)CbCt // C-CSCkCbCt - L7: Cs-C=S(Cds-Cdd-Cd)CbCt // C-CS(Cd-Ca)CbCt - L5: Cs-(Cds-Cd)(Cds-Cd)CbCt - L6: Cs-(Cds-Cds)(Cds-Cds)CbCt // C-CdCdCbCt - L6: Cs-(Cds-Cdd)(Cds-Cds)CbCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CbCt // Cs-CkCdCbCt - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CbCt // Cs-CkCdCbCt - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCt // Cs-(Cd-Ca)CdCbCt - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCt // Cs-CkCkCbCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCt // Cs-Ck(Cd-Ca)CbCt - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CbCt // Cs-CkCkCbCt - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CbCt // Cs-Ck(Cd-Ca)CbCt - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCt // Cs-(Cd-Ca)(Cd-Ca)CbCt - L4: Cs-CbCbCdsCds - L5: Cs-(Cds-Od)(Cds-Od)CbCb // C-COCOCbCb - L5: Cs-(Cds-Od)(Cds-Cd)CbCb - L6: Cs-(Cds-Od)(Cds-Cds)CbCb // C-COCdCbCb - L6: Cs-(Cds-Od)(Cds-Cdd)CbCb - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CbCb // C-COCkCbCb - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CbCb // C-CO(Cd-Ca)CbCb - L5: Cs-C=SC=SCbCb // C-CSCSCbCb - L5: Cs-C=S(Cds-Cd)CbCb - L6: Cs-C=S(Cds-Cds)CbCb // C-CSCdCbCb - L6: Cs-C=S(Cds-Cdd)CbCb - L7: Cs-C=S(Cds-Cdd-Sd)CbCb // C-CSCkCbCb - L7: Cs-C=S(Cds-Cdd-Cd)CbCb // C-CS(Cd-Ca)CbCb - L5: Cs-(Cds-Cd)(Cds-Cd)CbCb - L6: Cs-(Cds-Cds)(Cds-Cds)CbCb // C-CdCdCbCb - L6: Cs-(Cds-Cdd)(Cds-Cds)CbCb - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CbCb // Cs-CkCdCbCb - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CbCb // Cs-CkCdCbCb - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCb // Cs-(Cd-Ca)CdCbCb - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbCb - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCb // Cs-CkCkCbCb - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCb // Cs-Ck(Cd-Ca)CbCb - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CbCb // Cs-CkCkCbCb - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CbCb // Cs-Ck(Cd-Ca)CbCb - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCb // Cs-(Cd-Ca)(Cd-Ca)CbCb - L4: Cs-CtCtCtCds - L5: Cs-(Cds-Od)CtCtCt // C-COCtCtCt - L5: Cs-C=SCtCtCt // C-CSCtCtCt - L5: Cs-(Cds-Cd)CtCtCt - L6: Cs-(Cds-Cds)CtCtCt // C-CdCtCtCt - L6: Cs-(Cds-Cdd)CtCtCt - L7: Cs-(Cds-Cdd-Od)CtCtCt // C-CkCtCtCt - L7: Cs-(Cds-Cdd-Sd)CtCtCt // C-CkCtCtCt - L7: Cs-(Cds-Cdd-Cd)CtCtCt // C-(Cd-Ca)CtCtCt - L4: Cs-CbCtCtCds - L5: Cs-(Cds-Od)CbCtCt // C-COCbCtCt - L5: Cs-C=SCbCtCt // C-CSCbCtCt - L5: Cs-(Cds-Cd)CbCtCt - L6: Cs-(Cds-Cds)CbCtCt // C-CdCbCtCt - L6: Cs-(Cds-Cdd)CbCtCt - L7: Cs-(Cds-Cdd-Od)CbCtCt // C-CkCbCtCt - L7: Cs-(Cds-Cdd-Sd)CbCtCt // C-CkCbCtCt - L7: Cs-(Cds-Cdd-Cd)CbCtCt // C-(Cd-Ca)CbCtCt - L4: Cs-CbCbCtCds - L5: Cs-(Cds-Od)CbCbCt // C-COCbCbCt - L5: Cs-C=SCbCbCt // C-CSCbCbCt - L5: Cs-(Cds-Cd)CbCbCt - L6: Cs-(Cds-Cds)CbCbCt // C-CdCbCbCt - L6: Cs-(Cds-Cdd)CbCbCt - L7: Cs-(Cds-Cdd-Od)CbCbCt // C-CkCbCbCt - L7: Cs-(Cds-Cdd-Sd)CbCbCt // C-CkCbCbCt - L7: Cs-(Cds-Cdd-Cd)CbCbCt // C-(Cd-Ca)CbCbCt - L4: Cs-CbCbCbCds - L5: Cs-(Cds-Od)CbCbCb // C-COCbCbCb - L5: Cs-C=SCbCbCb // C-CSCbCbCb - L5: Cs-(Cds-Cd)CbCbCb - L6: Cs-(Cds-Cds)CbCbCb // C-CdCbCbCb - L6: Cs-(Cds-Cdd)CbCbCb - L7: Cs-(Cds-Cdd-Od)CbCbCb // C-CkCbCbCb - L7: Cs-(Cds-Cdd-Sd)CbCbCb // C-CkCbCbCb - L7: Cs-(Cds-Cdd-Cd)CbCbCb // C-(Cd-Ca)CbCbCb - L4: Cs-CtCtCtCt - L4: Cs-CbCtCtCt - L4: Cs-CbCbCtCt - L4: Cs-CbCbCbCt - L4: Cs-CbCbCbCb - - L3: Cs-CCCOs - L4: Cs-CsCsCsOs - L4: Cs-CdsCsCsOs - L5: Cs-(Cds-Od)CsCsOs // C-OCOCC - L5: Cs-(Cds-Cd)CsCsOs - L6: Cs-(Cds-Cds)CsCsOs // C-OCdCC - L6: Cs-(Cds-Cdd)CsCsOs - L7: Cs-(Cds-Cdd-Od)CsCsOs // C-OCkCC - L7: Cs-(Cds-Cdd-Cd)CsCsOs // C-O(Cd-Ca)CC - L4: Cs-OsCtCsCs - L4: Cs-CbCsCsOs - L4: Cs-CdsCdsCsOs - L5: Cs-(Cds-Od)(Cds-Od)CsOs // C-OCOCOC - L5: Cs-(Cds-Od)(Cds-Cd)CsOs - L6: Cs-(Cds-Od)(Cds-Cds)CsOs // C-OCOCdC - L6: Cs-(Cds-Od)(Cds-Cdd)CsOs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CsOs // C-OCOCkC - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CsOs // C-OCO(Cd-Ca)C - L5: Cs-(Cds-Cd)(Cds-Cd)CsOs - L6: Cs-(Cds-Cds)(Cds-Cds)CsOs // C-OCdCdC - L6: Cs-(Cds-Cdd)(Cds-Cds)CsOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs // Cs-OCkCdC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CsOs // Cs-O(Cd-Ca)CdC - L6: Cs-(Cds-Cdd)(Cds-Cdd)CsOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsOs // Cs-OCkCkC - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsOs // Cs-OCk(Cd-Ca)C - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsOs // Cs-O(Cd-Ca)(Cd-Ca)C - L4: Cs-CtCdsCsOs - L5: Cs-(Cds-Od)CtCsOs // C-OCOCtC - L5: Cs-(Cds-Cd)CtCsOs - L6: Cs-(Cds-Cds)CtCsOs // C-OCdCtC - L6: Cs-(Cds-Cdd)CtCsOs - L7: Cs-(Cds-Cdd-Od)CtCsOs // C-OCkCtC - L7: Cs-(Cds-Cdd-Cd)CtCsOs // C-O(Cd-Ca)CtC - L4: Cs-CbCdsCsOs - L5: Cs-(Cds-Od)CbCsOs // C-OCOCbC - L5: Cs-(Cds-Cd)CbCsOs - L6: Cs-(Cds-Cds)CbCsOs // C-OCdCbC - L6: Cs-(Cds-Cdd)CbCsOs - L7: Cs-(Cds-Cdd-Od)CbCsOs // C-OCkCbC - L7: Cs-(Cds-Cdd-Cd)CbCsOs // C-O(Cd-Ca)CbC - L4: Cs-CtCtCsOs - L4: Cs-CbCtCsOs - L4: Cs-CbCbCsOs - L4: Cs-CdsCdsCdsOs - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)Os // C-OCOCOCO - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Os - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os // C-OCOCOCd - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Os - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Os // C-OCOCOCk - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Os // C-OCOCO(Cd-Ca) - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Os - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os // C-OCOCdCd - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Os - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os // Cs-OCOCkCd - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Os // Cs-OCO(Cd-Ca)Cd - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Os - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os // Cs-OCOCkCk - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os // Cs-OCOCk(Cd-Ca) - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os // Cs-OCO(Cd-Ca)(Cd-Ca) - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Os - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os // C-OCdCdCd - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Os - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os // C-OCdCdCk - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Os // C-OCdCd(Cd-Ca) - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Os - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os // C-OCdCkCk - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os // C-OCdCk(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os // C-OCd(Cd-Ca)(Cd-Ca) - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Os - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os // C-OCkCkCk - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os // C-OCkCk(Cd-Ca) - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os // C-OCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os // C-O(Cd-Ca)(Cd-Ca)(Cd-Ca) - L4: Cs-CtCdsCdsOs - L5: Cs-(Cds-Od)(Cds-Od)CtOs // C-COCOCtO - L5: Cs-(Cds-Od)(Cds-Cd)CtOs - L6: Cs-(Cds-Od)(Cds-Cds)CtOs // C-COCdCtO - L6: Cs-(Cds-Od)(Cds-Cdd)CtOs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CtOs // C-COCkCtO - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CtOs // C-CO(Cd-Ca)CtO - L5: Cs-(Cds-Cd)(Cds-Cd)CtOs - L6: Cs-(Cds-Cds)(Cds-Cds)CtOs // C-CdCdCtO - L6: Cs-(Cds-Cdd)(Cds-Cds)CtOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CtOs // Cs-CkCdCtO - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CtOs // Cs-(Cd-Ca)CdCtO - L6: Cs-(Cds-Cdd)(Cds-Cdd)CtOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtOs // Cs-CkCkCtO - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtOs // Cs-Ck(Cd-Ca)CtO - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtOs // Cs-(Cd-Ca)(Cd-Ca)CtO - L4: Cs-CbCdsCdsOs - L5: Cs-(Cds-Od)(Cds-Od)CbOs // C-COCOCbO - L5: Cs-(Cds-Od)(Cds-Cd)CbOs - L6: Cs-(Cds-Od)(Cds-Cds)CbOs // C-COCdCbO - L6: Cs-(Cds-Od)(Cds-Cdd)CbOs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CbOs // C-COCkCbO - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CbOs // C-CO(Cd-Ca)CbO - L5: Cs-(Cds-Cd)(Cds-Cd)CbOs - L6: Cs-(Cds-Cds)(Cds-Cds)CbOs // C-CdCdCbO - L6: Cs-(Cds-Cdd)(Cds-Cds)CbOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CbOs // Cs-CkCdCbO - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbOs // Cs-(Cd-Ca)CdCbO - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbOs // Cs-CkCkCbO - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbOs // Cs-Ck(Cd-Ca)CbO - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbOs // Cs-(Cd-Ca)(Cd-Ca)CbO - L4: Cs-CtCtCdsOs - L5: Cs-(Cds-Od)CtCtOs // C-OCOCtCt - L5: Cs-(Cds-Cd)CtCtOs - L6: Cs-(Cds-Cds)CtCtOs // C-OCdCtCt - L6: Cs-(Cds-Cdd)CtCtOs - L7: Cs-(Cds-Cdd-Od)CtCtOs // C-OCkCtCt - L7: Cs-(Cds-Cdd-Cd)CtCtOs // C-O(Cd-Ca)CtCt - L4: Cs-CbCtCdsOs - L5: Cs-(Cds-Od)CbCtOs // C-OCOCbCt - L5: Cs-(Cds-Cd)CbCtOs - L6: Cs-(Cds-Cds)CbCtOs // C-OCdCbCt - L6: Cs-(Cds-Cdd)CbCtOs - L7: Cs-(Cds-Cdd-Od)CbCtOs // C-OCkCbCt - L7: Cs-(Cds-Cdd-Cd)CbCtOs // C-O(Cd-Ca)CbCt - L4: Cs-CbCbCdsOs - L5: Cs-(Cds-Od)CbCbOs // C-OCOCbCb - L5: Cs-(Cds-Cd)CbCbOs - L6: Cs-(Cds-Cds)CbCbOs // C-OCdCbCb - L6: Cs-(Cds-Cdd)CbCbOs - L7: Cs-(Cds-Cdd-Od)CbCbOs // C-OCkCbCb - L7: Cs-(Cds-Cdd-Cd)CbCbOs // C-O(Cd-Ca)CbCb - L4: Cs-CtCtCtOs - L4: Cs-CbCtCtOs - L4: Cs-CbCbCtOs - L4: Cs-CbCbCbOs - - L3: Cs-CCOsOs - L4: Cs-CsCsOsOs - L4: Cs-CdsCsOsOs - L5: Cs-(Cds-Od)CsOsOs // C-OOCOC - L5: Cs-(Cds-Cd)CsOsOs - L6: Cs-(Cds-Cds)CsOsOs // C-OOCdC - L6: Cs-(Cds-Cdd)CsOsOs - L7: Cs-(Cds-Cdd-Od)CsOsOs // C-OOCkC - L7: Cs-(Cds-Cdd-Cd)CsOsOs // C-OO(Cd-Ca)C - L4: Cs-CdsCdsOsOs - L5: Cs-(Cds-Od)(Cds-Od)OsOs // C-OOCOCO - L5: Cs-(Cds-Od)(Cds-Cd)OsOs - L6: Cs-(Cds-Od)(Cds-Cds)OsOs // C-OOCOCd - L6: Cs-(Cds-Od)(Cds-Cdd)OsOs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)OsOs // C-OOCOCk - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)OsOs // C-OOCO(Cd-Ca) - L5: Cs-(Cds-Cd)(Cds-Cd)OsOs - L6: Cs-(Cds-Cds)(Cds-Cds)OsOs // C-CdCdOO - L6: Cs-(Cds-Cdd)(Cds-Cds)OsOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs // Cs-OOCkCd - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)OsOs // Cs-OO(Cd-Ca)Cd - L6: Cs-(Cds-Cdd)(Cds-Cdd)OsOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsOs // Cs-OOCkCk - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsOs // Cs-OOCk(Cd-Ca) - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsOs // Cs-OO(Cd-Ca)(Cd-Ca) - L4: Cs-CtCsOsOs - L4: Cs-CtCdsOsOs - L5: Cs-(Cds-Od)CtOsOs // C-OOCOCt - L5: Cs-(Cds-Cd)CtOsOs - L6: Cs-(Cds-Cds)CtOsOs // C-OOCdCt - L6: Cs-(Cds-Cdd)CtOsOs - L7: Cs-(Cds-Cdd-Od)CtOsOs // C-OOCkCt - L7: Cs-(Cds-Cdd-Cd)CtOsOs // C-OO(Cd-Ca)Ct - L4: Cs-CtCtOsOs - L4: Cs-CbCsOsOs - L4: Cs-CbCdsOsOs - L5: Cs-(Cds-Od)CbOsOs // C-OOCOCb - L5: Cs-(Cds-Cd)CbOsOs - L6: Cs-(Cds-Cds)CbOsOs // C-OOCdCb - L6: Cs-(Cds-Cdd)CbOsOs - L7: Cs-(Cds-Cdd-Od)CbOsOs // C-OOCkCb - L7: Cs-(Cds-Cdd-Cd)CbOsOs // C-OO(Cd-Ca)Cb - L4: Cs-CbCtOsOs - L4: Cs-CbCbOsOs - - L3: Cs-COsOsOs - L4: Cs-CsOsOsOs - L4: Cs-CdsOsOsOs - L5: Cs-(Cds-Od)OsOsOs // C-OOOCO - L5: Cs-(Cds-Cd)OsOsOs - L6: Cs-(Cds-Cds)OsOsOs // C-OOOCd - L6: Cs-(Cds-Cdd)OsOsOs - L7: Cs-(Cds-Cdd-Od)OsOsOs // C-OOOCk - L7: Cs-(Cds-Cdd-Cd)OsOsOs // C-OOO(Cd-Ca) - L4: Cs-CtOsOsOs - L4: Cs-CbOsOsOs - - L3: Cs-OsOsOsOs - - L3: Cs-COsOsH - L4: Cs-CsOsOsH - L4: Cs-CdsOsOsH - L5: Cs-(Cds-Od)OsOsH // C-OOCOH - L5: Cs-(Cds-Cd)OsOsH - L6: Cs-(Cds-Cds)OsOsH // C-OOCdH - L6: Cs-(Cds-Cdd)OsOsH - L7: Cs-(Cds-Cdd-Od)OsOsH // C-OOCkH - L7: Cs-(Cds-Cdd-Cd)OsOsH // C-OO(Cd-Ca)H - L4: Cs-CtOsOsH - L4: Cs-CbOsOsH - - L3: Cs-COsSsH - L4: Cs-CsOsSsH - L4: Cs-CdsOsSsH - L4: Cs-CtOsSsH - L4: Cs-CbOsSsH - - L3: Cs-COsOsSs - L4: Cs-CsOsOsSs - - L3: Cs-CCOsH - L4: Cs-CsCsOsH - L4: Cs-CdsCsOsH - L5: Cs-(Cds-Od)CsOsH // C-OCOCH - L5: Cs-(Cds-Cd)CsOsH - L6: Cs-(Cds-Cds)CsOsH // C-OCdCH - L6: Cs-(Cds-Cdd)CsOsH - L7: Cs-(Cds-Cdd-Od)CsOsH // C-OCkCH - L7: Cs-(Cds-Cdd-Cd)CsOsH // C-O(Cd-Ca)CH - L4: Cs-CdsCdsOsH - L5: Cs-(Cds-Od)(Cds-Od)OsH // C-OCOCOH - L5: Cs-(Cds-Od)(Cds-Cd)OsH - L6: Cs-(Cds-Od)(Cds-Cds)OsH // C-OCOCdH - L6: Cs-(Cds-Od)(Cds-Cdd)OsH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)OsH // C-OCOCkH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)OsH // C-OCO(Cd-Ca)H - L5: Cs-(Cds-Cd)(Cds-Cd)OsH - L6: Cs-(Cds-Cds)(Cds-Cds)OsH // C-CdCdOH - L6: Cs-(Cds-Cdd)(Cds-Cds)OsH - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)OsH // Cs-OCkCdH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)OsH // Cs-O(Cd-Ca)CdH - L6: Cs-(Cds-Cdd)(Cds-Cdd)OsH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsH // Cs-OCkCkH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsH // Cs-OCk(Cd-Ca)H - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsH // Cs-O(Cd-Ca)(Cd-Ca)H - L4: Cs-CtCsOsH - L4: Cs-CtCdsOsH - L5: Cs-(Cds-Od)CtOsH // C-OCOCtH - L5: Cs-(Cds-Cd)CtOsH - L6: Cs-(Cds-Cds)CtOsH // C-OCdCtH - L6: Cs-(Cds-Cdd)CtOsH - L7: Cs-(Cds-Cdd-Od)CtOsH // C-OCkCtH - L7: Cs-(Cds-Cdd-Cd)CtOsH // C-O(Cd-Ca)CtH - L4: Cs-CtCtOsH - L4: Cs-CbCsOsH - L4: Cs-CbCdsOsH - L5: Cs-(Cds-Od)CbOsH // C-OCOCbH - L5: Cs-(Cds-Cd)CbOsH - L6: Cs-(Cds-Cds)CbOsH // C-OCdCbH - L6: Cs-(Cds-Cdd)CbOsH - L7: Cs-(Cds-Cdd-Od)CbOsH // C-OCkCbH - L7: Cs-(Cds-Cdd-Cd)CbOsH // C-O(Cd-Ca)CbH - L4: Cs-CbCtOsH - L4: Cs-CbCbOsH - - L3: Cs-COsHH - L4: Cs-CsOsHH - L4: Cs-CdsOsHH - L5: Cs-(Cds-Od)OsHH // C-OCOHH - L5: Cs-(Cds-Cd)OsHH - L6: Cs-(Cds-Cds)OsHH // C-OCdHH - L6: Cs-(Cds-Cdd)OsHH - L7: Cs-(Cds-Cdd-Od)OsHH // C-OCkHH - L7: Cs-(Cds-Cdd-Cd)OsHH // C-O(Cd-Ca)HH - L4: Cs-CtOsHH - L4: Cs-CbOsHH - - L3: Cs-CCCSs - L4: Cs-CsCsCsSs - L4: Cs-CdsCsCsSs - L5: Cs-C=SCsCsSs // C-SCSCC - L5: Cs-(Cds-Cd)CsCsSs - L6: Cs-(Cds-Cds)CsCsSs // C-SCdCC - L6: Cs-(Cds-Cdd)CsCsSs - L7: Cs-(Cds-Cdd-Sd)CsCsSs // C-SCkCC - L7: Cs-(Cds-Cdd-Cd)CsCsSs // C-S(Cd-Ca)CC - L4: Cs-SsCtCsCs - L4: Cs-CbCsCsSs - L4: Cs-CdsCdsCsSs - L5: Cs-C=SC=SCsSs // C-SCSCSC - L5: Cs-C=S(Cds-Cd)CsSs - L6: Cs-C=S(Cds-Cds)CsSs // C-SCSCdC - L6: Cs-C=S(Cds-Cdd)CsSs - L7: Cs-C=S(Cds-Cdd-Sd)CsSs // C-SCSCkC - L7: Cs-C=S(Cds-Cdd-Cd)CsSs // C-SCS(Cd-Ca)C - L5: Cs-(Cds-Cd)(Cds-Cd)CsSs - L6: Cs-(Cds-Cds)(Cds-Cds)CsSs // C-SCdCdC - L6: Cs-(Cds-Cdd)(Cds-Cds)CsSs - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CsSs // Cs-SCkCdC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CsSs // Cs-S(Cd-Ca)CdC - L6: Cs-(Cds-Cdd)(Cds-Cdd)CsSs - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CsSs // Cs-SCkCkC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CsSs // Cs-SCk(Cd-Ca)C - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsSs // Cs-S(Cd-Ca)(Cd-Ca)C - L4: Cs-CtCdsCsSs - L5: Cs-C=SCtCsSs // C-SCSCtC - L5: Cs-(Cds-Cd)CtCsSs - L6: Cs-(Cds-Cds)CtCsSs // C-SCdCtC - L6: Cs-(Cds-Cdd)CtCsSs - L7: Cs-(Cds-Cdd-Sd)CtCsSs // C-SCkCtC - L7: Cs-(Cds-Cdd-Cd)CtCsSs // C-S(Cd-Ca)CtC - L4: Cs-CbCdsCsSs - L5: Cs-C=SCbCsSs // C-SCSCbC - L5: Cs-(Cds-Cd)CbCsSs - L6: Cs-(Cds-Cds)CbCsSs // C-SCdCbC - L6: Cs-(Cds-Cdd)CbCsSs - L7: Cs-(Cds-Cdd-Sd)CbCsSs // C-SCkCbC - L7: Cs-(Cds-Cdd-Cd)CbCsSs // C-S(Cd-Ca)CbC - L4: Cs-CtCtCsSs - L4: Cs-CbCtCsSs - L4: Cs-CbCbCsSs - L4: Cs-CdsCdsCdsSs - L5: Cs-C=SC=SC=SSs // C-SCSCSCS - L5: Cs-C=SC=S(Cds-Cd)Ss - L6: Cs-C=SC=S(Cds-Cds)Ss // C-SCSCSCd - L6: Cs-C=SC=S(Cds-Cdd)Ss - L7: Cs-C=SC=S(Cds-Cdd-Sd)Ss // C-SCSCSCk - L7: Cs-C=SC=S(Cds-Cdd-Cd)Ss // C-SCSCS(Cd-Ca) - L5: Cs-C=S(Cds-Cd)(Cds-Cd)Ss - L6: Cs-C=S(Cds-Cds)(Cds-Cds)Ss // C-SCSCdCd - L6: Cs-C=S(Cds-Cdd)(Cds-Cds)Ss - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cds)Ss // Cs-SCSCkCd - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cds)Ss // Cs-SCS(Cd-Ca)Cd - L6: Cs-C=S(Cds-Cdd)(Cds-Cdd)Ss - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ss // Cs-SCSCkCk - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ss // Cs-SCSCk(Cd-Ca) - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ss // Cs-SCS(Cd-Ca)(Cd-Ca) - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Ss - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ss // C-SCdCdCd - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Ss - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)Ss // C-SCdCdCk - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Ss // C-SCdCd(Cd-Ca) - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Ss - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ss // C-SCdCkCk - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ss // C-SCdCk(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ss // C-SCd(Cd-Ca)(Cd-Ca) - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Ss - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ss // C-SCkCkCk - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ss // C-SCkCk(Cd-Ca) - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ss // C-SCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ss // C-S(Cd-Ca)(Cd-Ca)(Cd-Ca) - L4: Cs-CtCdsCdsSs - L5: Cs-C=SC=SCtSs // C-CSCSCtS - L5: Cs-C=S(Cds-Cd)CtSs - L6: Cs-C=S(Cds-Cds)CtSs // C-CSCdCtS - L6: Cs-C=S(Cds-Cdd)CtSs - L7: Cs-C=S(Cds-Cdd-Sd)CtSs // C-CSCkCtS - L7: Cs-C=S(Cds-Cdd-Cd)CtSs // C-CS(Cd-Ca)CtS - L5: Cs-(Cds-Cd)(Cds-Cd)CtSs - L6: Cs-(Cds-Cds)(Cds-Cds)CtSs // C-CdCdCtS - L6: Cs-(Cds-Cdd)(Cds-Cds)CtSs - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CtSs // Cs-CkCdCtS - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CtSs // Cs-(Cd-Ca)CdCtS - L6: Cs-(Cds-Cdd)(Cds-Cdd)CtSs - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CtSs // Cs-CkCkCtS - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CtSs // Cs-Ck(Cd-Ca)CtS - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtSs // Cs-(Cd-Ca)(Cd-Ca)CtS - L4: Cs-CbCdsCdsSs - L5: Cs-C=SC=SCbSs // C-CSCSCbS - L5: Cs-C=S(Cds-Cd)CbSs - L6: Cs-C=S(Cds-Cds)CbSs // C-CSCdCbS - L6: Cs-C=S(Cds-Cdd)CbSs - L7: Cs-C=S(Cds-Cdd-Sd)CbSs // C-CSCkCbS - L7: Cs-C=S(Cds-Cdd-Cd)CbSs // C-CS(Cd-Ca)CbS - L5: Cs-(Cds-Cd)(Cds-Cd)CbSs - L6: Cs-(Cds-Cds)(Cds-Cds)CbSs // C-CdCdCbS - L6: Cs-(Cds-Cdd)(Cds-Cds)CbSs - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CbSs // Cs-CkCdCbS - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbSs // Cs-(Cd-Ca)CdCbS - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbSs - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CbSs // Cs-CkCkCbS - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CbSs // Cs-Ck(Cd-Ca)CbS - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbSs // Cs-(Cd-Ca)(Cd-Ca)CbS - L4: Cs-CtCtCdsSs - L5: Cs-C=SCtCtSs // C-SCSCtCt - L5: Cs-(Cds-Cd)CtCtSs - L6: Cs-(Cds-Cds)CtCtSs // C-SCdCtCt - L6: Cs-(Cds-Cdd)CtCtSs - L7: Cs-(Cds-Cdd-Sd)CtCtSs // C-SCkCtCt - L7: Cs-(Cds-Cdd-Cd)CtCtSs // C-S(Cd-Ca)CtCt - L4: Cs-CbCtCdsSs - L5: Cs-C=SCbCtSs // C-SCSCbCt - L5: Cs-(Cds-Cd)CbCtSs - L6: Cs-(Cds-Cds)CbCtSs // C-SCdCbCt - L6: Cs-(Cds-Cdd)CbCtSs - L7: Cs-(Cds-Cdd-Sd)CbCtSs // C-SCkCbCt - L7: Cs-(Cds-Cdd-Cd)CbCtSs // C-S(Cd-Ca)CbCt - L4: Cs-CbCbCdsSs - L5: Cs-C=SCbCbSs // C-SCSCbCb - L5: Cs-(Cds-Cd)CbCbSs - L6: Cs-(Cds-Cds)CbCbSs // C-SCdCbCb - L6: Cs-(Cds-Cdd)CbCbSs - L7: Cs-(Cds-Cdd-Sd)CbCbSs // C-SCkCbCb - L7: Cs-(Cds-Cdd-Cd)CbCbSs // C-S(Cd-Ca)CbCb - L4: Cs-CtCtCtSs - L4: Cs-CbCtCtSs - L4: Cs-CbCbCtSs - L4: Cs-CbCbCbSs - - L3: Cs-CCSsSs - L4: Cs-CsCsSsSs - L4: Cs-CdsCsSsSs - L5: Cs-C=SCsSsSs // C-SSCSC - L5: Cs-(Cds-Cd)CsSsSs - L6: Cs-(Cds-Cds)CsSsSs // C-SSCdC - L6: Cs-(Cds-Cdd)CsSsSs - L7: Cs-(Cds-Cdd-Sd)CsSsSs // C-SSCkC - L7: Cs-(Cds-Cdd-Cd)CsSsSs // C-SS(Cd-Ca)C - L4: Cs-CdsCdsSsSs - L5: Cs-C=SC=SSsSs // C-SSCSCS - L5: Cs-C=S(Cds-Cd)SsSs - L6: Cs-C=S(Cds-Cds)SsSs // C-SSCSCd - L6: Cs-C=S(Cds-Cdd)SsSs - L7: Cs-C=S(Cds-Cdd-Sd)SsSs // C-SSCSCk - L7: Cs-C=S(Cds-Cdd-Cd)SsSs // C-SSCS(Cd-Ca) - L5: Cs-(Cds-Cd)(Cds-Cd)SsSs - L6: Cs-(Cds-Cds)(Cds-Cds)SsSs // C-CdCdSS - L6: Cs-(Cds-Cdd)(Cds-Cds)SsSs - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)SsSs // Cs-SSCkCd - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)SsSs // Cs-SS(Cd-Ca)Cd - L6: Cs-(Cds-Cdd)(Cds-Cdd)SsSs - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)SsSs // Cs-SSCkCk - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)SsSs // Cs-SSCk(Cd-Ca) - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)SsSs // Cs-SS(Cd-Ca)(Cd-Ca) - L4: Cs-CtCsSsSs - L4: Cs-CtCdsSsSs - L5: Cs-C=SCtSsSs // C-SSCSCt - L5: Cs-(Cds-Cd)CtSsSs - L6: Cs-(Cds-Cds)CtSsSs // C-SSCdCt - L6: Cs-(Cds-Cdd)CtSsSs - L7: Cs-(Cds-Cdd-Sd)CtSsSs // C-SSCkCt - L7: Cs-(Cds-Cdd-Cd)CtSsSs // C-SS(Cd-Ca)Ct - L4: Cs-CtCtSsSs - L4: Cs-CbCsSsSs - L4: Cs-CbCdsSsSs - L5: Cs-C=SCbSsSs // C-SSCSCb - L5: Cs-(Cds-Cd)CbSsSs - L6: Cs-(Cds-Cds)CbSsSs // C-SSCdCb - L6: Cs-(Cds-Cdd)CbSsSs - L7: Cs-(Cds-Cdd-Sd)CbSsSs // C-SSCkCb - L7: Cs-(Cds-Cdd-Cd)CbSsSs // C-SS(Cd-Ca)Cb - L4: Cs-CbCtSsSs - L4: Cs-CbCbSsSs - - L3: Cs-CSsSsSs - L4: Cs-CsSsSsSs - L4: Cs-CdsSsSsSs - L5: Cs-C=SSsSsSs // C-SSSCS - L5: Cs-(Cds-Cd)SsSsSs - L6: Cs-(Cds-Cds)SsSsSs // C-SSSCd - L6: Cs-(Cds-Cdd)SsSsSs - L7: Cs-(Cds-Cdd-Sd)SsSsSs // C-SSSCk - L7: Cs-(Cds-Cdd-Cd)SsSsSs // C-SSS(Cd-Ca) - L4: Cs-CtSsSsSs - L4: Cs-CbSsSsSs - - L3: Cs-SsSsSsSs - - L3: Cs-CSsSsH - L4: Cs-CsSsSsH - L4: Cs-CdsSsSsH - L5: Cs-C=SSsSsH // C-SSCSH - L5: Cs-(Cds-Cd)SsSsH - L6: Cs-(Cds-Cds)SsSsH // C-SSCdH - L6: Cs-(Cds-Cdd)SsSsH - L7: Cs-(Cds-Cdd-Sd)SsSsH // C-SSCkH - L7: Cs-(Cds-Cdd-Cd)SsSsH // C-SS(Cd-Ca)H - L4: Cs-CtSsSsH - L4: Cs-CbSsSsH - - L3: Cs-CCSsH - L4: Cs-CsCsSsH - L4: Cs-CdsCsSsH - L5: Cs-C=SCsSsH // C-SCSCH - L5: Cs-(Cds-Cd)CsSsH - L6: Cs-(Cds-Cds)CsSsH // C-SCdCH - L6: Cs-(Cds-Cdd)CsSsH - L7: Cs-(Cds-Cdd-Sd)CsSsH // C-SCkCH - L7: Cs-(Cds-Cdd-Cd)CsSsH // C-S(Cd-Ca)CH - L4: Cs-CdsCdsSsH - L5: Cs-C=SC=SSsH // C-SCSCSH - L5: Cs-C=S(Cds-Cd)SsH - L6: Cs-C=S(Cds-Cds)SsH // C-SCSCdH - L6: Cs-C=S(Cds-Cdd)SsH - L7: Cs-C=S(Cds-Cdd-Sd)SsH // C-SCSCkH - L7: Cs-C=S(Cds-Cdd-Cd)SsH // C-SCS(Cd-Ca)H - L5: Cs-(Cds-Cd)(Cds-Cd)SsH - L6: Cs-(Cds-Cds)(Cds-Cds)SsH // C-CdCdSH - L6: Cs-(Cds-Cdd)(Cds-Cds)SsH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)SsH // Cs-SCkCdH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)SsH // Cs-S(Cd-Ca)CdH - L6: Cs-(Cds-Cdd)(Cds-Cdd)SsH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)SsH // Cs-SCkCkH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)SsH // Cs-SCk(Cd-Ca)H - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)SsH // Cs-S(Cd-Ca)(Cd-Ca)H - L4: Cs-CtCsSsH - L4: Cs-CtCdsSsH - L5: Cs-C=SCtSsH // C-SCSCtH - L5: Cs-(Cds-Cd)CtSsH - L6: Cs-(Cds-Cds)CtSsH // C-SCdCtH - L6: Cs-(Cds-Cdd)CtSsH - L7: Cs-(Cds-Cdd-Sd)CtSsH // C-SCkCtH - L7: Cs-(Cds-Cdd-Cd)CtSsH // C-S(Cd-Ca)CtH - L4: Cs-CtCtSsH - L4: Cs-CbCsSsH - L4: Cs-CbCdsSsH - L5: Cs-C=SCbSsH // C-SCSCbH - L5: Cs-(Cds-Cd)CbSsH - L6: Cs-(Cds-Cds)CbSsH // C-SCdCbH - L6: Cs-(Cds-Cdd)CbSsH - L7: Cs-(Cds-Cdd-Sd)CbSsH // C-SCkCbH - L7: Cs-(Cds-Cdd-Cd)CbSsH // C-S(Cd-Ca)CbH - L4: Cs-CbCtSsH - L4: Cs-CbCbSsH - - L3: Cs-CSsHH - L4: Cs-CsSsHH - L4: Cs-CdsSsHH - L5: Cs-C=SSsHH // C-SCSHH - L5: Cs-(Cds-Cd)SsHH - L6: Cs-(Cds-Cds)SsHH // C-SCdHH - L6: Cs-(Cds-Cdd)SsHH - L7: Cs-(Cds-Cdd-Sd)SsHH // C-SCkHH - L7: Cs-(Cds-Cdd-Cd)SsHH // C-S(Cd-Ca)HH - L4: Cs-CtSsHH - L4: Cs-CbSsHH - -////////////////////////////////////////////////////////////////// -// Oxygen Tree -// Joanna Yu -// Oct. 18, 2002 -////////////////////////////////////////////////////////////////// - -////////////////////////////////////////////////////////////////// -//Thermo Tree & Nomenclature for groups with O as the central atom -// -//O Carbon atom, bonds are still not defined -//Os Oxygen atom with two single bonds -//Od Oxygen atom with one double bond -//C Carbon atom, bonds are still not defined -//Ct Carbon atom with one triple bond and one single bond -//Cdd Carbon atom with two double bonds -//Cds Carbon atom with one double bond and two single bonds -//Cs Carbon atom with four single bonds -//Cd Carbon atom with one double bond and the rest not defined -//Cb Carbon atom belonging to a benzene ring -//CO Non central carbon atom bonded with a double bond to a non central O -//H Hydrogen atom -////////////////////////////////////////////////////////////////// - -L1: O - L2: Od - L3: Od-Cd // This group is not defined here. C is central atom, go to carbon tree - L3: Od-Od - - L2: Os - L3: Os-HH - L3: Os-OsH - L3: Os-OsOs - L3: Os-CH - L4: Os-CtH - L4: Os-CdsH - L5: Os-(Cds-Od)H // O-COH - L5: Os-(Cds-Cd)H // O-CdH - L4: Os-CsH - L4: Os-CbH - L4: Os-CSH - L3: Os-OsC - L4: Os-OsCt - L4: Os-OsCds - L5: Os-Os(Cds-Od) // O-OCO - L5: Os-Os(Cds-Cd) // O-OCd - L4: Os-OsCs - L4: Os-OsCb - L3: Os-CC - L4: Os-CtCt - L4: Os-CtCds - L5: Os-Ct(Cds-Od) // O-CtCO - L5: Os-Ct(Cds-Cd) // O-CtCd - L4: Os-CtCs - L4: Os-CtCb - L4: Os-CdsCds - L5: Os-(Cds-Od)(Cds-Od) // O-COCO - L5: Os-(Cds-Od)(Cds-Cd) // O-COCd - L5: Os-(Cds-Cd)(Cds-Cd) // O-CdCd - L4: Os-CdsCs - L5: Os-Cs(Cds-Od) // O-CsCO - L5: Os-Cs(Cds-Cd) // O-CsCd - L4: Os-CdsCb - L5: Os-Cb(Cds-Od) // O-CbCO - L5: Os-Cb(Cds-Cd) // O-CbCd - L4: Os-CsCs - L4: Os-CsCb - L4: Os-CbCb - -L1: Si - -////////////////////////////////////////////////////////////////// -// Sulfur Tree -// Aaron Vandeputte -// July 31th, 2009 -////////////////////////////////////////////////////////////////// - -////////////////////////////////////////////////////////////////// -//Thermo Tree & Nomenclature for groups with S as the central atom -// -//S Carbon atom, bonds are still not defined -//Ss Oxygen atom with two single bonds -//Sd Oxygen atom with one double bond -//C Carbon atom, bonds are still not defined -//Cs Carbon atom with four single bonds -//Cd Carbon atom with one double bond and the rest not defined -//Cds Carbon atom with one double bond and two single bonds -//Cdd Carbon atom with two double bonds -//Ct Carbon atom with one triple bond and one single bond -//Cb Carbon atom belonging to a benzene ring -//CS Non central carbon atom bonded with a double bond to a non central S -//H Hydrogen atom -////////////////////////////////////////////////////////////////// - -L1: S - L2: Sd - L3: Sd-Cd // This group is not defined here. C is central atom, go to carbon tree - L3: Sd-Sd - - L2: Ss - L3: Ss-HH - L3: Ss-CH - L4: Ss-CsH - L4: Ss-CdH - L5: Ss-C=SH - L4: Ss-CtH - L4: Ss-CbH - L4: Ss-COH - L3: Ss-SsH - L3: Ss-SsSs - L3: Ss-SsC - L4: Ss-SsCs - L4: Ss-SsCd - L5: Ss-C=SSs - L4: Ss-SsCt - L4: Ss-SsCb - L3: Ss-CC - L4: Ss-CsCs - L4: Ss-CsCd - L5: Ss-C=SCs - L4: Ss-CsCt - L4: Ss-CsCb - L4: Ss-CdCd - L5: Ss-C=SCd - L6: Ss-C=SC=S - L4: Ss-CdCt - L5: Ss-C=SCt - L4: Ss-CdCb - L5: Ss-C=SCb - L4: Ss-CtCt - L4: Ss-CtCb - L4: Ss-CbCb - diff --git a/output/RMG_database/thermo_groups/Other_Dictionary.txt b/output/RMG_database/thermo_groups/Other_Dictionary.txt deleted file mode 100755 index 1f115a40a9..0000000000 --- a/output/RMG_database/thermo_groups/Other_Dictionary.txt +++ /dev/null @@ -1,173 +0,0 @@ -////////////////////////////////////////////////////////////////////////////////////// -// Other Corrections -// Joanna Yu -// Oct. 29 -// -// Jing Song: get rid of the dots following the index -// -////////////////////////////////////////////////////////////////////////////////////// - -// Notation: -// Dcis is a double bons with cis conformations -// R!H means any atom, except H - -R -1 * R 0 - -cis -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 R!H 0 {1,S} -4 H 0 {1,S} -5 R!H 0 {2,S} -6 H 0 {2,S} - -2-ene_cis -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 R!H 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -2-butene_cis -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 C 0 {2,S} {10,S} {11,S} {12,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} -10 H 0 {5,S} -11 H 0 {5,S} -12 H 0 {5,S} - -t-butyl_cis_2-ene -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 C 0 {2,S} {10,S} {11,S} {12,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} -10 R!H 0 {5,S} -11 R!H 0 {5,S} -12 R!H 0 {5,S} - -higher-ene_cis -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 C 0 {2,S} {10,S} {11,S} {12,S} -6 H 0 {2,S} -7 R!H 0 {3,S} -8 R 0 {3,S} -9 R 0 {3,S} -10 R!H 0 {5,S} -11 R 0 {5,S} -12 R 0 {5,S} - -t-butyl_cis_t-butyl -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 C 0 {2,S} {10,S} {11,S} {12,S} -6 H 0 {2,S} -7 R!H 0 {3,S} -8 R!H 0 {3,S} -9 R!H 0 {3,S} -10 R!H 0 {5,S} -11 R!H 0 {5,S} -12 R!H 0 {5,S} - -t-butyl_cis -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 C 0 {2,S} {10,S} {11,S} {12,S} -6 H 0 {2,S} -7 R!H 0 {3,S} -8 R!H 0 {3,S} -9 R!H 0 {3,S} -10 R!H 0 {5,S} -11 R 0 {5,S} -12 R 0 {5,S} - -double_cis -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 R!H 0 {1,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 R!H 0 {2,S} - -ortho -1 * C 0 {2,B} {3,B} {4,S} -2 * C 0 {1,B} {5,B} {6,S} -3 C 0 {1,B} -4 R!H 0 {1,S} -5 C 0 {2,B} -6 R!H 0 {2,S} - -ketene -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 R 0 {1,S} -4 R 0 {1,S} -5 O 0 {2,D} - -ketene_1C-C_1C-H -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 {Cs,Cd} 0 {1,S} {6,S} -4 C 0 {1,S} {7,S} {8,S} {9,S} -5 O 0 {2,D} -6 C 0 {3,S} -7 H 0 {4,S} -8 H 0 {4,S} -9 H 0 {4,S} - -ketene_2C-H -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {1,S} {9,S} {10,S} {11,S} -5 O 0 {2,D} -6 H 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {4,S} -10 H 0 {4,S} -11 H 0 {4,S} - -ketene_2C-C -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 {Cs,Cd} 0 {1,S} {6,S} -4 {Cs,Cd} 0 {1,S} {7,S} -5 O 0 {2,D} -6 C 0 {3,S} -7 C 0 {4,S} - -biketene -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} -3 * C 0 {1,S} {7,D} {10,S} -4 R!H 0 {1,S} -5 R!H 0 {1,S} -6 C 0 {2,D} {8,D} -7 C 0 {3,D} {9,D} -8 O 0 {6,D} -9 O 0 {7,D} -10 R 0 {3,S} - diff --git a/output/RMG_database/thermo_groups/Other_Library.txt b/output/RMG_database/thermo_groups/Other_Library.txt deleted file mode 100755 index 8a1c214a69..0000000000 --- a/output/RMG_database/thermo_groups/Other_Library.txt +++ /dev/null @@ -1,32 +0,0 @@ -////////////////////////////////////////////////////////////////////////////////////// -// Other Corrections -// Joanna Yu -// Oct. 29 -// -// Jing Song: get rid of the dots following the index -// -////////////////////////////////////////////////////////////////////////////////////// - -// Notation: -// Dcis is a double bons with cis conformations -// R!H means any atom, except H - -// ALL *MUST* HAVE A NOTE AT THE END, AND 9 NUMBERS IF ANY ARE PROVIDED. -// H kcal/mol, others in cal/molK. -// Group H S Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 Note - -0 R 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 "dummy root" -1 cis 1.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 0 0 0 "Cis double bond interaction BENSON" -2 2-ene_cis 1.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 0 0 0 -3 2-butene_cis 1.00 1.2 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 0 0 0 "The entropy correction for 2-cis-butene is not zero BENSON" -4 t-butyl_cis_2-ene 4.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 0 0 0 "Cis double bond interaction involving tertiary butyl group BENSON" -5 higher-ene_cis 1.00 -0.6 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 0 0 0 "The entropy correction for 2-cis-butene is not zero BENSON" -6 t-butyl_cis_t-butyl 10.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 0 0 0 "Cis double bond interaction invloving two tertiary butyl groups BENSON" -7 t-butyl_cis 4.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 0 0 0 "Cis double bond interaction involving tertiary butyl group BENSON" -8 double_cis 3.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 0 0 0 "2 Cis interactions around a double bond BENSON" -9 ortho 0.57 -1.61 1.12 1.35 1.30 1.17 0.88 0.66 -0.05 0 0 0 "Ortho correction from BENSON" -10 ketene 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 "All the corrections from this family are from Sumathi & Green, J. Phys. Chem. A, 2002, 106, 7937-7949" -11 ketene_1C-C_1C-H -0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 "This is correction NN1 from Sumathi & Green, J. Phys. Chem. A, 2002, 106, 7937-7949" -12 ketene_2C-H 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 "This is correction NN0 from Sumathi & Green, J. Phys. Chem. A, 2002, 106, 7937-7949" -13 ketene_2C-C -1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 "This is correction NN2 from Sumathi & Green, J. Phys. Chem. A, 2002, 106, 7937-7949" -14 biketene -0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 "This is correction NN3 from Sumathi & Green, J. Phys. Chem. A, 2002, 106, 7937-7949" diff --git a/output/RMG_database/thermo_groups/Other_Tree.txt b/output/RMG_database/thermo_groups/Other_Tree.txt deleted file mode 100644 index 7410e3e8ba..0000000000 --- a/output/RMG_database/thermo_groups/Other_Tree.txt +++ /dev/null @@ -1,27 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// Other Corrections Tree -// -// Joanna Yu -// Dec 12 -// -///////////////////////////////////////////////////////////////////// - -L0: R - -L1: cis - L2: 2-ene_cis - L3: 2-butene_cis - L3: t-butyl_cis_2-ene - L2: higher-ene_cis - L3: t-butyl_cis - L4: t-butyl_cis_t-butyl - -L1: double_cis - -L1: ortho - -L1: ketene - L2: ketene_1C-C_1C-H - L2: ketene_2C-H - L2: ketene_2C-C - L2: biketene diff --git a/output/RMG_database/thermo_groups/Polycyclic_Dictionary.txt b/output/RMG_database/thermo_groups/Polycyclic_Dictionary.txt deleted file mode 100644 index ed2cae1360..0000000000 --- a/output/RMG_database/thermo_groups/Polycyclic_Dictionary.txt +++ /dev/null @@ -1,678 +0,0 @@ -PolycyclicRing -1 * R 0 - -norborn{a/e}ne -Union { norbornane, norbornene } - -norbornane -1 * Cs 0 {3,S} {4,S} {7,S} -2 Cs 0 {3,S} {5,S} {6,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {1,S} {5,S} -5 Cs 0 {2,S} {4,S} -6 Cs 0 {2,S} {7,S} -7 Cs 0 {1,S} {6,S} - -exo-tricyclo[5.2.1.0(2.6)]decane -1 * Cs 0 {3,S} {4,S} {7,S} -2 Cs 0 {3,S} {5,S} {6,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {1,S} {5,S} -5 Cs 0 {2,S} {4,S} -6 Cs 0 {2,S} {7,S} {10,S} -7 Cs 0 {1,S} {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {6,S} - -exo-tricyclo[5.2.1.0(2.6)]decene -1 * Cs 0 {3,S} {4,S} {7,S} -2 Cs 0 {3,S} {5,S} {6,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {1,S} {5,S} -5 Cs 0 {2,S} {4,S} -6 Cs 0 {2,S} {7,S} {10,S} -7 Cs 0 {1,S} {6,S} {8,S} -8 Cd 0 {7,S} {9,D} -9 Cd 0 {8,D} {10,S} -10 Cs 0 {9,S} {6,S} - -exo-tricyclo[5.2.1.0(1.5)]decane -1 * Cs 0 {2,S} {5,S} {9,S} {10,S} -2 Cs 0 {1,S} {3,S} {6,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {1,S} {4,S} -6 Cs 0 {2,S} {7,S} -7 Cs 0 {6,S} {8,S} {10,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {1,S} {8,S} -10 Cs 0 {1,S} {7,S} - -tricyclo[5.2.1.0(3.8)]decane -1 * Cs 0 {2,S} {9,S} {10,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} {8,S} -4 Cs 0 {3,S} {5,S} {10,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {3,S} {7,S} {9,S} -9 Cs 0 {1,S} {8,S} -10 Cs 0 {1,S} {4,S} - -norbornene -1 * Cs 0 {3,S} {4,S} {7,S} -2 Cs 0 {3,S} {5,S} {6,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {1,S} {5,S} -5 Cs 0 {2,S} {4,S} -6 C 0 {2,S} {7,D} -7 C 0 {1,S} {6,D} - -exo-tricyclo[5.2.1.0(2.6)]dec-8-ene -1 * Cs 0 {3,S} {4,S} {7,S} -2 Cs 0 {3,S} {5,S} {6,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {1,S} {5,S} {8,S} -5 Cs 0 {2,S} {4,S} {10,S} -6 C 0 {2,S} {7,D} -7 C 0 {1,S} {6,D} -8 Cs 0 {4,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {5,S} {9,S} - -bicyclo[3.2.1]oct{a/e}ne -Union{bicyclo[3.2.1]octane,bicyclo[3.2.1]octene} - -bicyclo[3.2.1]octane -1 * Cs 0 {2,S} {6,S} {8,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} {7,S} -6 Cs 0 {1,S} {5,S} -7 Cs 0 {5,S} {8,S} -8 Cs 0 {1,S} {7,S} - -tricyclo[4.2.1.1(2.5)]decane -1 * Cs 0 {2,S} {6,S} {8,S} -2 Cs 0 {1,S} {3,S} {9,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} {10,S} -5 Cs 0 {4,S} {6,S} {7,S} -6 Cs 0 {1,S} {5,S} -7 Cs 0 {5,S} {8,S} -8 Cs 0 {1,S} {7,S} -9 Cs 0 {2,S} {10,S} -10 Cs 0 {4,S} {9,S} - -bicyclo[3.2.1]octene -1 * Cs 0 {2,S} {6,S} {8,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} {7,S} -6 Cs 0 {1,S} {5,S} -7 Cs 0 {5,S} {8,S} -8 Cs 0 {1,S} {7,S} - -ind{a/e}ne -Union {indane, indene, cis-octahydro-1H-indene, hexahydro-1H-indene, tetrahydro-1H-indene } - -indane -1 * Cs 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} -4 C 0 {2,S} {5,B} {6,B} -5 C 0 {3,S} {4,B} {7,B} -6 C 0 {4,B} {8,B} -7 C 0 {5,B} {9,B} -8 C 0 {6,B} {9,B} -9 C 0 {7,B} {8,B} - -indene -1 * Cs 0 {2,S} {4,S} -2 C 0 {1,S} {3,B} {5,B} -3 C 0 {2,B} {6,S} {7,B} -4 C 0 {1,S} {6,D} -5 C 0 {2,B} {8,B} -6 C 0 {3,S} {4,D} -7 C 0 {3,B} {9,B} -8 C 0 {5,B} {9,B} -9 C 0 {7,B} {8,B} - -cis-octahydro-1H-indene -1 * Cs 0 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} {5,S} {6,S} -3 Cs 0 {1,S} {9,S} -4 Cs 0 {1,S} {7,S} -5 Cs 0 {2,S} {8,S} -6 Cs 0 {2,S} {9,S} -7 Cs 0 {4,S} {8,S} -8 Cs 0 {5,S} {7,S} -9 Cs 0 {3,S} {6,S} - -tricyclo[4.3.1.0(3.7)]decane -1 * Cs 0 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} {5,S} {6,S} -3 Cs 0 {1,S} {9,S} -4 Cs 0 {1,S} {7,S} -5 Cs 0 {2,S} {8,S} -6 Cs 0 {2,S} {9,S} {10,S} -7 Cs 0 {4,S} {8,S} {10,S} -8 Cs 0 {5,S} {7,S} -9 Cs 0 {3,S} {6,S} -10 Cs 0 {6,S} {7,S} - -tricyclo[4.3.1.0(3.8)]decane -1 * Cs 0 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} {5,S} {6,S} -3 Cs 0 {1,S} {9,S} -4 Cs 0 {1,S} {7,S} -5 Cs 0 {2,S} {8,S} -6 Cs 0 {2,S} {9,S} -7 Cs 0 {4,S} {8,S} {10,S} -8 Cs 0 {5,S} {7,S} -9 Cs 0 {3,S} {6,S} {10,S} -10 Cs 0 {9,S} {7,S} - -hexahydro-1H-indene -Union {2.3.3a.4.5.6-hexahydro-1H-indene, 2.4.5.6.7.7a-hexahydro-1H-indene, 2.3.3a.4.5.7a-hexahydro-1H-indene, 2.3.3a.4.7.7a-hexahydro-1H-indene, 3a.4.5.6.7.7a-hexahydro-1H-indene, 2.3.4.5.6.7-hexahydro-1H-indene} - -2.3.4.5.6.7-hexahydro-1H-indene -1 * Cs 0 {2,S} {9,S} -2 Cd 0 {1,S} {3,S} {7,D} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cd 0 {2,D} {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {1,S} {8,S} - -3a.4.5.6.7.7a-hexahydro-1H-indene -1 * Cs 0 {2,S} {9,S} -2 Cs 0 {1,S} {3,S} {7,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {2,S} {6,S} {8,S} -8 Cd 0 {7,S} {9,D} -9 Cd 0 {1,S} {8,D} - -2.3.3a.4.5.6-hexahydro-1H-indene -1 * Cs 0 {2,S} {9,S} -2 Cd 0 {1,S} {3,D} {7,S} -3 Cd 0 {2,D} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {2,S} {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {1,S} {8,S} - -2.4.5.6.7.7a-hexahydro-1H-indene -1 * Cd 0 {2,D} {5,S} {9,S} -2 Cd 0 {1,D} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {1,S} {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {1,S} {8,S} - -2.3.3a.4.5.7a-hexahydro-1H-indene -1 * Cs 0 {2,S} {5,S} {9,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {1,S} {4,S} {6,S} -6 Cd 0 {5,S} {7,D} -7 Cd 0 {6,D} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {1,S} {8,S} - -2.3.3a.4.7.7a-hexahydro-1H-indene -1 * Cs 0 {2,S} {5,S} {9,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {1,S} {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cd 0 {6,S} {8,D} -8 Cd 0 {7,D} {9,S} -9 Cs 0 {1,S} {8,S} - -tetrahydro-1H-indene -Union {2.3.4.5-tetrahydro-1H-indene, 2.3.4.7-tetrahydro-1H-indene, 2.3.3a.7a-tetrahydro-1H-indene, C12CCCC1=CCC=C2, 2.3.3a.4-tetrahydro-1H-indene, 2.3.5.6-tetrahydro-1H-indene, 2.6.7.7a-tetrahydro-1H-indene } - -2.3.4.5-tetrahydro-1H-indene -1 * Cd 0 {2,S} {5,D} {9,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cd 0 {1,D} {4,S} {6,S} -6 Cd 0 {5,S} {7,D} -7 Cd 0 {6,D} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {1,S} {8,S} - -2.3.4.7-tetrahydro-1H-indene -1 * Cd 0 {2,S} {5,D} {9,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cd 0 {1,D} {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cd 0 {6,S} {8,D} -8 Cd 0 {7,D} {9,S} -9 Cs 0 {1,S} {8,S} - -2.3.3a.4-tetrahydro-1H-indene -1 * Cd 0 {2,S} {5,S} {9,D} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {1,S} {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cd 0 {6,S} {8,D} -8 Cd 0 {7,D} {9,S} -9 Cd 0 {1,D} {8,S} - -2.3.5.6-tetrahydro-1H-indene -1 * Cd 0 {2,S} {5,S} {9,D} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cd 0 {1,S} {4,S} {6,D} -6 Cd 0 {5,D} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cd 0 {1,D} {8,S} - -C12CCCC1=CCC=C2 -1 * Cs 0 {2,S} {9,S} -2 Cd 0 {1,S} {3,D} {7,S} -3 Cd 0 {2,D} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {5,D} {7,S} -7 Cs 0 {2,S} {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {1,S} {8,S} - -2.3.3a.7a-tetrahydro-1H-indene -1 * Cs 0 {2,S} {5,S} {9,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {1,S} {4,S} {6,S} -6 Cd 0 {5,S} {7,D} -7 Cd 0 {6,D} {8,S} -8 Cd 0 {7,S} {9,D} -9 Cd 0 {1,S} {8,D} - -2.6.7.7a-tetrahydro-1H-indene -1 * Cs 0 {2,S} {5,S} {9,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {1,S} {4,D} {6,S} -6 Cd 0 {5,S} {7,D} -7 Cd 0 {6,D} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {1,S} {8,S} - -pental{a/e}ne -Union {octahydropentalene, hexahydropentalene, tetrahydropentalene } - -octahydropentalene -1 * Cs 0 {2,S} {5,S} {8,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {1,S} {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {1,S} {7,S} - -tricyclo[5.2.1.0(4.10)]decane -1 * Cs 0 {2,S} {9,S} {10,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} {10,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} {10,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {1,S} {8,S} -10 Cs 0 {1,S} {4,S} {7,S} - -tricyclo[5.2.1.0(4.8)]decane -1 Cs 0 {2,S} {10,S} -2 Cs 0 {1,S} {3,S} {9,S} -3 Cs 0 {2,S} {4,S} -4 * Cs 0 {3,S} {5,S} {10,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} {10,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {2,S} {8,S} -10 Cs 0 {1,S} {4,S} {7,S} - -tricyclo[4.2.2.0(1.5)]decane -1 * Cs 0 {2,S} {5,S} {8,S} {10,S} -2 Cs 0 {1,S} {3,S} {6,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {1,S} {4,S} -6 Cs 0 {2,S} {7,S} {9,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {1,S} {7,S} -9 Cs 0 {6,S} {10,S} -10 Cs 0 {1,S} {9,S} - -tricyclo[5.3.0.0(4.10)]decane -1 * Cs 0 {2,S} {5,S} {10,S} -2 Cs 0 {1,S} {3,S} {8,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {1,S} {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {2,S} {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {1,S} {9,S} - -hexahydropentalene -Union {1.2.3.3a.4.6a-hexahydropentalene, 1.2.3.3a.4.5-hexahydropentalene } - -1.2.3.3a.4.6a-hexahydropentalene -1 * Cs 0 {2,S} {5,S} {8,S} -2 Cs 0 {1,S} {3,S} {6,S} -3 Cs 0 {2,S} {4,S} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {1,S} {4,D} -6 Cs 0 {2,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {1,S} {7,S} - -1.2.3.3a.4.5-hexahydropentalene -1 * Cs 0 {2,S} {5,S} {8,S} -2 Cd 0 {1,S} {3,D} {6,S} -3 Cd 0 {2,D} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {1,S} {4,S} -6 Cs 0 {2,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {1,S} {7,S} - -tetrahydropentalene -Union {1.3a.4.6a-tetrahydropentalene, 1.3a.6.6a-tetrahydropentalene, 1.2.6.6a-tetrahydropentalene, C12CCC=C1CC=C2 } - -1.3a.4.6a-tetrahydropentalene -1 * Cs 0 {2,S} {5,S} {8,S} -2 Cs 0 {1,S} {3,S} {6,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {3,D} {5,S} -5 Cs 0 {1,S} {4,S} -6 Cs 0 {2,S} {7,S} -7 Cd 0 {6,S} {8,D} -8 Cd 0 {1,S} {7,D} - -1.3a.6.6a-tetrahydropentalene -1 * Cs 0 {2,S} {5,S} {8,S} -2 Cs 0 {1,S} {3,S} {6,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {3,D} {5,S} -5 Cs 0 {1,S} {4,S} -6 Cd 0 {2,S} {7,D} -7 Cd 0 {6,D} {8,S} -8 Cs 0 {1,S} {7,S} - -1.2.6.6a-tetrahydropentalene -1 * Cs 0 {2,S} {5,S} {8,S} -2 Cd 0 {1,S} {3,S} {6,D} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {3,D} {5,S} -5 Cs 0 {1,S} {4,S} -6 Cd 0 {2,D} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {1,S} {7,S} - -C12CCC=C1CC=C2 -1 * Cd 0 {2,S} {5,S} {8,D} -2 Cs 0 {1,S} {3,S} {6,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {3,D} {5,S} -5 Cs 0 {1,S} {4,S} -6 Cs 0 {2,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cd 0 {1,D} {7,S} - - -sided3memberedring -Union {bicyclo-(1.1.0)-butane, bicyclo-(2.1.0)-pentane, bicyclo-(3.1.0)-hexane, bicyclo-(4.1.0)-hept{a/e}ne, bicyclo-(5.1.0)-octane, bicyclo-(6.1.0)-nonane } - -bicyclo-(1.1.0)-butane -1 * Cs 0 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {1,S} {2,S} - -bicyclo-(2.1.0)-pentane -1 * Cs 0 {2,S} {3,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {2,S} {5,S} -5 Cs 0 {1,S} {4,S} - -bicyclo-(3.1.0)-hexane -1 * Cs 0 {2,S} {3,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {2,S} {6,S} -5 Cs 0 {1,S} {6,S} -6 Cs 0 {4,S} {5,S} - -bicyclo-(4.1.0)-hept{a/e}ne -1 * Cs 0 {2,S} {3,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {2,S} {6,{S,D}} -5 Cs 0 {1,S} {7,S} -6 Cs 0 {4,{S,D}} {7,S} -7 Cs 0 {5,S} {6,S} - -bicyclo-(4.1.0)-heptane -1 * Cs 0 {2,S} {3,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {2,S} {6,S} -5 Cs 0 {1,S} {7,S} -6 Cs 0 {4,S} {7,S} -7 Cs 0 {5,S} {6,S} - -bicyclo-(4.1.0)-hept-2-ene -1 * Cs 0 {2,S} {3,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {2,S} {6,D} -5 Cs 0 {1,S} {7,S} -6 Cs 0 {4,D} {7,S} -7 Cs 0 {5,S} {6,S} - -1.1a.3a.4.5.6.6a.6b-octahydrocyclopropa[e]indene -1 * Cs 0 {2,S} {3,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {2,S} {6,D} -5 Cs 0 {1,S} {7,S} {10,S} -6 Cs 0 {4,D} {7,S} -7 Cs 0 {5,S} {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {5,S} - -bicyclo-(5.1.0)-octane -1 * Cs 0 {2,S} {3,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {2,S} {6,S} -5 Cs 0 {1,S} {8,S} -6 Cs 0 {4,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {5,S} {7,S} - -bicyclo-(6.1.0)-nonane -1 * Cs 0 {2,S} {3,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {2,S} {6,S} -5 Cs 0 {1,S} {9,S} -6 Cs 0 {4,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {5,S} {8,S} - -//Remaining groups - -bicyclo(2.2.1)hepta-2.5-diene -1 * C 0 {3,S} {4,S} {7,S} -2 C 0 {3,S} {5,S} {6,S} -3 Cs 0 {1,S} {2,S} -4 C 0 {1,S} {5,D} -5 C 0 {2,S} {4,D} -6 C 0 {2,S} {7,D} -7 C 0 {1,S} {6,D} - -biphenylene -1 * C 0 {2,B} {4,S} {6,B} -2 C 0 {1,B} {3,S} {5,B} -3 C 0 {2,S} {4,B} {7,B} -4 C 0 {1,S} {3,B} {8,B} -5 C 0 {2,B} {9,B} -6 C 0 {1,B} {10,B} -7 C 0 {3,B} {11,B} -8 C 0 {4,B} {12,B} -9 C 0 {5,B} {10,B} -10 C 0 {6,B} {9,B} -11 C 0 {7,B} {12,B} -12 C 0 {8,B} {11,B} - -spiropentane -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {1,S} {5,S} -5 Cs 0 {1,S} {4,S} - -bicyclo[2.1.1]hexane -1 * Cs 0 {3,S} {4,S} {6,S} -2 Cs 0 {3,S} {4,S} {5,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {1,S} {2,S} -5 Cs 0 {2,S} {6,S} -6 Cs 0 {1,S} {5,S} - - -bicyclo[2.2.0]hexane -1 * Cs 0 {2,S} {3,S} {6,S} -2 Cs 0 {1,S} {4,S} {5,S} -3 Cs 0 {1,S} {4,S} -4 Cs 0 {2,S} {3,S} -5 Cs 0 {2,S} {6,S} -6 Cs 0 {1,S} {5,S} - -bicyclo[1.1.1]pentane -1 * Cs 0 {3,S} {4,S} {5,S} -2 Cs 0 {3,S} {4,S} {5,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {1,S} {2,S} -5 Cs 0 {1,S} {2,S} - -bicyclo[2.2.2]octane -1 * Cs 0 {3,S} {6,S} {8,S} -2 Cs 0 {4,S} {5,S} {7,S} -3 Cs 0 {1,S} {4,S} -4 Cs 0 {2,S} {3,S} -5 Cs 0 {2,S} {6,S} -6 Cs 0 {1,S} {5,S} -7 Cs 0 {2,S} {8,S} -8 Cs 0 {1,S} {7,S} - -tricyclo[4.4.0.0(3.8)]decane -1 * Cs 0 {2,S} {6,S} {10,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} {9,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {1,S} {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {4,S} {8,S} {10,S} -10 Cs 0 {1,S} {9,S} - -bicyclo[2.1.1]hex-2-ene -1 * Cs 0 {3,S} {4,S} {6,S} -2 Cs 0 {3,S} {4,S} {5,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {1,S} {2,S} -5 C 0 {2,S} {6,D} -6 C 0 {1,S} {5,D} - -methylidenebicyclo[2.2.1]heptane -1 * Cs 0 {3,S} {4,S} {7,S} -2 Cs 0 {3,S} {5,S} {6,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {1,S} {5,S} -5 Cs 0 {2,S} {4,S} -6 Cs 0 {2,S} {7,S} -7 Cd 0 {1,S} {6,S} {8,D} -8 Cd 0 {7,D} - -bicyclo[2.2.0]hex-2-ene -1 * Cs 0 {2,S} {3,S} {6,S} -2 Cs 0 {1,S} {4,S} {5,S} -3 Cs 0 {1,S} {4,S} -4 Cs 0 {2,S} {3,S} -5 C 0 {2,S} {6,D} -6 C 0 {1,S} {5,D} - -bicyclo[2.2.0]hex-1(4)-ene -1 * Cs 0 {2,S} {6,S} -2 Cs 0 {1,S} {5,S} -3 Cs 0 {4,S} {6,S} -4 Cs 0 {3,S} {5,S} -5 C 0 {2,S} {4,S} {6,D} -6 C 0 {1,S} {3,S} {5,D} - -bicyclo[2.1.0]pent-1(4)-ene -1 * C 0 {2,S} {5,S} -2 C 0 {1,S} {4,S} -3 C 0 {4,S} {5,S} -4 C 0 {2,S} {3,S} {5,D} -5 C 0 {1,S} {3,S} {4,D} - -bicyclo[2.1.0]pent-2-ene -1 * Cs 0 {2,S} {3,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 Cs 0 {1,S} {2,S} -4 C 0 {2,S} {5,D} -5 C 0 {1,S} {4,D} - -tricyclo[4.4.0.0(3.9)]decane -1 * Cs 0 {2,S} {6,S} {10,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} {9,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {1,S} {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {3,S} {8,S} {10,S} -10 Cs 0 {1,S} {9,S} - diff --git a/output/RMG_database/thermo_groups/Polycyclic_Library.txt b/output/RMG_database/thermo_groups/Polycyclic_Library.txt deleted file mode 100644 index 3f4a0be4a0..0000000000 --- a/output/RMG_database/thermo_groups/Polycyclic_Library.txt +++ /dev/null @@ -1,90 +0,0 @@ -0 PolycyclicRing 0 0 0 0 0 0 0 0 0 0 0 0 //Properties of Liquids and Gases, Poling 5th Ed. - -// General comments -// -// A.G. Vandeputte -// This database has been completely rearranged and most nodes have been filled with PM3 S en cp`s. I kept almost all ring strains that Nick Vandewiele has -// introduced. -// - -1 norborn{a/e}ne norbornane -2 norbornane 16.14 53.47 -4.5 -3.942 -3.291 -2.759 -2.08 -1.628 -0.898 0 0 0 //ring strain N. Vandewiele, S and cp modified by A. G. Vandeputte to match BMK/6-311G(2d,d,p) data -3 exo-tricyclo[5.2.1.0(2.6)]decane 17.68 78.53 -15.018 -13.783 -12.193 -10.63 -8.502 -6.688 -4.111 0 0 0 //Modified Aaron G. Vandeputte to make estimates in agreement with value of Hudzik et al. 2010 -4 exo-tricyclo[5.2.1.0(2.6)]decene 22.65 78.53 -15.018 -13.783 -12.193 -10.63 -8.502 -6.688 -4.111 0 0 0 //Automated Estimation of Ring Strain Energies, Gasteiger, 1978 S, Cp from exo-tricyclo[5.2.1.0(2.6)]decane -5 exo-tricyclo[5.2.1.0(1.5)]decane 23.86 78.53 -15.018 -13.783 -12.193 -10.63 -8.502 -6.688 -4.111 0 0 0 //Automated Estimation of Ring Strain Energies, Gasteiger, 1978 S, Cp from exo-tricyclo[5.2.1.0(2.6)]decane -6 tricyclo[5.2.1.0(3.8)]decane 19.26 78.53 -15.018 -13.783 -12.193 -10.63 -8.502 -6.688 -4.111 0 0 0 //Automated Estimation of Ring Strain Energies, Gasteiger, 1978 S, Cp from exo-tricyclo[5.2.1.0(2.6)]decane -7 norbornene 17.8 53.75 -8.29 -7.302 -6.501 -5.499 -4.58 -3.778 -2.608 0 0 0 //A. G. Vandeputte CBS-QB3 isodesmic reaction, norbornene + 7 ethane -> 2-butene + 2 isobutane + 3 propane, experimental data from the NIST Chemical Webbook -8 exo-tricyclo[5.2.1.0(2.6)]dec-8-ene 22.83 79.45 -12.29 -11.16 -10.04 -8.64 -7.12 -5.72 -3.81 0 0 0 //A. G. Vandeputte CBS-QB3 isodesmic reaction, S and cp match B3LYP/cbsb7 data, CHECK - - -9 ind{a/e}ne indane -10 indane 5.54 25.35 -5.23 -5.21 -4.30 -2.86 -0.88 -0.71 1.40 0 0 0 //Verevkin (2011), experimental, S and cp from PM7 -11 indene 2.1 33.08 -3.88 -4.29 -3.89 -2.96 -1.83 -2.20 -1.31 0 0 0 //Verevkin (2011), experimental, S and cp from PM7 -12 cis-octahydro-1H-indene 8.21 47.72 -11.91 -10.762 -9.241 -7.769 -5.56 -3.888 -1.388 0 0 0 //ring strain N. Vandewiele, S and cp modified by A. G. Vandeputte to match BMK/6-311G(2d,d,p) data -13 tricyclo[4.3.1.0(3.7)]decane 20.77 78.58 -15.58 -14.70 -12.37 -9.37 -5.42 -4.64 -1.58 0 0 0 //Automated Estimation of Ring Strain Energies, Gasteiger, 1978 S, Cp from PM7 -14 tricyclo[4.3.1.0(3.8)]decane 18.29 75.75 -16.03 -15.03 -12.57 -9.46 -5.47 -4.74 -1.59 0 0 0 //Automated Estimation of Ring Strain Energies, Gasteiger, 1978 S, Cp from PM7 -15 hexahydro-1H-indene 2.4.5.6.7.7a-hexahydro-1H-indene -16 2.3.3a.4.5.6-hexahydro-1H-indene 9.0 47.04 -9.8 -9.0 -7.9 -6.5 -4.7 -3.4 -1.3 0 0 0 //A. G. Vandeputte CBS-QB3 isodesmic reaction, S and cp match B3LYP/cbsb7 data -17 2.4.5.6.7.7a-hexahydro-1H-indene 9.0 45.3 -8.0 -7.6 -6.8 -5.7 -4.3 -3.3 -2.1 0 0 0 //ring strain 2.3.3a.4.5.6-hexahydro-1H-indene, S and cp modified by A. G. Vandeputte to match BMK/6-311G(2d,p) data -18 2.3.3a.4.5.7a-hexahydro-1H-indene 2.4.5.6.7.7a-hexahydro-1H-indene -19 2.3.3a.4.7.7a-hexahydro-1H-indene 2.4.5.6.7.7a-hexahydro-1H-indene -20 2.3.4.5.6.7-hexahydro-1H-indene 2.4.5.6.7.7a-hexahydro-1H-indene -21 3a.4.5.6.7.7a-hexahydro-1H-indene 2.4.5.6.7.7a-hexahydro-1H-indene -22 tetrahydro-1H-indene 2.3.3a.7a-tetrahydro-1H-indene -23 2.3.3a.7a-tetrahydro-1H-indene 10.1 45.3 -8.0 -7.6 -6.8 -5.7 -4.3 -3.3 -2.1 0 0 0 //ring strain N. Vandewiele, S and cp taken from 2.4.5.6.7.7a-hexahydro-1H-indene -24 C12CCCC1=CCC=C2 6.8 45.3 -8.0 -7.6 -6.8 -5.7 -4.3 -3.3 -2.1 0 0 0 //ring strain N. Vandewiele, S and cp taken from 2.4.5.6.7.7a-hexahydro-1H-indene -25 2.3.4.5-tetrahydro-1H-indene 2.3.3a.7a-tetrahydro-1H-indene -26 2.3.4.7-tetrahydro-1H-indene 2.3.3a.7a-tetrahydro-1H-indene -27 2.3.3a.4-tetrahydro-1H-indene 2.3.3a.7a-tetrahydro-1H-indene -28 2.3.5.6-tetrahydro-1H-indene 2.3.3a.7a-tetrahydro-1H-indene -29 2.6.7.7a-tetrahydro-1H-indene 2.3.3a.7a-tetrahydro-1H-indene - -30 pental{a/e}ne octahydropentalene -31 octahydropentalene 10.3 54.09 -11.52 -10.59 -8.62 -6.18 -2.88 -2.26 0.09 0 0 0 //Automated Estimation of Ring Strain Energies, Gasteiger, 1978, S, Cp from PM7 -32 tricyclo[5.2.1.0(4.10)]decane 15.68 78.53 -15.018 -13.783 -12.193 -10.63 -8.502 -6.688 -4.111 0 0 0 //Modified Aaron G. Vandeputte, kept enthalpy Nick Vandewiele, modified S and cp to be equal to exo-tricyclo[5.2.1.0(2.6)] -33 tricyclo[5.2.1.0(4.8)]decane 21.48 78.96 -15.60 -14.69 -12.36 -9.34 -5.40 -4.64 -1.58 0 0 0 //Automated Estimation of Ring Strain Energies, Gasteiger, 1978 S, Cp from PM7 -34 tricyclo[4.2.2.0(1.5)]decane 29.65 82.23 -15.15 -14.51 -12.47 -9.72 -5.97 -5.19 -1.39 0 0 0 //Automated Estimation of Ring Strain Energies, Gasteiger, 1978 S, Cp from PM7 -35 tricyclo[5.3.0.0(4.10)]decane 20.74 77.45 -15.50 -14.55 -12.19 -9.17 -5.28 -4.57 -1.53 0 0 0 //Automated Estimation of Ring Strain Energies, Gasteiger, 1978 S, Cp from PM7 -36 hexahydropentalene 1.2.3.3a.4.6a-hexahydropentalene -37 1.2.3.3a.4.6a-hexahydropentalene 9.76 51.17 -8.84 -8 -7.03 -5.94 -4.62 -3.53 -1.94 0 0 0 //A.G. Vandeputte isodesmic reactions + B3LYP/cbsb7 S and cp -38 1.2.3.3a.4.5-hexahydropentalene 13.8 50.57 -8.85 -8.16 -7.22 -6.08 -4.66 -3.57 -1.84 0 0 0 //A.G. Vandeputte isodesmic reactions + B3LYP/cbsb7 S and cp -39 tetrahydropentalene 1.3a.4.6a-tetrahydropentalene -40 1.3a.4.6a-tetrahydropentalene 10.0 51.64 -8.57 -7.46 -6.33 -5.3 -4.01 -3.25 -1.79 0 0 0 //ring strain N. Vandewiele, S and cp taken from C12CCC=C1CC=C2 -41 1.3a.6.6a-tetrahydropentalene C12CCC=C1CC=C2 -42 1.2.6.6a-tetrahydropentalene C12CCC=C1CC=C2 -43 C12CCC=C1CC=C2 14.2 51.64 -8.57 -7.46 -6.33 -5.3 -4.01 -3.25 -1.79 0 0 0 //A. G. Vandeputte CBS-QB3 isodesmic reaction, C12CCC=C1CC=C2 + 3 ethane -> cyclopentene + isobutane + 2-methyl-2-butene, experimental data from the NIST Chemical Webbook - -44 sided3memberedring bicyclo-(1.1.0)-butane -45 bicyclo-(1.1.0)-butane 65.52 69.90 -4.74 -5.18 -4.85 -4.17 -3.61 -4.01 -3.22 0 0 0 //Modified to match experimental data from NIST, S and cp from PM7 calculation -46 bicyclo-(2.1.0)-pentane 55.38 64.73 -6.70 -6.66 -5.78 -4.57 -3.31 -3.56 -2.35 0 0 0 //Properties of Liquids and Gases, Poling 5th Ed. S, Cp from PM7 calculation -47 bicyclo-(3.1.0)-hexane 32.75 61.25 -8.27 -8.01 -6.85 -5.27 -3.32 -3.20 -1.60 0 0 0 //Properties of Liquids and Gases, Poling 5th Ed. S, Cp from PM7 calculation -48 bicyclo-(4.1.0)-hept{a/e}ne bicyclo-(4.1.0)-heptane -49 bicyclo-(4.1.0)-heptane 28.95 57.69 -9.33 -8.86 -7.46 -5.59 -3.08 -2.67 -0.76 0 0 0 //Properties of Liquids and Gases, Poling 5th Ed. S, Cp from PM7 calculation -50 bicyclo-(4.1.0)-hept-2-ene bicyclo-(4.1.0)-heptane -51 1.1a.3a.4.5.6.6a.6b-octahydrocyclopropa[e]indene bicyclo-(4.1.0)-heptane -52 bicyclo-(5.1.0)-octane 29.64 51.29 -10.29 -9.54 -7.86 -5.68 -2.67 -2.04 0.13 0 0 0 //Properties of Liquids and Gases, Poling 5th Ed. S, Cp from PM7 calculation -53 bicyclo-(6.1.0)-nonane 31.14 48.46 -11.04 -10.02 -8.09 -5.64 -2.16 -1.32 1.06 0 0 0 //Properties of Liquids and Gases, Poling 5th Ed. S, Cp from PM7 calculation - -54 bicyclo(2.2.1)hepta-2.5-diene 31.64 57.61 -9.88 -8.43 -6.65 -4.77 -2.79 -3.10 -1.54 0 0 0 //Properties of Liquids and Gases, Poling 5th Ed. S, Cp from PM7 calculation -55 biphenylene 58.88 31.69 -3.33 -4.84 -5.11 -4.26 -2.86 -2.67 -1.23 0 0 0 //Properties of Liquids and Gases, Poling 5th Ed. S, Cp from PM7 calculation -56 spiropentane 63.59 67.15 -5.93 -6.50 -6.24 -5.50 -4.40 -4.35 -2.38 0 0 0 //Properties of Liquids and Gases, Poling 5th Ed. S, Cp from PM7 calculation -57 bicyclo[2.1.1]hexane 37 57.98 -8.92 -8.22 -6.65 -4.79 -2.85 -3.09 -1.39 0 0 0 //Wiberg, K. Angew. Chem., Int. Ed. Engl. 1986, 25, 312 1986 ab initio, S, Cp from PM7 calculation -58 bicyclo[2.2.0]hexane 51.8 59.94 -8.54 -8.07 -6.70 -4.98 -3.04 -3.10 -1.48 0 0 0 //Wiberg, K. Angew. Chem., Int. Ed. Engl. 1986, 25, 312 1986 experimental S, Cp from PM7 calculation -59 bicyclo[1.1.1]pentane 68 62.36 -6.64 -6.32 -5.24 -3.91 -2.78 -3.31 -2.12 0 0 0 //Wiberg, K. Angew. Chem., Int. Ed. Engl. 1986, 25, 312 1986 ab initio S, Cp from PM7 calculation -60 bicyclo[2.2.2]octane 7.4 48.92 -12.00 -11.01 -8.96 -6.42 -3.03 -2.40 0.05 0 0 0 //Wiberg, K. Angew. Chem., Int. Ed. Engl. 1986, 25, 312 1986 experimental S, Cp from PM7 calculation -61 bicyclo[2.1.1]hex-2-ene 51 58.93 -6.86 -6.73 -5.82 -4.20 -2.93 -3.36 -1.97 0 0 0 //Wiberg, K. Angew. Chem., Int. Ed. Engl. 1986, 25, 312 1986 ab initio S, Cp from PM7 calculations -62 methylidenebicyclo[2.2.1]heptane 14.6 50.85 -9.27 -8.28 -7.29 -6.18 -4.88 -3.81 -2.22 0 0 0 //A.G. Vandeputte isodesmic reactions + B3LYP/cbsb7 S and cp, CHECK! -63 bicyclo[2.2.0]hex-2-ene 55.7 60.79 -6.35 -6.47 -5.81 -4.36 -3.10 -3.34 -2.05 0 0 0 //Wiberg, K. Angew. Chem., Int. Ed. Engl. 1986, 25, 312 1986 experimental S, Cp from PM7 calculation -64 bicyclo[2.2.0]hex-1(4)-ene 87 58.64 -6.40 -6.61 -5.83 -4.57 -3.17 -3.27 -1.87 0 0 0 //Wiberg, K. Angew. Chem., Int. Ed. Engl. 1986, 25, 312 1986 ab initio S, Cp from PM7 calculation -65 bicyclo[2.1.0]pent-1(4)-ene 126 66.41 -4.52 -5.35 -5.15 -4.39 -3.54 -3.73 -2.70 0 0 0 //Wiberg, K. Angew. Chem., Int. Ed. Engl. 1986, 25, 312 1986 ab initio, S, Cp from PM7 calculation -66 bicyclo[2.1.0]pent-2-ene 67.9 65.71 -4.56 -5.10 -4.92 -3.97 -3.38 -3.81 -2.92 0 0 0 //Wiberg, K. Angew. Chem., Int. Ed. Engl. 1986, 25, 312 1986 experimental S, Cp from PM7 calculation -67 tricyclo[4.4.0.0(3.9)]decane 30.90 75.36 -16.09 -14.97 -12.40 -9.23 -5.27 -4.66 -1.50 0 0 0 //Automated Estimation of Ring Strain Energies, Gasteiger, 1978 S, Cp copied from cyclopentane -69 tricyclo[4.4.0.0(3.8)]decane 26.12 75.25 -16.13 -15.02 -12.47 -9.29 -5.32 -4.70 -1.53 0 0 0 //Automated Estimation of Ring Strain Energies, Gasteiger, 1978 S, Cp copied from cyclohexane - -70 bicyclo[3.2.1]oct{a/e}ne bicyclo[3.2.1]octane -71 bicyclo[3.2.1]octane 8.5 48.66 -11.2 -9.9 -8.4 -7.1 -5.2 -3.8 -1.7 0 0 0 // A.G Vandeputte CBS-QB3, isodesmic reactions approach -72 tricyclo[4.2.1.1(2.5)]decane 22.5 77.13 -15.1 -13.4 -11.6 -10.0 -7.8 -6.1 -3.7 0 0 0 // A.G Vandeputte CBS-QB3, reaction JP10 <-> tricyclo[4.2.1.1(2.5)]decane -73 bicyclo[3.2.1]octene 8.5 48.61 -9.3 -8.3 -7.2 -6.1 -4.8 -3.6 -2.0 0 0 0 // A.G Vandeputte CBS-QB3, isodesmic reactions approach - - - diff --git a/output/RMG_database/thermo_groups/Polycyclic_Tree.txt b/output/RMG_database/thermo_groups/Polycyclic_Tree.txt deleted file mode 100644 index c857e4fda7..0000000000 --- a/output/RMG_database/thermo_groups/Polycyclic_Tree.txt +++ /dev/null @@ -1,93 +0,0 @@ -// First hit will be the group that is recognized!!!! - -L0: PolycyclicRing - -// norborn{a/e}ne: fused 6/5/5 ring -// define before ind{a/e}ne - L1: norborn{a/e}ne - // norbornane was formerly bicyclo-(2.2.1)-heptane - L2: norbornane - L3: exo-tricyclo[5.2.1.0(2.6)]decane - L3: exo-tricyclo[5.2.1.0(2.6)]decene - L3: exo-tricyclo[5.2.1.0(1.5)]decane - L3: tricyclo[5.2.1.0(3.8)]decane - L2: norbornene - L3: exo-tricyclo[5.2.1.0(2.6)]dec-8-ene - -// bicyclo[3.2.1]oct{a/e}ne: fused: 5/6 (3.2.1 => 5 ring included 3 atoms of 6 ring) - - L1 :bicyclo[3.2.1]oct{a/e}ne - L2: bicyclo[3.2.1]octane - L3: tricyclo[4.2.1.1(2.5)]decane - L2: bicyclo[3.2.1]octene - -// ind{a/e}ne: 5 ring flanking 6 ring - L1: ind{a/e}ne - L2: indane - L2: indene - L2: cis-octahydro-1H-indene - L3: tricyclo[4.3.1.0(3.7)]decane - L3: tricyclo[4.3.1.0(3.8)]decane - L2: hexahydro-1H-indene - L3: 2.3.3a.4.5.6-hexahydro-1H-indene - L3: 2.4.5.6.7.7a-hexahydro-1H-indene - L3: 2.3.3a.4.5.7a-hexahydro-1H-indene - L3: 2.3.3a.4.7.7a-hexahydro-1H-indene - L3: 2.3.4.5.6.7-hexahydro-1H-indene - L3: 3a.4.5.6.7.7a-hexahydro-1H-indene - L2: tetrahydro-1H-indene - L3: 2.3.3a.7a-tetrahydro-1H-indene - L3: C12CCCC1=CCC=C2 - L3: 2.3.4.5-tetrahydro-1H-indene - L3: 2.3.4.7-tetrahydro-1H-indene - L3: 2.3.3a.4-tetrahydro-1H-indene - L3: 2.3.5.6-tetrahydro-1H-indene - L3: 2.6.7.7a-tetrahydro-1H-indene - -// pental{a/e}ne: 5 ring flanking 5 ring - L1: pental{a/e}ne - L2: octahydropentalene - L3: tricyclo[5.2.1.0(4.10)]decane - L3: tricyclo[5.2.1.0(4.8)]decane - L3: tricyclo[4.2.2.0(1.5)]decane - L3: tricyclo[5.3.0.0(4.10)]decane - L2: hexahydropentalene - L3: 1.2.3.3a.4.6a-hexahydropentalene - L3: 1.2.3.3a.4.5-hexahydropentalene - L2: tetrahydropentalene - L3: 1.3a.4.6a-tetrahydropentalene - L3: 1.3a.6.6a-tetrahydropentalene - L3: 1.2.6.6a-tetrahydropentalene - L3: C12CCC=C1CC=C2 - -// Sided three membered rings - L1: sided3memberedring - L2: bicyclo-(1.1.0)-butane - L2: bicyclo-(2.1.0)-pentane - L2: bicyclo-(3.1.0)-hexane - L2: bicyclo-(4.1.0)-hept{a/e}ne - L3: bicyclo-(4.1.0)-heptane - L3: bicyclo-(4.1.0)-hept-2-ene - L4: 1.1a.3a.4.5.6.6a.6b-octahydrocyclopropa[e]indene - L2: bicyclo-(5.1.0)-octane - L2: bicyclo-(6.1.0)-nonane - -// Remaining unstructured groups - - L1: bicyclo(2.2.1)hepta-2.5-diene - L1: biphenylene - L1: spiropentane - L1: bicyclo[2.1.1]hexane - L1: bicyclo[2.2.0]hexane - L1: bicyclo[1.1.1]pentane - L1: bicyclo[2.2.2]octane - L2: tricyclo[4.4.0.0(3.8)]decane - L1: bicyclo[2.1.1]hex-2-ene - L1: methylidenebicyclo[2.2.1]heptane - L1: bicyclo[2.2.0]hex-2-ene - L1: bicyclo[2.2.0]hex-1(4)-ene - L1: bicyclo[2.1.0]pent-1(4)-ene - L1: bicyclo[2.1.0]pent-2-ene - L1: tricyclo[4.4.0.0(3.9)]decane - - diff --git a/output/RMG_database/thermo_groups/Radical_Dictionary.txt b/output/RMG_database/thermo_groups/Radical_Dictionary.txt deleted file mode 100644 index 90a2adb409..0000000000 --- a/output/RMG_database/thermo_groups/Radical_Dictionary.txt +++ /dev/null @@ -1,1849 +0,0 @@ -// HBI Dictionary -// Joanna Yu -// May 07, 2004 -// -// August 12, 2003: Differentiation between triplet and singlet bira- -// dicals. A triplet is explicitly identified as -// having 2t free electrons, and a singlet as having -// 2s free electrons. -///////////////////////////////////////////////////////////////////// - -Radical -Union {RJ, RJ2, RJ3} -//1 * R {1,2,3} (new notation for RMGPy) - -RJ -1 * R 1 - -CJ -1 * C 1 - -CsJ -1 * Cs 1 - -CH3 -1 * C 1 {2,S} {3,S} {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs_P -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsCsJ -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - - -CCJ -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} - -RCCJ -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} - -bridgehead_norbornyl -1 * Cs 1 {3,S} {4,S} {7,S} -2 Cs 0 {3,S} {5,S} {6,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {1,S} {5,S} -5 Cs 0 {2,S} {4,S} -6 Cs 0 {2,S} {7,S} -7 Cs 0 {1,S} {6,S} - -7-norbornyl -1 Cs 0 {3,S} {4,S} {7,S} -2 Cs 0 {3,S} {5,S} {6,S} -3 * Cs 1 {1,S} {2,S} {8,S} -4 Cs 0 {1,S} {5,S} -5 Cs 0 {2,S} {4,S} -6 Cs 0 {2,S} {7,S} -7 Cs 0 {1,S} {6,S} -8 H 0 {3,S} - -2-norbornyl -1 Cs 0 {3,S} {4,S} {7,S} {8,S} -2 Cs 0 {3,S} {5,S} {6,S} -3 Cs 0 {1,S} {2,S} -4 * Cs 1 {1,S} {5,S} {9,S} -5 Cs 0 {2,S} {4,S} -6 Cs 0 {2,S} {7,S} -7 Cs 0 {1,S} {6,S} -8 H 0 {1,S} -9 H 0 {4,S} - -cyclopropane -1 * Cs 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {1,S} {2,S} -4 H 0 {1,S} - -cyclobutane -1 * Cs 1 {2,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {1,S} {3,S} -5 H 0 {1,S} - -cyclopropenyl-vinyl -1 C 0 {2,S} {3,S} -2 * C 1 {1,S} {3,D} -3 C 0 {1,S} {2,D} - -cyclopropenyl-allyl -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {1,S} {2,D} -4 H 0 {1,S} - -cyclobutene-vinyl -1 C 0 {2,S} {4,S} -2 C 0 {1,S} {3,S} -3 * C 1 {2,S} {4,D} -4 C 0 {1,S} {3,D} - -cyclobutene-allyl -1 * C 1 {2,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 Cd 0 {1,S} {3,D} -5 H 0 {1,S} - -cyclopentene-allyl -1 Cs 0 {2,S} {3,S} -2 C 0 {1,S} {5,S} -3 * C 1 {1,S} {4,S} {6,S} -4 Cd 0 {3,S} {5,D} -5 C 0 {2,S} {4,D} -6 H 0 {3,S} - -cyclohexene-allyl -1 C 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} -3 C 0 {1,S} {6,S} -4 * C 1 {2,S} {5,S} {7,S} -5 Cd 0 {4,S} {6,D} -6 C 0 {3,S} {5,D} -7 H 0 {4,S} - -cycloheptane -1 * Cs 1 {2,S} {7,S} {8,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {1,S} {6,S} -8 H 0 {1,S} - -spiro[2.2]pentane-secondary -1 Cs 0 {2,S} {3,S} {4,S} {5,S} -2 * Cs 1 {1,S} {3,S} {6,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {1,S} {5,S} -5 Cs 0 {1,S} {4,S} -6 H 0 {2,S} - - -bicyclo[1.1.0]butane-secondary -1 Cs 0 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 * Cs 1 {1,S} {2,S} {5,S} -4 Cs 0 {1,S} {2,S} -5 H 0 {3,S} - - -bicyclo[1.1.0]butane-tertiary -1 Cs 0 {2,S} {3,S} {4,S} -2 * Cs 1 {1,S} {3,S} {4,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {1,S} {2,S} - -bicyclo[2.1.0]pentane-tertiary -1 * Cs 1 {2,S} {3,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {2,S} {5,S} -5 Cs 0 {1,S} {4,S} - -bicyclo[2.1.0]pentane-secondary-C4 -1 Cs 0 {2,S} {3,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {2,S} {5,S} -5 * Cs 1 {1,S} {4,S} {6,S} -6 H 0 {5,S} - - -bicyclo[2.1.0]pentane-secondary-C3 -1 Cs 0 {2,S} {3,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 * Cs 1 {1,S} {2,S} {6,S} -4 Cs 0 {2,S} {5,S} -5 Cs 0 {1,S} {4,S} -6 H 0 {3,S} - -bicyclo[3.1.0]hexane-tertiary -1 * Cs 1 {2,S} {3,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {2,S} {6,S} -5 Cs 0 {1,S} {6,S} -6 Cs 0 {4,S} {5,S} - -bicyclo[3.1.0]hexane-C5-2 -1 Cs 0 {2,S} {3,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 Cs 0 {1,S} {2,S} -4 * Cs 1 {2,S} {6,S} {7,S} -5 Cs 0 {1,S} {6,S} -6 Cs 0 {4,S} {5,S} -7 H 0 {4,S} - -bicyclo[3.1.0]hexane-C5-3 -1 Cs 0 {2,S} {3,S} {5,S} {7,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {2,S} {6,S} -5 Cs 0 {1,S} {6,S} -6 * Cs 1 {4,S} {5,S} {8,S} -7 H 0 {1,S} -8 H 0 {6,S} - -bicyclo[3.1.0]hexane-C3 -1 Cs 0 {2,S} {3,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 * Cs 1 {1,S} {2,S} {8,S} -4 Cs 0 {2,S} {6,S} -5 Cs 0 {1,S} {6,S} -6 Cs 0 {4,S} {5,S} -8 H 0 {3,S} - -bicyclo[2.2.0]hexane-tertiary -1 * Cs 1 {2,S} {3,S} {6,S} -2 Cs 0 {1,S} {4,S} {5,S} -3 Cs 0 {1,S} {4,S} -4 Cs 0 {2,S} {3,S} -5 Cs 0 {2,S} {6,S} -6 Cs 0 {1,S} {5,S} - -bicyclo[2.2.0]hexane-secondary -1 Cs 0 {2,S} {3,S} {6,S} -2 Cs 0 {1,S} {4,S} {5,S} -3 * Cs 1 {1,S} {4,S} {7,S} -4 Cs 0 {2,S} {3,S} -5 Cs 0 {2,S} {6,S} -6 Cs 0 {1,S} {5,S} -7 H 0 {3,S} - -bicyclo[3.2.0]heptane-tertiary -1 * Cs 1 {2,S} {3,S} {6,S} -2 Cs 0 {1,S} {4,S} {5,S} -3 Cs 0 {1,S} {4,S} -4 Cs 0 {2,S} {3,S} -5 Cs 0 {2,S} {7,S} -6 Cs 0 {1,S} {7,S} -7 Cs 0 {5,S} {6,S} - -bicyclo[3.2.0]heptane-C5-2 -1 Cs 0 {2,S} {3,S} {6,S} -2 Cs 0 {1,S} {4,S} {5,S} -3 Cs 0 {1,S} {4,S} -4 Cs 0 {2,S} {3,S} -5 * Cs 1 {2,S} {7,S} {8,S} -6 Cs 0 {1,S} {7,S} -7 Cs 0 {5,S} {6,S} -8 H 0 {5,S} - -bicyclo[3.2.0]heptane-C5-3 -1 Cs 0 {2,S} {3,S} {6,S} -2 Cs 0 {1,S} {4,S} {5,S} -3 Cs 0 {1,S} {4,S} -4 Cs 0 {2,S} {3,S} -5 Cs 0 {2,S} {7,S} -6 Cs 0 {1,S} {7,S} -7 * Cs 1 {5,S} {6,S} {8,S} -8 H 0 {7,S} - -bicyclo[3.2.0]heptane-C5-6 -1 Cs 0 {2,S} {3,S} {6,S} -2 Cs 0 {1,S} {4,S} {5,S} -3 * Cs 1 {1,S} {4,S} {8,S} -4 Cs 0 {2,S} {3,S} -5 Cs 0 {2,S} {7,S} -6 Cs 0 {1,S} {7,S} -7 Cs 0 {5,S} {6,S} -8 H 0 {3,S} - -bicyclo[4.1.0]heptane-tertiary -1 * Cs 1 {2,S} {3,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {2,S} {6,S} -5 Cs 0 {1,S} {7,S} -6 Cs 0 {4,S} {7,S} -7 Cs 0 {5,S} {6,S} - -bicyclo[4.1.0]heptane-C6-2 -1 C 0 {2,S} {3,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 C 0 {1,S} {2,S} -4 * C 1 {2,S} {6,S} {8,S} -5 C 0 {1,S} {7,S} -6 Cs 0 {4,S} {7,S} -7 C 0 {5,S} {6,S} -8 H 0 {4,S} - -bicyclo[4.1.0]heptane-C6-3 -1 C 0 {2,S} {3,S} {5,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {1,S} {2,S} -4 Cs 0 {2,S} {6,S} -5 C 0 {1,S} {7,S} -6 * Cs 1 {4,S} {7,S} {8,S} -7 Cs 0 {5,S} {6,S} -8 H 0 {6,S} - -bicyclo[4.1.0]heptane-C3-7 -1 Cs 0 {2,S} {3,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 * C 1 {1,S} {2,S} {8,S} -4 C 0 {2,S} {6,S} -5 C 0 {1,S} {7,S} -6 C 0 {4,S} {7,S} -7 C 0 {5,S} {6,S} -8 H 0 {3,S} - -octahydro-pentalene-tertiary -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} {5,S} {6,S} -3 Cs 0 {1,S} {8,S} -4 Cs 0 {1,S} {7,S} -5 C 0 {2,S} {7,S} -6 C 0 {2,S} {8,S} -7 C 0 {4,S} {5,S} -8 C 0 {3,S} {6,S} - -octahydro-pentalene-C5-2 -1 Cs 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} -3 * C 1 {1,S} {8,S} {9,S} -4 C 0 {1,S} {7,S} -5 C 0 {2,S} {7,S} -6 C 0 {2,S} {8,S} -7 C 0 {4,S} {5,S} -8 Cs 0 {3,S} {6,S} -9 H 0 {3,S} - -octahydro-pentalene-C5-3 -1 C 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} -3 C 0 {1,S} {8,S} -4 Cs 0 {1,S} {7,S} -5 Cs 0 {2,S} {7,S} -6 C 0 {2,S} {8,S} -7 * C 1 {4,S} {5,S} {9,S} -8 C 0 {3,S} {6,S} -9 H 0 {7,S} - -bicyclo[4.2.0]octane-tertiary -1 * C 1 {2,S} {3,S} {6,S} -2 Cs 0 {1,S} {4,S} {5,S} -3 Cs 0 {1,S} {4,S} -4 C 0 {2,S} {3,S} -5 C 0 {2,S} {7,S} -6 Cs 0 {1,S} {8,S} -7 C 0 {5,S} {8,S} -8 C 0 {6,S} {7,S} - -bicyclo[4.2.0]octane-C6-2 -1 C 0 {2,S} {3,S} {6,S} -2 Cs 0 {1,S} {4,S} {5,S} -3 C 0 {1,S} {4,S} -4 C 0 {2,S} {3,S} -5 * C 1 {2,S} {7,S} {9,S} -6 C 0 {1,S} {8,S} -7 Cs 0 {5,S} {8,S} -8 C 0 {6,S} {7,S} -9 H 0 {5,S} - -bicyclo[4.2.0]octane-C6-3 -1 C 0 {2,S} {3,S} {6,S} -2 C 0 {1,S} {4,S} {5,S} -3 C 0 {1,S} {4,S} -4 C 0 {2,S} {3,S} -5 Cs 0 {2,S} {7,S} -6 C 0 {1,S} {8,S} -7 * C 1 {5,S} {8,S} {9,S} -8 Cs 0 {6,S} {7,S} -9 H 0 {7,S} - -bicyclo[4.2.0]octane-C4-7 -1 Cs 0 {2,S} {3,S} {6,S} -2 C 0 {1,S} {4,S} {5,S} -3 * C 1 {1,S} {4,S} {9,S} -4 Cs 0 {2,S} {3,S} -5 C 0 {2,S} {7,S} -6 C 0 {1,S} {8,S} -7 C 0 {5,S} {8,S} -8 C 0 {6,S} {7,S} -9 H 0 {3,S} - -cyclopentene-vinyl -1 C 0 {2,S} {3,S} -2 C 0 {1,S} {5,S} -3 C 0 {1,S} {4,S} -4 * C 1 {3,S} {5,D} -5 C 0 {2,S} {4,D} - -cyclopentene-4 -1 * Cs 1 {2,S} {3,S} {6,S} -2 Cs 0 {1,S} {5,S} -3 Cs 0 {1,S} {4,S} -4 C 0 {3,S} {5,D} -5 C 0 {2,S} {4,D} -6 H 0 {1,S} - -1,3-cyclopentadiene-vinyl-1 -1 C 0 {2,S} {3,S} -2 * C 1 {1,S} {4,D} -3 C 0 {1,S} {5,D} -4 C 0 {2,D} {5,S} -5 C 0 {3,D} {4,S} - -1,3-cyclopentadiene-vinyl-2 -1 C 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} -3 C 0 {1,S} {5,D} -4 * C 1 {2,D} {5,S} -5 C 0 {3,D} {4,S} - -1,3-cyclopentadiene-allyl -1 * C 1 {2,S} {3,S} {6,S} -2 Cd 0 {1,S} {4,D} -3 Cd 0 {1,S} {5,D} -4 C 0 {2,D} {5,S} -5 C 0 {3,D} {4,S} -6 H 0 {1,S} - -Isobutyl -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} -6 C 0 {2,S} -7 H 0 {2,S} - -Neopentyl -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} -6 C 0 {2,S} -7 C 0 {2,S} - -CJCOOH -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,S} {6,S} -6 Os 0 {5,S} - -Benzyl_P -1 * C 1 {2,S} {3,S} {4,S} -2 Cb 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Allyl_P -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C=CC=CCJ -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} {6,S} -6 Cd 0 {5,S} - -CTCC=CCJ -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} {6,S} -6 Ct 0 {5,S} - -C2JC=O -1 * C 1 {2,S} {3,S} {4,S} -2 CO 0 {1,S} {5,D} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,D} -6 C 0 {2,S} - -Propargyl -1 * C 1 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs_S -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 H 0 {1,S} - -(Cs)2CsJ -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CCJC -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 C 0 {1,S} {8,S} {9,S} {10,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 H 0 {3,S} -9 H 0 {3,S} -10 H 0 {3,S} - -RCCJC -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 C 0 {1,S} {8,S} {9,S} {10,S} -4 H 0 {1,S} -5 C 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 H 0 {3,S} -9 H 0 {3,S} -10 H 0 {3,S} - -RCCJCC -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 C 0 {1,S} {8,S} {9,S} {10,S} -4 H 0 {1,S} -5 C 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 C 0 {3,S} -9 H 0 {3,S} -10 H 0 {3,S} - -CCJCOOH -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} {5,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} - -Benzyl_S -1 * C 1 {2,S} {3,S} {4,S} -2 Cb 0 {1,S} -3 C 0 {1,S} -4 H 0 {1,S} - -Allyl_S -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CCJCHO -1 * C 1 {2,S} {3,S} {4,S} -2 CO 0 {1,S} {5,D} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,D} -6 H 0 {2,S} - -C=CCJC=C -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -Sec_Propargyl -1 * C 1 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cs_T -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} - -Tertalkyl -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C2CJCOOH -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} {5,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} - -Benzyl_T -1 * C 1 {2,S} {3,S} {4,S} -2 Cb 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} - -Allyl_T -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C2CJCO -1 * C 1 {2,S} {3,S} {4,S} -2 CO 0 {1,S} {5,D} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 O 0 {2,D} -6 R 0 {2,S} - -C2CJCHO -1 * C 1 {2,S} {3,S} {4,S} -2 CO 0 {1,S} {5,D} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 O 0 {2,D} -6 H 0 {2,S} - - -Tert_Propargyl -1 * C 1 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJO -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJOH -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} - -CsJOC -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} - -CsJOCs -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} - -CsJOCH3 -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} {6,S} {7,S} {8,S} -6 H 0 {5,S} -7 H 0 {5,S} -8 H 0 {5,S} - -CsJOCC -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} {6,S} {7,S} {8,S} -6 C 0 {5,S} -7 H 0 {5,S} -8 H 0 {5,S} - -CsJOCC2 -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} {6,S} {7,S} {8,S} -6 C 0 {5,S} -7 C 0 {5,S} -8 H 0 {5,S} - -CsJOCC3 -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} {6,S} {7,S} {8,S} -6 C 0 {5,S} -7 C 0 {5,S} -8 C 0 {5,S} - -CsJOCds -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,CO} 0 {2,S} - -CsJOC(O) -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} {6,D} -6 O 0 {5,D} - -CsJOC(O)H -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} {6,D} {7,S} -6 O 0 {5,D} -7 H 0 {5,S} - -CsJOC(O)C -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} {6,D} {7,S} -6 O 0 {5,D} -7 C 0 {5,S} - -CsJOO -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,S} - -CsJOOH -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,S} {6,S} -6 H 0 {5,S} - -CsJOOC -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,S} {6,S} -6 C 0 {5,S} - - -CCsJO -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} -3 C 0 {1,S} -4 H 0 {1,S} - -CCsJOH -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} - -CCsJOC -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} - -CCsJOCs -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} - -CCsJOCds -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 {CO,Cd} 0 {2,S} - -CCsJOC(O) -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} {6,D} -6 O 0 {5,D} - -CCsJOC(O)H -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} {6,D} {7,S} -6 O 0 {5,D} -7 H 0 {5,S} - -CCsJOC(O)C -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} {6,D} {7,S} -6 O 0 {5,D} -7 C 0 {5,S} - -CCsJOO -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,S} - -CCsJOOH -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,S} {6,S} -6 H 0 {5,S} - -CCsJOOC -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,S} {6,S} -6 C 0 {5,S} - -C2CsJO -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} - -C2CsJOH -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 H 0 {2,S} - -C2CsJOC -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {2,S} - -C2CsJOCs -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 Cs 0 {2,S} - -C2CsJOCds -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 {Cd,CO} 0 {2,S} - -C2CsJOC(O) -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {2,S} {6,D} -6 O 0 {5,D} - -C2CsJOC(O)H -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {2,S} {6,D} {7,S} -6 O 0 {5,D} -7 H 0 {5,S} - -C2CsJOC(O)C -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {2,S} {6,D} {7,S} -6 O 0 {5,D} -7 C 0 {5,S} - -C2CsJOO -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 O 0 {2,S} - -C2CsJOOH -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 O 0 {2,S} {6,S} -6 H 0 {5,S} - -C2CsJOOC -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 O 0 {2,S} {6,S} -6 C 0 {5,S} - -CCsJOS -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 O 0 {1,S} -4 S 0 {1,S} - -CCsJOHSH -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 O 0 {1,S} {5,S} -4 S 0 {1,S} {6,S} -5 H 0 {3,S} -6 H 0 {4,S} - -CdsJ -1 * {Cd,CO} 1 - -Cds_P -1 * C 1 {2,D} {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -Vin -1 * Cd 1 {2,D} {3,S} -2 Cd 0 {1,D} -3 H 0 {1,S} - -C=C=CJ -1 * C 1 {2,D} {3,S} -2 C 0 {1,D} {4,D} -3 H 0 {1,S} -4 C 0 {2,D} - -Cds_S -1 * C 1 {2,D} {3,S} -2 C 0 {1,D} -3 C 0 {1,S} - -Vins -1 * C 1 {2,D} {3,S} -2 C 0 {1,D} -3 C 0 {1,S} - - -C=CJC=C -1 * C 1 {2,D} {3,S} -2 Cd 0 {1,D} -3 {Cd,CO} 0 {1,S} - -CdsJO -1 * C 1 {2,D} -2 O 0 {1,D} - -HCdsJO -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 H 0 {1,S} - -CCJ=O -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 C 0 {1,S} - -CsCJ=O -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 Cs 0 {1,S} - -C=CCJ=O -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 Cd 0 {1,S} {4,D} -4 Cd 0 {3,D} - - -(O)CJO -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} - -(O)CJOH -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 H 0 {3,S} - -(O)CJOC -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 C 0 {3,S} - -(O)CJOCH3 -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 C 0 {3,S} {5,S} {6,S} {7,S} -5 H 0 {4,S} -6 H 0 {4,S} -7 H 0 {4,S} - -(O)CJOCC -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 C 0 {3,S} {5,S} {6,S} {7,S} -5 C 0 {4,S} -6 H 0 {4,S} -7 H 0 {4,S} - -(O)CJOCC2 -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 C 0 {3,S} {5,S} {6,S} {7,S} -5 C 0 {4,S} -6 C 0 {4,S} -7 H 0 {4,S} - -(O)CJOCC3 -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 C 0 {3,S} {5,S} {6,S} {7,S} -5 C 0 {4,S} -6 C 0 {4,S} -7 C 0 {4,S} - -CtJ -1 * C 1 {2,T} -2 C 0 {1,T} - -Acetyl -1 * C 1 {2,T} -2 C 0 {1,T} {3,S} -3 H 0 {2,S} - -CbJ -1 * C 1 {2,B} {3,B} -2 C 0 {1,B} -3 C 0 {1,B} - -OJ -1 * O 1 - -HOJ -1 * O 1 {2,S} -2 H 0 {1,S} - -COJ -1 * O 1 {2,S} -2 C 0 {1,S} - -CsOJ -1 * O 1 {2,S} -2 Cs 0 {1,S} - -H3COJ -1 * O 1 {2,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 H 0 {2,S} -4 H 0 {2,S} -5 H 0 {2,S} - -CdsOJ -1 * O 1 {2,S} -2 {Cd,CO} 0 {1,S} - -RC=COJ -1 * O 1 {2,S} -2 Cd 0 {1,S} - -OJC=O -1 * O 1 {2,S} -2 CO 0 {1,S} - - -OOJ -1 * O 1 {2,S} -2 O 0 {1,S} - -ROOJ -1 * O 1 {2,S} -2 O 0 {1,S} {3,S} -3 R!H 0 {2,S} - -C3COOJ -1 * O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {5,S} {6,S} -4 C 0 {3,S} -5 C 0 {3,S} -6 C 0 {3,S} - -C(=O)OOJ -1 * O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - - -HOOJ -1 * O 1 {2,S} -2 O 0 {1,S} {3,S} -3 H 0 {2,S} - -RJ2 -1 * R 2 - -CJ2 -1 * C 2 - -CsJ2 -1 * Cs 2 - -CH2 -1 * C 2 {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -CH2_t -1 * C 2t {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -CH2_s -1 * C 2s {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -CsJ2_P -1 * C 2 {2,S} {3,S} -2 C 0 {1,S} -3 H 0 {1,S} - -CsCsJ2 -1 * C 2 {2,S} {3,S} -2 Cs 0 {1,S} -3 H 0 {1,S} - -CCJ2 -1 * C 2 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -CCJ2_t -1 * C 2t {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -CCJ2_s -1 * C 2s {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -PhCH -1 * C 2 {2,S} {3,S} -2 Cb 0 {1,S} -3 H 0 {1,S} - -PhCH_t -1 * C 2t {2,S} {3,S} -2 Cb 0 {1,S} -3 H 0 {1,S} - -PhCH_s -1 * C 2s {2,S} {3,S} -2 Cb 0 {1,S} -3 H 0 {1,S} - -AllylJ2 -1 * C 2 {2,S} {3,S} -2 Cd 0 {1,S} -3 H 0 {1,S} - -AllylJ2_t -1 * C 2t {2,S} {3,S} -2 Cd 0 {1,S} -3 H 0 {1,S} - - -AllylJ2_s -1 * C 2s {2,S} {3,S} -2 Cd 0 {1,S} -3 H 0 {1,S} - -CsJ2_S -1 * C 2 {2,S} {3,S} -2 C 0 {1,S} -3 C 0 {1,S} - -CdJ2 -1 * {Cd,CO} 2 - -CCdJ2 -1 * C 2 {2,D} -2 C 0 {1,D} - -CCdJ2_t -1 * C 2t {2,D} -2 C 0 {1,D} - -CCdJ2_s -1 * C 2s {2,D} -2 C 0 {1,D} - -CO -1 * C 2 {2,D} -2 O 0 {1,D} - -Oa -1 * O 2 - -Oa_t -1 * O 2t - -Oa_s -1 * O 2s - -RJ3 -1 * R 3 - -CJ3 -1 * C 3 - -SiJ -1 * Si 1 - -SiJ2 -1 * Si 2 - -SiJ3 -1 * Si 3 - -// Radicals C and S, Aaron Vandeputte, August 3rd 2009 - -CsJ-S -1 * C 1 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-SsHH -1 * C 1 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CSH -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CsSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CdSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} {5,D} -3 Ss 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CtSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CbSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Cb 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-C=SSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} {5,D} -3 Ss 0 {1,S} -4 H 0 {1,S} -5 Sd 0 {2,D} - -CsJ-CCS -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCdSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Ss 0 {1,S} -5 C 0 {3,D} - -CsJ-CsCtSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Ct 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCbSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cb 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsC=SSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cd 0 {1,S} {5,D} -4 Ss 0 {1,S} -5 Sd 0 {3,D} - -CsJ-SS -1 * C 1 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 R 0 {1,S} - -CsJ-SsSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CSS -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 S 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ss 0 {1,S} -4 Ss 0 {1,S} -5 C 0 {2,D} - -CsJ-CtSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CbSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cb 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-C=SSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ss 0 {1,S} -4 Ss 0 {1,S} -5 Sd 0 {2,D} - -CsJ-SsSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CdsJ-Ss -1 * Cd 1 {2,S}, {3,D} -2 Ss 0 {1,S} -3 C 0 {1,D} - -C=SJ -1 * Cd 1 {2,D} -2 Sd 0 {1,D} - -C=SJ-H -1 * Cd 1 {2,S} {3,D} -2 H 0 {1,S} -3 Sd 0 {1,D} - -C=SJ-C -1 * Cd 1 {2,S} {3,D} -2 C 0 {1,S} -3 Sd 0 {1,D} - -C=SJ-Cs -1 * Cd 1 {2,S} {3,D} -2 Cs 0 {1,S} -3 Sd 0 {1,D} - -C=SJ-Cd -1 * Cd 1 {2,S} {3,D} -2 Cd 0 {1,S} -3 Sd 0 {1,D} - -C=SJ-Ss -1 * Cd 1 {2,S} {3,D} -2 Ss 0 {1,S} -3 Sd 0 {1,D} - -Sa -1 * S 2 - -SJ -1 * Ss 1 - -SJ-H -1 * Ss 1 {2,S} -2 H 0 {1,S} - -SJ-C -1 * Ss 1 {2,S} -2 C 0 {1,S} - -SJ-Cs -1 * Ss 1 {2,S} -2 Cs 0 {1,S} - -SJ-Cd -1 * Ss 1 {2,S} -2 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -SJ-Ct -1 * Ss 1 {2,S} -2 Ct 0 {1,S} - -SJ-Cb -1 * Ss 1 {2,S} -2 Cb 0 {1,S} - -SJ-C=S -1 * Ss 1 {2,S} -2 Cd 0 {1,S} {3,D} -3 Sd 0 {2,D} - -SJ-CO -1 * Ss 1 {2,S} -2 C 0 {1,S} {3,D} -3 Od 0 {2,D} - -SJ-Ss -1 * Ss 1 {2,S} -2 Ss 0 {1,S} - -SJ-Ss-H -1 * Ss 1 {2,S} -2 Ss 0 {1,S} {3,S} -3 H 0 {2,S} - -SJ-Ss-Cs -1 * Ss 1 {2,S} -2 Ss 0 {1,S} {3,S} -3 C 0 {2,S} - -SJ-Ss-Ss -1 * Ss 1 {2,S} -2 Ss 0 {1,S} {3,S} -3 S 0 {2,S} - -CdJ2-Sd -1 * Cd 2 {2,D} -2 Sd 0 {1,D} - -CdJ2-Sd_s -1 * Cd 2s {2,D} -2 Sd 0 {1,D} - -CdJ2-Sd_t -1 * Cd 2t {2,D} -2 Sd 0 {1,D} - -SJ2 -1 * S 2 - -bicyclo[2.1.0]pent-2-ene-C1 -1 * C 1 {2,S} {3,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 Cs 0 {1,S} {2,S} -4 C 0 {2,S} {5,D} -5 Cd 0 {1,S} {4,D} - -bicyclo[2.1.0]pent-2-ene-C2 -1 C 0 {2,S} {3,S} {5,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {1,S} {2,S} -4 * C 1 {2,S} {5,D} -5 C 0 {1,S} {4,D} - -bicyclo[2.1.0]pent-2-ene-C5 -1 Cs 0 {2,S} {3,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} -3 * C 1 {1,S} {2,S} {6,S} -4 C 0 {2,S} {5,D} -5 C 0 {1,S} {4,D} -6 H 0 {3,S} - -bicyclo[2.1.1]hex-2-ene-C1 -1 * C 1 {3,S} {4,S} {6,S} -2 C 0 {3,S} {4,S} {5,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {1,S} {2,S} -5 C 0 {2,S} {6,D} -6 Cd 0 {1,S} {5,D} - -bicyclo[2.1.1]hex-2-ene-C2 -1 C 0 {3,S} {4,S} {6,S} -2 C 0 {3,S} {4,S} {5,S} -3 C 0 {1,S} {2,S} -4 C 0 {1,S} {2,S} -5 * C 1 {2,S} {6,D} -6 C 0 {1,S} {5,D} - -bicyclo[2.1.1]hex-2-ene-C5 -1 Cs 0 {3,S} {4,S} {6,S} -2 Cs 0 {3,S} {4,S} {5,S} -3 * C 1 {1,S} {2,S} {7,S} -4 C 0 {1,S} {2,S} -5 C 0 {2,S} {6,D} -6 C 0 {1,S} {5,D} -7 H 0 {3,S} - -tricyclo[2.1.1.0(1,4)]hex-2-ene-C2 -1 C 0 {2,S} {3,S} {4,S} {6,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 C 0 {1,S} {2,S} -4 C 0 {1,S} {2,S} -5 * C 1 {2,S} {6,D} -6 C 0 {1,S} {5,D} - -tricyclo[2.1.1.0(1,4)]hex-2-ene-C5 -1 Cs 0 {2,S} {3,S} {4,S} {6,S} -2 Cs 0 {1,S} {3,S} {4,S} {5,S} -3 * C 1 {1,S} {2,S} {7,S} -4 C 0 {1,S} {2,S} -5 C 0 {2,S} {6,D} -6 C 0 {1,S} {5,D} -7 H 0 {3,S} - -bicyclo[2.2.0]hexa-2,5-diene-C1 -1 * C 1 {2,S} {3,S} {6,S} -2 Cs 0 {1,S} {4,S} {5,S} -3 Cd 0 {1,S} {4,D} -4 C 0 {2,S} {3,D} -5 C 0 {2,S} {6,D} -6 Cd 0 {1,S} {5,D} - -bicyclo[2.2.0]hexa-2,5-diene-C2 -1 C 0 {2,S} {3,S} {6,S} -2 C 0 {1,S} {4,S} {5,S} -3 * C 1 {1,S} {4,D} -4 C 0 {2,S} {3,D} -5 C 0 {2,S} {6,D} -6 C 0 {1,S} {5,D} - -bicyclo[2.2.0]hexa-1(4),2,5-triene-C2 -1 C 0 {2,D} {3,S} {6,S} -2 C 0 {1,D} {4,S} {5,S} -3 * C 1 {1,S} {4,D} -4 C 0 {2,S} {3,D} -5 C 0 {2,S} {6,D} -6 C 0 {1,S} {5,D} - -cyclobutadiene-C1 -1 * C 1 {2,D} {4,S} -2 Cd 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 Cd 0 {1,S} {3,D} - -bicyclo[1.1.1]pentane-C1 -1 * C 1 {3,S} {4,S} {5,S} -2 C 0 {3,S} {4,S} {5,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {1,S} {2,S} -5 Cs 0 {1,S} {2,S} - -bicyclo[1.1.1]pentane-C2 -1 Cs 0 {3,S} {4,S} {5,S} -2 Cs 0 {3,S} {4,S} {5,S} -3 * C 1 {1,S} {2,S} {6,S} -4 C 0 {1,S} {2,S} -5 C 0 {1,S} {2,S} -6 H 0 {3,S} - -tricyclo[1.1.1.0(1,3)]pentane-C2 -1 Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {3,S} {4,S} {5,S} -3 * C 1 {1,S} {2,S} {6,S} -4 C 0 {1,S} {2,S} -5 C 0 {1,S} {2,S} -6 H 0 {3,S} - -bicyclo[2.1.1]hexane-C1 -1 * C 1 {3,S} {4,S} {6,S} -2 C 0 {3,S} {4,S} {5,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {1,S} {2,S} -5 C 0 {2,S} {6,S} -6 Cs 0 {1,S} {5,S} - -bicyclo[2.1.1]hexane-C2 -1 C 0 {3,S} {4,S} {6,S} -2 Cs 0 {3,S} {4,S} {5,S} -3 C 0 {1,S} {2,S} -4 C 0 {1,S} {2,S} -5 * C 1 {2,S} {6,S} {7,S} -6 Cs 0 {1,S} {5,S} -7 H 0 {5,S} - -bicyclo[2.1.1]hexane-C5 -1 Cs 0 {3,S} {4,S} {6,S} -2 Cs 0 {3,S} {4,S} {5,S} -3 * C 1 {1,S} {2,S} {7,S} -4 C 0 {1,S} {2,S} -5 C 0 {2,S} {6,S} -6 C 0 {1,S} {5,S} -7 H 0 {3,S} - -tricyclo[2.1.1.0(1,4)]hexane-C2 -1 C 0 {2,S} {3,S} {4,S} {6,S} -2 Cs 0 {1,S} {3,S} {4,S} {5,S} -3 C 0 {1,S} {2,S} -4 C 0 {1,S} {2,S} -5 * C 1 {2,S} {6,S} {7,S} -6 Cs 0 {1,S} {5,S} -7 H 0 {5,S} - -tricyclo[2.1.1.0(1,4)]hexane-C5 -1 Cs 0 {2,S} {3,S} {4,S} {6,S} -2 Cs 0 {1,S} {3,S} {4,S} {5,S} -3 * C 1 {1,S} {2,S} {7,S} -4 C 0 {1,S} {2,S} -5 C 0 {2,S} {6,S} -6 C 0 {1,S} {5,S} -7 H 0 {3,S} - -bicyclo[3.1.1]heptane-C1 -1 * C 1 {3,S} {4,S} {6,S} -2 C 0 {3,S} {4,S} {5,S} -3 Cs 0 {1,S} {2,S} -4 Cs 0 {1,S} {2,S} -5 C 0 {2,S} {7,S} -6 Cs 0 {1,S} {7,S} -7 C 0 {5,S} {6,S} - -bicyclo[3.1.1]heptane-C2 -1 C 0 {3,S} {4,S} {6,S} -2 Cs 0 {3,S} {4,S} {5,S} -3 C 0 {1,S} {2,S} -4 C 0 {1,S} {2,S} -5 * C 1 {2,S} {7,S} {8,S} -6 C 0 {1,S} {7,S} -7 Cs 0 {5,S} {6,S} -8 H 0 {5,S} - -bicyclo[3.1.1]heptane-C3 -1 C 0 {3,S} {4,S} {6,S} -2 C 0 {3,S} {4,S} {5,S} -3 C 0 {1,S} {2,S} -4 C 0 {1,S} {2,S} -5 Cs 0 {2,S} {7,S} -6 Cs 0 {1,S} {7,S} -7 * C 1 {5,S} {6,S} {8,S} -8 H 0 {7,S} - -bicyclo[3.1.1]heptane-C6 -1 Cs 0 {3,S} {4,S} {6,S} -2 Cs 0 {3,S} {4,S} {5,S} -3 * C 1 {1,S} {2,S} {8,S} -4 C 0 {1,S} {2,S} -5 C 0 {2,S} {7,S} -6 C 0 {1,S} {7,S} -7 C 0 {5,S} {6,S} -8 H 0 {3,S} - -tricyclo[3.1.1.0(1,5)]heptane-C2 -1 C 0 {2,S} {3,S} {4,S} {6,S} -2 Cs 0 {1,S} {3,S} {4,S} {5,S} -3 C 0 {1,S} {2,S} -4 C 0 {1,S} {2,S} -5 * C 1 {2,S} {7,S} {8,S} -6 C 0 {1,S} {7,S} -7 Cs 0 {5,S} {6,S} -8 H 0 {5,S} - -tricyclo[3.1.1.0(1,5)]heptane-C3 -1 C 0 {2,S} {3,S} {4,S} {6,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 C 0 {1,S} {2,S} -4 C 0 {1,S} {2,S} -5 Cs 0 {2,S} {7,S} -6 Cs 0 {1,S} {7,S} -7 * C 1 {5,S} {6,S} {8,S} -8 H 0 {7,S} - -tricyclo[3.1.1.0(1,5)]heptane-C6 -1 Cs 0 {2,S} {3,S} {4,S} {6,S} -2 Cs 0 {1,S} {3,S} {4,S} {5,S} -3 * C 1 {1,S} {2,S} {8,S} -4 C 0 {1,S} {2,S} -5 C 0 {2,S} {7,S} -6 C 0 {1,S} {7,S} -7 C 0 {5,S} {6,S} -8 H 0 {3,S} - -tricyclo[2.2.1.0(1,4)]heptane-C2 -1 C 0 {2,S} {3,S} {5,S} {7,S} -2 Cs 0 {1,S} {3,S} {4,S} {6,S} -3 C 0 {1,S} {2,S} -4 * C 1 {2,S} {5,S} {8,S} -5 Cs 0 {1,S} {4,S} -6 C 0 {2,S} {7,S} -7 C 0 {1,S} {6,S} -8 H 0 {4,S} - -tricyclo[2.2.1.0(1,4)]heptane-C7 -1 Cs 0 {2,S} {3,S} {5,S} {7,S} -2 Cs 0 {1,S} {3,S} {4,S} {6,S} -3 * C 1 {1,S} {2,S} {8,S} -4 C 0 {2,S} {5,S} -5 C 0 {1,S} {4,S} -6 C 0 {2,S} {7,S} -7 C 0 {1,S} {6,S} -8 H 0 {3,S} - -bicyclo[2.2.2]octane-C1 -1 * C 1 {3,S} {6,S} {8,S} -2 C 0 {4,S} {5,S} {7,S} -3 Cs 0 {1,S} {4,S} -4 C 0 {2,S} {3,S} -5 C 0 {2,S} {6,S} -6 Cs 0 {1,S} {5,S} -7 C 0 {2,S} {8,S} -8 Cs 0 {1,S} {7,S} - -bicyclo[2.2.2]octane-C2 -1 Cs 0 {3,S} {6,S} {8,S} -2 C 0 {4,S} {5,S} {7,S} -3 * C 1 {1,S} {4,S} {9,S} -4 Cs 0 {2,S} {3,S} -5 C 0 {2,S} {6,S} -6 C 0 {1,S} {5,S} -7 C 0 {2,S} {8,S} -8 C 0 {1,S} {7,S} -9 H 0 {3,S} - -tricyclo[2.2.2.0(1,4)]octane-C2 -1 C 0 {2,S} {4,S} {6,S} {8,S} -2 Cs 0 {1,S} {3,S} {5,S} {7,S} -3 * C 1 {2,S} {4,S} {9,S} -4 Cs 0 {1,S} {3,S} -5 C 0 {2,S} {6,S} -6 C 0 {1,S} {5,S} -7 C 0 {2,S} {8,S} -8 C 0 {1,S} {7,S} -9 H 0 {3,S} - -cyclopentane -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 C 0 {1,S} {8,S} {9,S} {10,S} -4 H 0 {1,S} -5 C 0 {2,S} {8,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 C 0 {3,S} {5,S} -9 H 0 {3,S} -10 H 0 {3,S} - -cyclohexane -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 C 0 {1,S} {8,S} {9,S} {10,S} -4 H 0 {1,S} -5 C 0 {2,S} {11,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 C 0 {3,S} {11,S} -9 H 0 {3,S} -10 H 0 {3,S} -11 C 0 {8,S} {5,S} diff --git a/output/RMG_database/thermo_groups/Radical_Library.txt b/output/RMG_database/thermo_groups/Radical_Library.txt deleted file mode 100644 index eef184c8ca..0000000000 --- a/output/RMG_database/thermo_groups/Radical_Library.txt +++ /dev/null @@ -1,276 +0,0 @@ -////////////////////////////////////////////////////////////////////////////////////////////////// -// Group Library -// -// Jan 09, 2004 by Joanna Yu -// Apr 09, 2004 Modified by Hsi-Wu Wong (#) -// -// References -// -- CHEN & BOZZELLI C.-J. Chen, J.W. Bozzelli, J. Phys. Chem. A, 1999, 103, 9731-9769 -// -- ERWIN et al. Erwin et al., J. Am. Chem. Soc. 1990, 112, 5750-5759 -// -- JANOSCHEK & ROSSI R. Janoschek, M.J. Rossi, Int. J. Chem. Kinet., 2002, 34, 550-560 -// -- KIM et al. G.-S. Kim, T.L. Nguyen, A.M. Mebel, S.H. Lin, M.T. Nguyen, J. Phys. Chem. A, 2003, 107, 1788-1796 -// -- LAY et al. T.H. Lay, J.W. Bozzelli, A.M. Dean, E.R. Ritter, J. Phys. Chem., 1995, 99, 14514-14527 -// -- NGUYEN et al. T.L. Nguyen, G.-S. Kim, A.M. Mebel, M.T. Nguyen, Chem. Phys. Lett., 2001, 349, 571-577 -// -- PUTSMA et al. J.C. Putsma, J.J. Nash, J.A. Paulino, R.R. Squires, J. Am. Chem. Soc. 1997, 119, 4686-4697 -// -- SCHALLEY et al. C.A. Schalley et al., Eur. J. Org. Chem. 1998, 987-1009 -// -- SUMATHI & GREEN R. Sumathi, W.H. Green Jr., Phys. Chem. Chem. Phys., 2003, 5, 3402-3417 -// -- TSANG W. Tsang, Heats of Formation of Organic Free Radicals by Kinetic Methods in -// Energetics of Organic Free Radicals, J.A.M. Simoes, A. Greenberg, J.F. Liebman, -// eds., Blackie Academic and Professional, London, 1996, 22-58 -// -- WIJAYA et al. C. D. Wijaya, C. D., R. Sumathi, W.H. Green Jr., J. Phys. Chem. A, 2003, 107, 4908-4920 -////////////////////////////////////////////////////////////////////////////////////////////////// - - -//# Group H S Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 Note -0 Radical RJ -1 RJ CJ -2 CJ CsJ -3 CsJ Cs_P -4 CH3 104.81 0.52 0.71 0.34 -0.33 -1.07 -2.43 -3.54 -5.43 0.1 0 0 Calculated in relation to methane from NIST values -5 Cs_P 101.1 2.61 -0.77 -1.36 -1.91 -2.40 -3.16 -3.74 -4.66 0 0 0 Generic primary radical. (CHEN & BOZZELLI) # -6 CsCsJ Cs_P -7 CCJ 101.1 2.61 -0.65 -1.21 -1.75 -2.24 -3.02 -3.63 -3.63 0.2 0 0 LAY et al. -8 RCCJ 101.1 2.61 -0.77 -1.36 -1.91 -2.4 -3.16 -3.74 -4.66 0.2 0 0 LAY et al. CHEN & BOZZELLI # -9 Isobutyl 101.1 2.91 -0.54 -1.26 -1.92 -2.46 -3.27 -3.84 -3.84 0 0 0 LAY et al. -10 Neopentyl 101.1 3.03 -0.59 -1.32 -2.05 -2.65 -3.5 -4.06 -4.87 0 0 0 LAY et al. CHEN & BOZZELLI # -11 CJCOOH 103.26 3.54 -0.25 -0.76 -1.34 -1.91 -2.87 -3.60 -4.69 0 0 0 WIJAYA et al. -12 Benzyl_P 88.5 -4.74 0.75 0.6 0.13 -0.42 -1.41 -2.18 -2.18 0.1 0 0 LAY et al. -13 Allyl_P 88.2 -2.56 -0.62 -0.56 -0.78 -1.12 -1.84 -2.46 -3.49 0 0 0 LAY et al. CHEN & BOZZELLI # -14 C=CC=CCJ 80 -1.55 -1.83 -1.86 -1.98 -1.99 -2.3 -2.5 -2.5 0 0 0 LAY et al. - -15 CTCC=CCJ 81 -3.55 -1.09 -1.62 -2.01 -2.63 -3.07 -3.48 -3.48 0 0 0 LAY et al. -16 C2JC=O 94.4 -1.16 0.32 0.19 -0.15 -0.57 -1.43 -2.22 -3.67 0 0 0 CHEN & BOZZELLI -17 Propargyl 89.4 -0.51 -0.84 -1.17 -1.56 -1.95 -2.7 -3.31 -5.31 0 0 0 LAY et al. CHEN & BOZZELLI # -18 Cs_S 98.45 4.44 -1.50 -2.33 -3.10 -3.39 -3.75 -4.45 -5.20 0 0 0 Generic secondary radical. (CHEN & BOZZELLI) # -19 (Cs)2CsJ Cs_S -20 CCJC 98.45 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 LAY et al. CHEN & BOZZELLI # -21 RCCJC 98.45 5.13 -1.54 -2.77 -3.49 -3.9 -4.35 -4.64 -4.64 0 0 0 LAY et al. -22 RCCJCC 98.45 4.9 -1.71 -3.14 -3.92 -4.33 -4.71 -4.92 -4.92 0 0 0 LAY et al. -23 CCJCOOH 99.98 4.79 -0.65 -1.40 -2.00 -2.50 -3.27 -3.84 -4.73 0 0 0 WIJAYA et al. -24 Benzyl_S 85.9 -5.04 0.87 0.09 -0.63 -1.21 -2.07 -2.69 -2.69 0 0 0 LAY et al. -25 Allyl_S 85.6 -3.81 -1.54 -1.82 -2.08 -2.32 -2.75 -3.14 -3.85 0 0 0 LAY et al. CHEN & BOZZELLI # -27 C=CCJC=C 76 -4.05 -2.13 -1.96 -1.88 -1.89 -2.2 -2.6 -2.6 0 0 0 LAY et al. -28 Sec_Propargyl 87 -0.45 -0.59 -1.2 -1.75 -2.19 -2.91 -3.49 -3.49 0 0 0 LAY et al. -29 Cs_T Tertalkyl -30 Tertalkyl 96.5 5.24 -0.78 -2.48 -3.55 -4.15 -4.75 -5.02 -5.39 0 0 0 LAY et al. CHEN & BOZZELLI # -31 C2CJCOOH 97.20 7.31 -3.54 -4.16 -4.44 -4.58 -4.74 -4.88 -5.23 0 0 0 WIJAYA et al. -32 Benzyl_T 83.8 -5.34 0.27 -0.78 -1.54 -2.06 -2.74 -3.19 -3.19 0 0 0 LAY et al. -33 Allyl_T 83.4 -3.69 -1.79 -2.38 -2.74 -2.97 -3.28 -3.55 -3.55 0 0 0 LAY et al. -501 C2CJCO C2CJCHO -34 C2CJCHO 89.8 -1.71 0.62 -0.2 -1.23 -1.82 -2.87 -3.47 -3.47 0 0 0 CHEN & BOZZELLI #. Value for Cp1500 taken as equal to Cp1000 -35 Tert_Propargyl 84.5 1.48 -0.04 -1.01 -1.74 -2.41 -3.19 -3.65 -3.65 0 0 0 LAY et al. -36 CsJO CsJOH -37 CsJOH 96.51 0.09 0.25 0.18 -0.26 -0.83 -1.95 -2.85 -4.22 0 0 0 SUMATHI & GREEN -38 CsJOC CsJOCs -39 CsJOCs CsJOCH3 -40 CsJOCH3 97 0.78 -0.16 -0.4 -0.82 -1.33 -2.32 -3.13 -4.37 0 0 0 SUMATHI & GREEN # -41 CsJOCC 96.83 1.41 -1.01 -1.22 -1.4 -1.71 -3.5 -3.24 -4.42 0 0 0 Calculated from data in SUMATHI & GREEN. Values might have large error bars. -42 CsJOCC2 96.16 -0.59 0.95 0.75 0.23 -0.43 -1.71 -2.72 -4.19 0 0 0 SUMATHI & GREEN -43 CsJOCC3 95.75 0.27 0.08 -0.09 -0.52 -1.06 -2.11 -2.96 -4.27 0 0 0 SUMATHI & GREEN -44 CsJOCds CsJOC(O) -45 CsJOC(O) 100.7 -0.18 0.91 0.89 0.42 -0.21 -1.5 -2.62 -4.43 0 0 0 SUMATHI & GREEN -46 CsJOC(O)H 100.88 -0.18 0.95 0.97 0.53 -0.12 -1.54 -2.76 -4.53 0 0 0 SUMATHI & GREEN -47 CsJOC(O)C 100.48 -0.17 0.88 0.81 0.31 -0.3 -1.45 -2.47 -4.33 0 0 0 SUMATHI & GREEN -48 CsJOO 98.5 -1.57 -0.18 -0.42 -0.79 -1.2 -1.99 -2.63 -3.65 0 0 0 SUMATHI & GREEN -49 CsJOOH 98.91 -1.52 -0.06 -0.35 -0.76 -1.19 -1.99 -2.64 -3.68 0 0 0 SUMATHI & GREEN -50 CsJOOC 98.34 -1.62 -0.31 -0.48 -0.82 -1.22 -1.99 -2.62 -3.63 0 0 0 SUMATHI & GREEN -51 CCsJO CCsJOC -52 CCsJOH 95.39 0.92 0.65 -0.01 -0.75 -1.43 -2.52 -3.31 -4.47 0 0 0 SUMATHI & GREEN -53 CCsJOC CCsJOCs -54 CCsJOCs 95.41 0.33 0.82 0.53 -0.11 -0.86 -2.2 -3.18 -4.51 0 0 0 SUMATHI & GREEN -55 CCsJOCds CCsJOC(O) -56 CCsJOC(O) 98.7 0.98 1.16 0.78 0.05 -0.73 -2.13 -3.24 -4.9 0 0 0 SUMATHI & GREEN -57 CCsJOC(O)H 98.87 0.98 1.2 0.88 0.16 -0.67 -2.22 -3.43 -5 0 0 0 SUMATHI & GREEN -58 CCsJOO 96.9 0.76 -0.48 -1.15 -1.68 -2.11 -2.77 -3.26 -4.02 0 0 0 SUMATHI & GREEN -59 CCsJOOH 97.19 0.77 -0.39 -1.08 -1.64 -2.08 -2.75 -3.26 -4.03 0 0 0 SUMATHI & GREEN -60 CCsJOOC 96.64 0.74 -0.58 -1.21 -1.73 -2.15 -2.8 -3.27 -4.01 0 0 0 SUMATHI & GREEN -61 C2CsJO C2CsJOC -62 C2CsJOH 94.5 2.17 0.31 -0.66 -1.54 -2.23 -3.17 -3.8 -4.72 0 0 0 SUMATHI & GREEN -63 C2CsJOC C2CsJOCs -64 C2CsJOCs 95.5 3.71 0.09 -1.37 -2.49 -3.26 -4.15 -4.63 -5.23 0 0 0 SUMATHI & GREEN -65 C2CsJOCds C2CsJOC(O) -66 C2CsJOC(O) 100.1 4.77 -0.04 -1.34 -2.3 -2.99 -3.99 -4.77 -5.98 0 0 0 SUMATHI & GREEN -67 C2CsJOC(O)H 99.97 4.88 -0.03 -1.28 -2.28 -3.1 -4.35 -5.19 -6.06 0 0 0 SUMATHI & GREEN -68 C2CsJOC(O)C 100.25 4.66 -0.04 -1.4 -2.32 -2.89 -3.62 -4.36 -5.9 0 0 0 SUMATHI & GREEN -69 C2CsJOO 96.7 2.22 -0.89 -2.09 -2.81 -3.24 -3.69 -3.97 -4.43 0 0 0 SUMATHI & GREEN -70 C2CsJOOH 96.74 2.37 -1.01 -2.17 -2.87 -3.3 -3.77 -4.05 -4.49 0 0 0 SUMATHI & GREEN -71 C2CsJOOC 96.58 2.08 -0.78 -2.02 -2.75 -3.18 -3.62 -3.88 -4.37 0 0 0 SUMATHI & GREEN -72 CdsJ Cds_P -//73 Cds_P Vin -74 Cds_P 111.2 1.39 -0.19 -0.75 -1.36 -1.92 -2.82 -3.49 -4.53 0 0 0 LAY et al. CHEN & BOZZELLI # -75 C=C=CJ 89 1.29 -0.45 -1.05 -1.64 -2.15 -2.98 -3.6 -3.6 0 0 0 LAY et al. -//76 Cds_S Vins -77 Cds_S 109 1.81 -0.34 -1.21 -1.94 -2.52 -3.34 -3.91 -4.76 0 0 0 LAY et al. CHEN & BOZZELLI # -78 C=CJC=C 99.8 0.71 0.19 -0.76 -1.51 -2.01 -2.7 -3.17 -3.17 0 0 0 LAY et al. -79 CdsJO CCJ=O -80 HCdsJO 88.45 -0.01 -0.19 -0.65 -1.19 -1.73 -2.63 -3.32 -4.42 0 0 0 Calculated in relation to formaldehyde from NIST values -81 CCJ=O CsCJ=O -82 CsCJ=O 89 1.12 -0.83 -1.43 -1.96 -2.42 -3.16 -3.73 -4.64 0 0 0 CHEN & BOZZELLI # -83 C=CCJ=O 83 -1.39 -0.19 -0.85 -1.59 -2.21 -3.21 -3.89 -4.61 0 0 0 CHEN & BOZZELLI # -84 (O)CJO (O)CJOC -85 (O)CJOH 100.75 0.78 0.02 -0.66 -1.4 -2.12 -3.41 -4.44 -5.79 0 0 0 SUMATHI & GREEN # -86 (O)CJOC 98.99 0.72 0.45 -0.27 -1.19 -2.1 -3.63 -4.69 -5.8 0 0 0 SUMATHI & GREEN (Hf assigned value of (O)CJOCH(CH3)2) -87 (O)CJOCH3 100.1 0.72 0.51 -0.11 -0.94 -1.8 -3.34 -4.48 -5.79 0 0 0 SUMATHI & GREEN -88 (O)CJOCC 99.49 0.55 0.45 -0.13 -0.98 -1.86 -3.43 -4.56 -5.79 0 0 0 SUMATHI & GREEN (values from (O)CJOCH2CH3) -89 (O)CJOCC2 98.99 0.82 0.74 -0.06 -1.04 -2.01 -3.6 -4.66 -5.77 0 0 0 SUMATHI & GREEN (values from (O)CJOCH(CH3)2) -90 (O)CJOCC3 97.98 0.76 0.11 -0.79 -1.8 -2.73 -4.17 -5.06 -5.87 0 0 0 SUMATHI & GREEN (values from (O)CJOC(CH3)3) -91 CtJ Acetyl -92 Acetyl 132.7 2.11 -0.51 -1.56 -2.27 -2.78 -3.47 -3.97 -3.97 0 0 0 LAY et al. -93 CbJ 113 1.48 -0.41 -1.18 -1.93 -2.69 -3.75 -4.48 -5.24 0 0 0 BDE from TSANG, S and Cp from THERM -94 OJ COJ -95 HOJ 119.22 -2.6 -0.87 -1.1 -1.36 -1.62 -2.11 -2.53 -3.38 0 0 0 Calculated from NIST values for H2O, OH and H -135 COJ CsOJ -96 CsOJ 104.06 -1.46 -0.98 -1.3 -1.61 -1.89 -2.38 -2.8 -3.59 0 0 0 CHEN & BOZZELLI(ROJ) -97 H3COJ 104.27 0.51 -1.11 -1.29 -1.62 -1.97 -2.59 -3.07 -3.84 0 0 0 Enthalpy HBI calculated from NIST values, entropy and Cp from B3LYP/6-31G* for CH3OH, CH3O and H -98 CdsOJ RC=COJ -99 RC=COJ 88 -1.11 -1.34 -1.99 -2.48 -2.79 -3.13 -3.33 -3.79 0 0 0 CHEN & BOZZELLI -100 OJC=O 104 0.79 -1.31 -1.87 -2.32 -2.69 -3.28 -3.74 -4.56 0 0 0 CHEN & BOZZELLI -101 OOJ ROOJ -102 ROOJ 88.2 0.22 -2.05 -2.84 -3.55 -4.09 -4.72 -4.97 -5.08 0 0 0 CHEN & BOZZELLI -103 C3COOJ 85.3 0.22 -2.05 -2.84 -3.55 -4.09 -4.72 -4.97 -5.08 0 0 0 CHEN & BOZZELLI -104 C(=O)OOJ 98.33 0.22 -2.05 -2.84 -3.55 -4.09 -4.72 -4.97 -5.08 0 0 0 HBI for enthalpy from CHEN & BOZZELLI. Cp and S values taken from ROOJ -105 HOOJ 85.13 -0.92 -1.99 -2.68 -3.07 -3.3 -3.55 -3.66 -3.9 0 0 0 Calculated from NIST values for H2O2, O2H and H -106 RJ2 CJ2 -107 CJ2 CsJ2 -108 CsJ2 CH2 -109 CH2 CH2_t -110 CH2_t 214.44 -1.73 -0.27 -1.08 -2.14 -3.23 -5.18 -6.74 -9.47 0 0 0 Calculated for methylene in relation to methane from NIST values -111 CH2_s 223.7 -1.73 -0.27 -1.08 -2.14 -3.23 -5.18 -6.74 -9.47 0 0 0 BDE JANOSCHEK & ROSSI. S and Cp from CH2_t. -112 CsJ2_P CsCsJ2 -113 CsCsJ2 CCJ2 -114 CCJ2 CCJ2_t -115 CCJ2_t 211.3 0 -0.81 -1.74 -2.69 -3.61 -5.18 -6.42 -8.36 0 0 0 BDE and Cp calculated from data in KIM et al. -116 CCJ2_s CCJ2_t -117 PhCH PhCH_t -118 PhCH_t 195 0 0 0 0 0 0 0 0 0 0 0 BDE from PUTSMA et al. -119 PhCH_s 205.8 0 0 0 0 0 0 0 0 0 0 0 BDE from NGUYEN et al. -120 AllylJ2 AllylJ2_t -121 AllylJ2_t 192.8 0 0 0 0 0 0 0 0 0 0 0 BDE from PUTSMA et al. -122 AllylJ2_s AllylJ2_t -123 CsJ2_S CsJ2_P -124 CdJ2 CCdJ2 -125 CCdJ2 CCdJ2_s -126 CCdJ2_t CCdJ2_s -127 CCdJ2_s 190.7 0 0 0 0 0 0 0 0 0 0 0 BDE from ERWIN et al. -128 CO 103.73 -6.47 -1.5 -2.38 -3.32 -4.24 -5.75 -6.88 -8.59 0 0 0 Value for carbon monoxide calculated in relation to formaldehyde from NIST values -129 Oa Oa_t -130 Oa_t 221.55 -8.02 -2.8 -3.05 -3.33 -3.62 -4.24 -4.86 -6.28 0 0 0 Calculated for atomic oxygen in relation to water from NIST values -131 Oa_s 266.9 -8.02 -2.8 -3.05 -3.33 -3.62 -4.24 -4.86 -6.28 0 0 0 BDE from SCHALLEY et al. S and Cp values taken from Oa_t -132 RJ3 CJ3 -133 CJ3 316.19 -5.7 -1.57 -2.73 -4.11 -5.5 -7.92 -9.85 -12.95 0 0 0 Calculated for methylidyene in relation to methane from NIST values -134 SiJ CJ -135 SiJ2 CJ2 -136 SiJ3 CJ3 -137 SJ OJ -138 Sa Oa -139 bridgehead_norbornyl 107.42 5.24 -0.78 -2.48 -3.55 -4.15 -4.75 -5.02 -5.39 0 0 0 P.M. Nunes, S.G. Estacio, G.T. Lopes, B.J. Costa Cabral, R.M. Borges dos Santos, J.A. Martinho Simoes, CH Bond Dissociation Enthalpies in Norbornane. An Experimental and Computational Study, Organic Letters, 10 (2008) 1613-1616. S, Cp copied from TertAlkyl entry -140 7-norbornyl 98.8 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 P.M. Nunes, S.G. Estacio, G.T. Lopes, B.J. Costa Cabral, R.M. Borges dos Santos, J.A. Martinho Simoes, CH Bond Dissociation Enthalpies in Norbornane. An Experimental and Computational Study, Organic Letters, 10 (2008) 1613-1616. S, Cp copied from CCJC entry -141 2-norbornyl 105.02 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 P.M. Nunes, S.G. Estacio, G.T. Lopes, B.J. Costa Cabral, R.M. Borges dos Santos, J.A. Martinho Simoes, CH Bond Dissociation Enthalpies in Norbornane. An Experimental and Computational Study, Organic Letters, 10 (2008) 1613-1616. S, Cp copied from CCJC entry -142 cyclopropane 106 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 D.F. McMillen, D.M. Golden, HYDROCARBON BOND-DISSOCIATION ENERGIES, Annual Review of Physical Chemistry, 33 (1982) 493-532.. S, Cp copied from CCJC entry -143 cyclobutane 96.9 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Tian, Z.; Fattahi, A.; Lis, L.; Kass, S. R., "Cycloalkane and Cycloalkene C-H Bond Dissociation Energies," J. Am. Chem. Soc. 2006, 128, 17087-17092, DOI: 10.1021/ja065348u. S, Cp copied from CCJC entry -144 cyclopropenyl-vinyl 106.7 1.81 -0.34 -1.21 -1.94 -2.52 -3.34 -3.91 -4.76 0 0 0 Fattahi, A.; McCarthy, R. E.; Ahmad, M. R.; Kass, S. R., "Why Does Cyclopropene Have the Acidity of an Acetylene but the Bond Energy of Methane?," J. Am. Chem. Soc. 2003, 125, 11746-11750, DOI: 10.1021/ja035725s. S, Cp copied from Cds_S -145 cyclopropenyl-allyl 90.6 -4.05 -2.13 -1.96 -1.88 -1.89 -2.2 -2.6 -2.6 0 0 0 DeFrees, D. J.; McIver, R. T., Jr.; Hehre, W. J., "Heats of Formation of Gaseous Free Radicals via Ion Cyclotron Double Resonance Spectroscopy," J. Am. Chem. Soc. 1980, 102, 3334-3338, DOI: 10.1021/ja00530a005 S, Cp copied from C=CCJC=C -146 cyclobutene-vinyl 112.5 1.81 -0.34 -1.21 -1.94 -2.52 -3.34 -3.91 -4.76 0 0 0 Tian, Z.; Fattahi, A.; Lis, L.; Kass, S. R., "Cycloalkane and Cycloalkene C-H Bond Dissociation Energies," J. Am. Chem. Soc. 2006, 128, 17087-17092, DOI: 10.1021/ja065348u S, Cp copied from Cds_S -147 cyclobutene-allyl 91.2 -3.81 -1.54 -1.82 -2.08 -2.32 -2.75 -3.14 -3.85 0 0 0 Tian, Z.; Fattahi, A.; Lis, L.; Kass, S. R., "Cycloalkane and Cycloalkene C-H Bond Dissociation Energies," J. Am. Chem. Soc. 2006, 128, 17087-17092, DOI: 10.1021/ja065348u S, Cp copied from Allyl_S -148 cyclopentene-allyl 82.3 -3.81 -1.54 -1.82 -2.08 -2.32 -2.75 -3.14 -3.85 0 0 0 Furuyama, S.; Golden, D. M.; Benson, S. W., "Kinetic Study of the Gas-Phase Reaction c-C5H8+I2 c-C5H6+2HI. Heat of Formation and the Stabilization Energy of the Cyclopentenyl Radical,"Int. J. Chem. Kinet. 1970, 2, 93-99. S, Cp copied from Allyl_S -149 cyclohexene-allyl 85 -3.81 -1.54 -1.82 -2.08 -2.32 -2.75 -3.14 -3.85 0 0 0 Alfassi, Z. B.; Feldman, L., "The Kinetics of Radiation-Induced Hydrogen Abstraction by Trichloromethyl Radicals in the Liquid Phase: Cyclohexene," Int. J. Chem. Kinet. 1981, 13, 771-783. S, Cp copied from Allyl_S -150 cycloheptane 92.5 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -151 spiro[2.2]pentane-secondary 107.3 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -152 bicyclo[1.1.0]butane-secondary 101.1 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -153 bicyclo[2.1.0]pentane-secondary-C4 99.7 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -154 bicyclo[2.1.0]pentane-secondary-C3 105.9 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -155 bicyclo[3.1.0]hexane-C5-2 93.6 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -156 bicyclo[3.1.0]hexane-C5-3 94.1 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -157 bicyclo[3.1.0]hexane-C3 108.3 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -158 bicyclo[2.2.0]hexane-secondary 98.6 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -159 bicyclo[3.2.0]heptane-C5-2 97.9 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -160 bicyclo[3.2.0]heptane-C5-3 99.5 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -161 bicyclo[3.2.0]heptane-C5-6 99 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -162 bicyclo[1.1.0]butane-tertiary 113.8 5.24 -0.78 -2.48 -3.55 -4.15 -4.75 -5.02 -5.39 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from TertAlkyl entry -163 bicyclo[2.1.0]pentane-tertiary 110.2 5.24 -0.78 -2.48 -3.55 -4.15 -4.75 -5.02 -5.39 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from TertAlkyl entry -164 bicyclo[3.1.0]hexane-tertiary 108.6 5.24 -0.78 -2.48 -3.55 -4.15 -4.75 -5.02 -5.39 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from TertAlkyl entry -165 bicyclo[2.2.0]hexane-tertiary 104 5.24 -0.78 -2.48 -3.55 -4.15 -4.75 -5.02 -5.39 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from TertAlkyl entry -166 bicyclo[3.2.0]heptane-tertiary 102.6 5.24 -0.78 -2.48 -3.55 -4.15 -4.75 -5.02 -5.39 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from TertAlkyl entry -167 bicyclo[4.1.0]heptane-tertiary 105.4 5.24 -0.78 -2.48 -3.55 -4.15 -4.75 -5.02 -5.39 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from TertAlkyl entry -168 octahydro-pentalene-tertiary 95.7 5.24 -0.78 -2.48 -3.55 -4.15 -4.75 -5.02 -5.39 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from TertAlkyl entry -169 bicyclo[4.2.0]octane-tertiary 97 5.24 -0.78 -2.48 -3.55 -4.15 -4.75 -5.02 -5.39 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from TertAlkyl entry -170 bicyclo[4.1.0]heptane-C6-2 94.7 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -171 bicyclo[4.1.0]heptane-C6-3 97.6 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -172 bicyclo[4.1.0]heptane-C3-7 108.1 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -173 octahydro-pentalene-C5-2 97.8 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -174 octahydro-pentalene-C5-3 98.1 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -175 bicyclo[4.2.0]octane-C6-2 96.7 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -176 bicyclo[4.2.0]octane-C6-3 99 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -177 bicyclo[4.2.0]octane-C4-7 100.7 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -178 cyclopentene-vinyl 113.7 1.81 -0.34 -1.21 -1.94 -2.52 -3.34 -3.91 -4.76 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from Cds_S -179 cyclopentene-4 96.7 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from Allyl_S -180 1,3-cyclopentadiene-vinyl-1 116.9 1.81 -0.34 -1.21 -1.94 -2.52 -3.34 -3.91 -4.76 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from Cds_S -181 1,3-cyclopentadiene-vinyl-2 116.2 1.81 -0.34 -1.21 -1.94 -2.52 -3.34 -3.91 -4.76 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from Cds_S -182 1,3-cyclopentadiene-allyl 82.6 -3.81 -1.54 -1.82 -2.08 -2.32 -2.75 -3.14 -3.85 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from Cds_S -183 bicyclo[2.1.0]pent-2-ene-C1 112.1 5.24 -0.78 -2.48 -3.55 -4.15 -4.75 -5.02 -5.39 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from TertAlkyl entry -184 bicyclo[2.1.0]pent-2-ene-C2 109.8 1.81 -0.34 -1.21 -1.94 -2.52 -3.34 -3.91 -4.76 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from Cds_S -185 bicyclo[2.1.0]pent-2-ene-C5 106.9 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -186 bicyclo[2.1.1]hex-2-ene-C1 110.1 5.24 -0.78 -2.48 -3.55 -4.15 -4.75 -5.02 -5.39 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from TertAlkyl entry -187 bicyclo[2.1.1]hex-2-ene-C2 115.9 1.81 -0.34 -1.21 -1.94 -2.52 -3.34 -3.91 -4.76 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from Cds_S -188 bicyclo[2.1.1]hex-2-ene-C5 104.8 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -189 tricyclo[2.1.1.0(1,4)]hex-2-ene-C2 108.6 1.81 -0.34 -1.21 -1.94 -2.52 -3.34 -3.91 -4.76 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from Cds_S -190 tricyclo[2.1.1.0(1,4)]hex-2-ene-C5 105.2 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -191 bicyclo[2.2.0]hexa-2,5-diene-C1 102.8 5.24 -0.78 -2.48 -3.55 -4.15 -4.75 -5.02 -5.39 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from TertAlkyl entry -192 bicyclo[2.2.0]hexa-2,5-diene-C2 111.6 1.81 -0.34 -1.21 -1.94 -2.52 -3.34 -3.91 -4.76 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from Cds_S -193 bicyclo[2.2.0]hexa-1(4),2,5-triene-C2 102.9 1.81 -0.34 -1.21 -1.94 -2.52 -3.34 -3.91 -4.76 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from Cds_S -194 cyclobutadiene-C1 104.6 1.81 -0.34 -1.21 -1.94 -2.52 -3.34 -3.91 -4.76 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from Cds_S -195 bicyclo[1.1.1]pentane-C1 106.2 5.24 -0.78 -2.48 -3.55 -4.15 -4.75 -5.02 -5.39 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from TertAlkyl entry -196 bicyclo[1.1.1]pentane-C2 106.5 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -197 tricyclo[1.1.1.0(1,3)]pentane-C2 111.5 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -198 bicyclo[2.1.1]hexane-C1 108.9 5.24 -0.78 -2.48 -3.55 -4.15 -4.75 -5.02 -5.39 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from TertAlkyl entry -199 bicyclo[2.1.1]hexane-C2 100.8 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -200 bicyclo[2.1.1]hexane-C5 105.4 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -201 tricyclo[2.1.1.0(1,4)]hexane-C2 100.1 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -202 tricyclo[2.1.1.0(1,4)]hexane-C5 103.4 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -203 bicyclo[3.1.1]heptane-C1 103.6 5.24 -0.78 -2.48 -3.55 -4.15 -4.75 -5.02 -5.39 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from TertAlkyl entry -204 bicyclo[3.1.1]heptane-C2 97.6 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -205 bicyclo[3.1.1]heptane-C3 97.3 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -206 bicyclo[3.1.1]heptane-C6 103 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -207 tricyclo[3.1.1.0(1,5)]heptane-C2 98.5 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -208 tricyclo[3.1.1.0(1,5)]heptane-C3 97.7 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -209 tricyclo[3.1.1.0(1,5)]heptane-C6 100 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -210 tricyclo[2.2.1.0(1,4)]heptane-C2 96.8 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -211 tricyclo[2.2.1.0(1,4)]heptane-C7 106.7 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -212 bicyclo[2.2.2]octane-C1 101.9 5.24 -0.78 -2.48 -3.55 -4.15 -4.75 -5.02 -5.39 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from TertAlkyl entry -213 bicyclo[2.2.2]octane-C2 97.8 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -214 tricyclo[2.2.2.0(1,4)]octane-C2 99.3 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from CCJC entry -215 cyclopentane 96.4 4.9 -1.71 -3.14 -3.92 -4.33 -4.71 -4.92 -4.92 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from RCCJCC entry -216 cyclohexane 95.5 4.9 -1.71 -3.14 -3.92 -4.33 -4.71 -4.92 -4.92 0 0 0 Homolytic C-H and N-H bond dissociation energies of strained organic compounds Feng et al. 2004S, Cp copied from RCCJCC entry - -235 SJ-H 91.82 -4.62 -1.20 -1.52 -1.84 -2.17 -2.73 -3.20 -3.95 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -236 SJ-Cs 86.98 -2.77 -2.94 -2.78 -2.72 -2.78 -3.07 -3.41 -4.04 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -237 SJ-Cd 79.29 -1.79 -2.29 -2.56 -2.72 -2.87 -3.19 -3.52 -4.13 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -238 SJ-Ct 77.56 -4.60 -1.18 -2.05 -2.66 -3.12 -3.76 -4.24 -4.99 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -239 SJ-Cb 81.36 -3.66 -1.92 -2.10 -2.30 -2.51 -2.93 -3.32 -3.96 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -240 SJ-C=S 80.07 -0.70 -2.93 -3.56 -3.88 -4.08 -4.41 -4.74 -5.25 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -241 SJ-Ss-H 73.97 -2.53 -1.93 -2.70 -3.26 -3.67 -4.24 -4.59 -5.00 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -242 SJ-Ss-Cs 71.05 -1.70 -2.95 -3.43 -3.78 -4.06 -4.47 -4.74 -5.03 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -243 SJ-Ss-Ss 72.74 0.60 -3.63 -4.32 -4.84 -5.26 -5.82 -6.07 -5.99 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -244 CsJ-SsHH 95.34 1.18 -0.07 -0.32 -0.73 -1.22 -2.18 -2.99 -4.27 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -245 CsJ-CsSsH 92.87 1.91 -0.25 -0.79 -1.36 -1.90 -2.82 -3.53 -4.64 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -246 CsJ-CdSsH 81.92 0.66 -3.21 -2.77 -2.39 -2.24 -2.39 -2.74 -3.56 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -247 CsJ-CtSsH 83.48 -0.16 0.26 -0.02 -0.47 -0.97 -1.95 -2.77 -4.12 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -248 CsJ-CbSsH 84.88 -0.98 -0.32 -0.38 -0.65 -1.01 -1.75 -2.40 -3.57 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -249 CsJ-C=SSsH 71.51 -3.81 -3.75 -2.93 -2.07 -1.54 -1.20 -1.31 -2.01 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -250 CsJ-SsSsH 90.16 1.31 -4.52 -4.00 -3.64 -3.53 -3.68 -4.00 -4.72 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -251 CsJ-CsCsSs 92.32 3.87 -0.72 -2.04 -2.88 -3.40 -3.99 -4.36 -4.96 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -252 CsJ-CsCdSs 80.07 2.53 -4.00 -4.74 -4.81 -4.59 -4.17 -3.99 -4.12 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -253 CsJ-CsCtSs 81.17 3.05 -0.99 -1.64 -2.18 -2.62 -3.30 -3.82 -4.65 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -254 CsJ-CsCbSs 84.10 0.96 -1.99 -2.26 -2.53 -2.75 -3.12 -3.49 -4.43 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -255 CsJ-CsC=SSs 69.17 -1.97 -3.86 -3.83 -3.41 -2.93 -2.28 -2.07 -2.36 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -256 CsJ-CsSsSs 89.98 5.50 -3.36 -4.00 -4.17 -4.24 -4.37 -4.55 -5.00 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -257 CdsJ-Ss 104.73 0.37 0.16 -0.48 -1.16 -1.76 -2.68 -3.35 -4.45 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -258 C=SJ-H 92.39 -0.14 -0.31 -0.88 -1.47 -1.99 -2.85 -3.49 -4.52 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -259 C=SJ-Cs 91.94 0.65 -1.20 -1.80 -2.25 -2.63 -3.24 -3.74 -4.64 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2010 -260 C=SJ-Cd 77.87 0.48 -1.21 -1.76 -2.24 -2.65 -3.30 -3.81 -4.67 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -261 CdJ2-Sd_s 143.53 -6.23 -1.97 -2.97 -3.85 -4.60 -5.82 -6.79 -8.44 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -262 CdJ2-Sd_t 238.75 -3.31 -1.42 -2.30 -3.22 -4.04 -5.42 -6.50 -8.29 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -263 SJ2 176.42 -12.02 -3.19 -3.52 -3.89 -4.30 -5.12 -5.86 -7.14 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -264 CCsJOS CCsJOHSH -265 CCsJOHSH 92.10 1.95 -1.38 -1.32 -1.19 -1.14 -1.39 -1.94 -3.40 0 0 0 CAC CBS-QB3 1d-hr -266 SJ-CO 89.86 -0.30 -2.33 -2.82 -3.2 -3.55 -4.16 -4.61 -5.12 0 0 0 CBS-QB3 CAC diff --git a/output/RMG_database/thermo_groups/Radical_Tree.txt b/output/RMG_database/thermo_groups/Radical_Tree.txt deleted file mode 100644 index d509a055fc..0000000000 --- a/output/RMG_database/thermo_groups/Radical_Tree.txt +++ /dev/null @@ -1,321 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// Radical Tree -// -// Joanna Yu -// Jan 09, 2004 -// -// March 21, 2003: Added bi- and tri-radicals -// August 12, 2003: Differentiated between singlet or triplet -// August 27, 2003: Added values for oxygenated groups (Sumathi & -// Green and Chen & Bozzelli) -///////////////////////////////////////////////////////////////////// - - -////////////////////////////////////////////////////////////////// -//Thermo Nomenclature -// -//C Carbon atom, bonds are still not defined -//Ct Carbon atom with one triple bond and one single bond -//Cs Carbon atom with four single bonds -//Cd Carbon atom with one double bond and the rest not defined -//Cdd Carbon atom with two double bonds -//Cds Carbon atom with one double bond and two single bonds -//Cb Carbon atom belonging to a benzene ring -//Cbf Carbon atom belonging to a fused benzene ring -//H Hydrogen atom -//Os Oxygen atom with two single bonds -//Od Oxygen atom with one double bond -////////////////////////////////////////////////////////////////// - -L0: Radical - -L1: RJ - L2: CJ // any carbon radical - L3: CsJ // originally sp3 central carbon - L4: CH3 // methyl readical - L4: Cs_P // primary radical - L5: CsCsJ - L6: CCJ - L6: RCCJ - L6: Isobutyl - L6: Neopentyl - L6: CJCOOH - L5: Benzyl_P - L5: Allyl_P - L6: C=CC=CCJ - L6: CTCC=CCJ - L5: C2JC=O - L5: Propargyl - - L4: Cs_S // secondary radical - L5: (Cs)2CsJ - L6: CCJC - L6: RCCJC - L6: RCCJCC - L7: cyclopentane - L7: cyclohexane - L6: CCJCOOH - L6: 7-norbornyl - L6: 2-norbornyl - L6: cyclopropane - L6: cyclobutane - L6: cycloheptane - L6: spiro[2.2]pentane-secondary - L6: bicyclo[1.1.0]butane-secondary - L6: bicyclo[2.1.0]pentane-secondary-C4 - L6: bicyclo[2.1.0]pentane-secondary-C3 - L6: bicyclo[3.1.0]hexane-C5-2 - L6: bicyclo[3.1.0]hexane-C5-3 - L6: bicyclo[3.1.0]hexane-C3 - L6: bicyclo[2.2.0]hexane-secondary - L6: bicyclo[3.2.0]heptane-C5-2 - L6: bicyclo[3.2.0]heptane-C5-3 - L6: bicyclo[3.2.0]heptane-C5-6 - L6: bicyclo[4.1.0]heptane-C6-2 - L6: bicyclo[4.1.0]heptane-C6-3 - L6: bicyclo[4.1.0]heptane-C3-7 - L6: bicyclo[4.1.0]heptane-C6-2 - L6: bicyclo[4.1.0]heptane-C6-3 - L6: bicyclo[4.1.0]heptane-C3-7 - L6: octahydro-pentalene-C5-2 - L6: octahydro-pentalene-C5-3 - L6: bicyclo[4.2.0]octane-C6-2 - L6: bicyclo[4.2.0]octane-C6-3 - L6: bicyclo[4.2.0]octane-C4-7 - L6: cyclopentene-4 - L6: bicyclo[2.1.0]pent-2-ene-C5 - L6: bicyclo[2.1.1]hex-2-ene-C5 - L6: tricyclo[2.1.1.0(1,4)]hex-2-ene-C5 - L6: bicyclo[1.1.1]pentane-C2 - L6: tricyclo[1.1.1.0(1,3)]pentane-C2 - L6: bicyclo[2.1.1]hexane-C2 - L6: bicyclo[2.1.1]hexane-C5 - L6: tricyclo[2.1.1.0(1,4)]hexane-C2 - L6: tricyclo[2.1.1.0(1,4)]hexane-C5 - L6: bicyclo[3.1.1]heptane-C2 - L6: bicyclo[3.1.1]heptane-C3 - L6: bicyclo[3.1.1]heptane-C6 - L6: tricyclo[3.1.1.0(1,5)]heptane-C2 - L6: tricyclo[3.1.1.0(1,5)]heptane-C3 - L6: tricyclo[3.1.1.0(1,5)]heptane-C6 - L6: tricyclo[2.2.1.0(1,4)]heptane-C2 - L6: tricyclo[2.2.1.0(1,4)]heptane-C7 - L6: bicyclo[2.2.2]octane-C2 - L6: tricyclo[2.2.2.0(1,4)]octane-C2 - L5: Benzyl_S - L5: Allyl_S - L6: cyclobutene-allyl - L6: cyclopentene-allyl - L6: cyclohexene-allyl - - L5: CCJCHO - L5: C=CCJC=C - L6: cyclopropenyl-allyl - L6: 1,3-cyclopentadiene-allyl - L5: Sec_Propargyl - L4: Cs_T // tertiary radical - L5: Tertalkyl - L6: C2CJCOOH - L6: bridgehead_norbornyl - L6: bicyclo[1.1.0]butane-tertiary - L6: bicyclo[2.1.0]pentane-tertiary - L6: bicyclo[3.1.0]hexane-tertiary - L6: bicyclo[2.2.0]hexane-tertiary - L6: bicyclo[3.2.0]heptane-tertiary - L6: bicyclo[4.1.0]heptane-tertiary - L6: octahydro-pentalene-tertiary - L6: bicyclo[4.2.0]octane-tertiary - L6: bicyclo[1.1.1]pentane-C1 - L6: bicyclo[2.1.1]hexane-C1 - L6: bicyclo[3.1.1]heptane-C1 - L6: bicyclo[2.2.2]octane-C1 - - L5: Benzyl_T - L5: Allyl_T - L6: bicyclo[2.1.0]pent-2-ene-C1 - L6: bicyclo[2.1.1]hex-2-ene-C1 - L5: C2CJCO - L6: C2CJCHO - L5: Tert_Propargyl - L5: bicyclo[2.2.0]hexa-2,5-diene-C1 - L4: CsJO - L5: CsJOH - L5: CsJOC - L6: CsJOCs - L7: CsJOCH3 - L7: CsJOCC - L7: CsJOCC2 - L7: CsJOCC3 - L6: CsJOCds - L7: CsJOC(O) - L8: CsJOC(O)H - L8: CsJOC(O)C - L5: CsJOO - L6: CsJOOH - L6: CsJOOC - L4: CCsJO - L5: CCsJOH - L5: CCsJOC - L6: CCsJOCs - L6: CCsJOCds - L7: CCsJOC(O) - L8: CCsJOC(O)H - L8: CCsJOC(O)C - L5: CCsJOO - L6: CCsJOOH - L6: CCsJOOC - L4: C2CsJO - L5: C2CsJOH - L5: C2CsJOC - L6: C2CsJOCs - L6: C2CsJOCds - L7: C2CsJOC(O) - L8: C2CsJOC(O)H - L8: C2CsJOC(O)C - L5: C2CsJOO - L6: C2CsJOOH - L6: C2CsJOOC - L4: CCsJOS - L5: CCsJOHSH - L4: CsJ-S - L5: CsJ-SsHH - L5: CsJ-CSH - L6: CsJ-CsSsH - L6: CsJ-CdSsH - L6: CsJ-CtSsH - L6: CsJ-CbSsH - L6: CsJ-C=SSsH - L5: CsJ-CCS - L6: CsJ-CsCsSs - L6: CsJ-CsCdSs - L6: CsJ-CsCtSs - L6: CsJ-CsCbSs - L6: CsJ-CsC=SSs - - L4: CsJ-SS - L5: CsJ-SsSsH - L5: CsJ-CSS - L6: CsJ-CsSsSs - L6: CsJ-CdSsSs - L6: CsJ-CtSsSs - L6: CsJ-CbSsSs - L6: CsJ-C=SSsSs - - L4: CsJ-SsSsSs - - L3: CdsJ // sp2 central carbon - L4: Cds_P - //L5: Vin - L5: C=C=CJ - L4: Cds_S - //L5: Vins - L5: C=CJC=C - L6: bicyclo[2.2.0]hexa-1(4),2,5-triene-C2 - L6: 1,3-cyclopentadiene-vinyl-2 - L6: cyclobutadiene-C1 - L5: cyclobutene-vinyl - L5: cyclopropenyl-vinyl - L5: cyclopentene-vinyl - L5: 1,3-cyclopentadiene-vinyl-1 - - L5: bicyclo[2.1.0]pent-2-ene-C2 - L5: bicyclo[2.1.1]hex-2-ene-C2 - L5: tricyclo[2.1.1.0(1,4)]hex-2-ene-C2 - L5: bicyclo[2.2.0]hexa-2,5-diene-C2 - - L4: CdsJO - L5: HCdsJO - L5: CCJ=O - L6: CsCJ=O - L6: C=CCJ=O - L5: (O)CJO - L6: (O)CJOH - L6: (O)CJOC - L7: (O)CJOCH3 - L7: (O)CJOCC - L7: (O)CJOCC2 - L7: (O)CJOCC3 - - L4: CdsJ-Ss - - L4: C=SJ - L5: C=SJ-H - L5: C=SJ-C - L6: C=SJ-Cs - L6: C=SJ-Cd - L5: C=SJ-Ss - - L3: CtJ // sp central carbon - L4: Acetyl - L3: CbJ - - L2: OJ // any oxigen radical - L3: HOJ // H-O. - L3: COJ // C-O. - L4: CsOJ - L5: H3COJ - L4: CdsOJ - L5: RC=COJ - L5: OJC=O - L3: OOJ // O-O. - L4: ROOJ - L5: C3COOJ - L5: C(=O)OOJ - L4: HOOJ - - L2: SiJ - - L2: SJ // any sulfur radical - L3: SJ-H // H-S. - L3: SJ-C - L4: SJ-Cs - L4: SJ-Cd - L4: SJ-Ct - L4: SJ-Cb - L4: SJ-C=S - L4: SJ-CO - L3: SJ-Ss - L4: SJ-Ss-H - L4: SJ-Ss-Cs - L4: SJ-Ss-Ss - -L1: RJ2 // biradicals - L2: CJ2 - L3: CsJ2 - L4: CH2 - L5: CH2_t // triplet - L5: CH2_s // singlet - L4: CsJ2_P - L5: CsCsJ2 - L6: CCJ2 - L7: CCJ2_t - L7: CCJ2_s - L5: PhCH - L6: PhCH_t - L6: PhCH_s - L5: AllylJ2 - L6: AllylJ2_t - L6: AllylJ2_s - L4: CsJ2_S - L3: CdJ2 - L4: CCdJ2 - L5: CCdJ2_t - L5: CCdJ2_s - L4: CO // carbon monoxide - L4: CdJ2-Sd - L5: CdJ2-Sd_s - L5: CdJ2-Sd_t - L2: Oa - L3: Oa_t - L3: Oa_s - - L2: SiJ2 - L2: SJ2 // triplet state - -L1: RJ3 // triradicals - L2: CJ3 - L2: SiJ3 - - - - diff --git a/output/RMG_database/thermo_groups/Ring_Dictionary.txt b/output/RMG_database/thermo_groups/Ring_Dictionary.txt deleted file mode 100644 index 0c2fab52d9..0000000000 --- a/output/RMG_database/thermo_groups/Ring_Dictionary.txt +++ /dev/null @@ -1,1529 +0,0 @@ -///////////////////////////////////////////////////////////// -// -// Paul Yelvington, June 10, 2004 -// Changed R,C to Cs,Cd,etc. Made only one reactive center -// per ring correction. No multiple rings. -// Jing Song, Feb, 17, 2004 -// change the original Ring_Correction.txt into -// Ring_Dictionary.txt, Ring_Tree.txt, and Ring_Library.txt -// To be consistent with other thermo databases -// -///////////////////////////////////////////////////////////// - - -// Maleic anhydride is not included. - -//////////// Generic ring groups - -Ring -1 * R 0 - -ThreeMember -1 * R!H 0 {2,{S,D}} {3,{S,D}} -2 R!H 0 {1,{S,D}} {3,{S,D}} -3 R!H 0 {2,{S,D}} {1,{S,D}} - -FourMember -1 * R!H 0 {2,{S,D}} {4,{S,D}} -2 R!H 0 {1,{S,D}} {3,{S,D}} -3 R!H 0 {2,{S,D}} {4,{S,D}} -4 R!H 0 {3,{S,D}} {1,{S,D}} - -FiveMember -1 * R!H 0 {2,{S,D}} {5,{S,D}} -2 R!H 0 {1,{S,D}} {3,{S,D}} -3 R!H 0 {2,{S,D}} {4,{S,D}} -4 R!H 0 {3,{S,D}} {5,{S,D}} -5 R!H 0 {4,{S,D}} {1,{S,D}} - -SixMember -1 * R!H 0 {2,{S,D}} {6,{S,D}} -2 R!H 0 {1,{S,D}} {3,{S,D}} -3 R!H 0 {2,{S,D}} {4,{S,D}} -4 R!H 0 {3,{S,D}} {5,{S,D}} -5 R!H 0 {4,{S,D}} {6,{S,D}} -6 R!H 0 {5,{S,D}} {1,{S,D}} - -sixnosidedouble -1 * {Cs,Os} 0 {2,S} {6,S} -2 {Cs,Os} 0 {1,S} {3,S} -3 {Cs,Os} 0 {2,S} {4,S} -4 {Cs,Os} 0 {3,S} {5,S} -5 {Cs,Os} 0 {4,S} {6,S} -6 {Cs,Os} 0 {5,S} {1,S} - -Oxane -1 * Cs 0 {2,S} {6,S} -2 Os 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {1,S} - - -six-sidedoubles -1 {C,O} 0 {2,S} {6,S} -2 * {Cd,CO} 0 {1,S} {3,S} -3 {C,O} 0 {2,S} {4,S} -4 {C,O} 0 {3,S} {5,S} -5 {C,O} 0 {4,S} {6,S} -6 {C,O} 0 {5,S} {1,S} - - -six-onesidedouble -1 {Cs,Os} 0 {2,S} {6,S} -2 * {Cd,CO} 0 {1,S} {3,S} -3 {Cs,Os} 0 {2,S} {4,S} -4 {Cs,Os} 0 {3,S} {5,S} -5 {Cs,Os} 0 {4,S} {6,S} -6 {Cs,Os} 0 {5,S} {1,S} - - -sixmembd-allsingles-twosidedoubles-ortho -1 {Cs,Os} 0 {2,S} {6,S} -2 * {Cd,CO} 0 {1,S} {3,S} -3 {Cd,CO} 0 {2,S} {4,S} -4 {Cs,Os} 0 {3,S} {5,S} -5 {Cs,Os} 0 {4,S} {6,S} -6 {Cs,Os} 0 {5,S} {1,S} - -sixmembd-allsingles-twosidedoubles-meta -1 {Cs,Os} 0 {2,S} {6,S} -2 * {Cd,CO} 0 {1,S} {3,S} -3 {Cs,Os} 0 {2,S} {4,S} -4 {Cd,CO} 0 {3,S} {5,S} -5 {Cs,Os} 0 {4,S} {6,S} -6 {Cs,Os} 0 {5,S} {1,S} - -sixmembd-allsingles-twosidedoubles-para -1 {Cs,Os} 0 {2,S} {6,S} -2 * {Cd,CO} 0 {1,S} {3,S} -3 {Cs,Os} 0 {2,S} {4,S} -4 {Cs,Os} 0 {3,S} {5,S} -5 {Cd,CO} 0 {4,S} {6,S} -6 {Cs,Os} 0 {5,S} {1,S} - -six-inringonedouble -1 {Cs,Os} 0 {2,S} {6,S} -2 * Cd 0 {1,S} {3,D} -3 Cd 0 {2,D} {4,S} -4 {Cs,Os} 0 {3,S} {5,S} -5 {Cs,Os} 0 {4,S} {6,S} -6 {Cs,Os} 0 {5,S} {1,S} - - - - -24dihydro13dioxin -1 Cd 0 {6,S} {2,D} -2 * Cd 0 {3,S} {1,D} -3 Cs 0 {4,S} {2,S} -4 Os 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Os 0 {5,S} {1,S} - -23dihydro14dioxin -1 Cd 0 {6,S} {2,D} -2 * Cd 0 {3,S} {1,D} -3 Os 0 {4,S} {2,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Os 0 {5,S} {1,S} - - -six-inringtwodouble-13 -1 {Cs,Os} 0 {2,S} {6,S} -2 * Cd 0 {1,S} {3,D} -3 Cd 0 {2,D} {4,S} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {4,D} {6,S} -6 {Cs,Os} 0 {5,S} {1,S} - -six-inringtwodouble-14 -1 {Cs,Os} 0 {2,S} {6,S} -2 * Cd 0 {1,S} {3,D} -3 Cd 0 {2,D} {4,S} -4 {Cs,Os} 0 {3,S} {5,S} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {5,D} {1,S} - -six-inringtwodouble-12 -1 {Cs,Os} 0 {2,S} {6,S} -2 * Cd 0 {1,S} {3,D} -3 C 0 {2,D} {4,D} -4 Cd 0 {3,D} {5,S} -5 {Cs,Os} 0 {4,S} {6,S} -6 {Cs,Os} 0 {5,S} {1,S} - -six-inringthreedouble -1 Cd 0 {2,D} {6,S} -2 * Cdd 0 {1,D} {3,D} -3 Cd 0 {2,D} {4,S} -4 {Cs,Os} 0 {3,S} {5,S} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {5,D} {1,S} - -six-oneside-twoindoubles-25 -1 {Cs,Os} 0 {2,S} {6,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {2,D} {4,S} -4 * {Cd,CO} 0 {3,S} {5,S} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {5,D} {1,S} - -six-oneside-twoindoubles-24 -1 {Cs,Os} 0 {2,S} {6,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {2,D} {4,S} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {4,D} {6,S} -6 * {Cd,CO} 0 {5,S} {1,S} - -six-twoin13-twoout -1 {CO,Cd} 0 {2,S} {6,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {2,D} {4,S} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {4,D} {6,S} -6 * {Cd,CO} 0 {5,S} {1,S} - -six-twoin14-twoout -1 {Cd,CO} 0 {2,S} {6,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {2,D} {4,S} -4 * {Cd,CO} 0 {3,S} {5,S} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {5,D} {1,S} - -SevenMember -1 * R!H 0 {2,{S,D}} {7,{S,D}} -2 R!H 0 {1,{S,D}} {3,{S,D}} -3 R!H 0 {2,{S,D}} {4,{S,D}} -4 R!H 0 {3,{S,D}} {5,{S,D}} -5 R!H 0 {4,{S,D}} {6,{S,D}} -6 R!H 0 {5,{S,D}} {7,{S,D}} -7 R!H 0 {6,{S,D}} {1,{S,D}} - -EightMember -1 * R!H 0 {2,{S,D}} {8,{S,D}} -2 R!H 0 {1,{S,D}} {3,{S,D}} -3 R!H 0 {2,{S,D}} {4,{S,D}} -4 R!H 0 {3,{S,D}} {5,{S,D}} -5 R!H 0 {4,{S,D}} {6,{S,D}} -6 R!H 0 {5,{S,D}} {7,{S,D}} -7 R!H 0 {6,{S,D}} {8,{S,D}} -8 R!H 0 {7,{S,D}} {1,{S,D}} - -NineMember -1 * R!H 0 {2,{S,D}} {9,{S,D}} -2 R!H 0 {1,{S,D}} {3,{S,D}} -3 R!H 0 {2,{S,D}} {4,{S,D}} -4 R!H 0 {3,{S,D}} {5,{S,D}} -5 R!H 0 {4,{S,D}} {6,{S,D}} -6 R!H 0 {5,{S,D}} {7,{S,D}} -7 R!H 0 {6,{S,D}} {8,{S,D}} -8 R!H 0 {7,{S,D}} {9,{S,D}} -9 R!H 0 {8,{S,D}} {1,{S,D}} - -TenMember -1 * R!H 0 {2,{S,D}} {10,{S,D}} -2 R!H 0 {1,{S,D}} {3,{S,D}} -3 R!H 0 {2,{S,D}} {4,{S,D}} -4 R!H 0 {3,{S,D}} {5,{S,D}} -5 R!H 0 {4,{S,D}} {6,{S,D}} -6 R!H 0 {5,{S,D}} {7,{S,D}} -7 R!H 0 {6,{S,D}} {8,{S,D}} -8 R!H 0 {7,{S,D}} {9,{S,D}} -9 R!H 0 {8,{S,D}} {10,{S,D}} -10 R!H 0 {9,{S,D}} {1,{S,D}} - -//////////// Hydrocarbon rings - -// num. identical central atoms = three -Cyclopropane -1 * Cs 0 {2,S} {3,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {1,S} - -Cyclopropene -1 * Cs 0 {2,S} {3,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {1,S} {2,D} - -Cyclopropadiene -1 * Cd 0 {2,S} {3,D} -2 Cd 0 {1,S} {3,D} -3 Cdd 0 {1,D} {2,D} - -Cyclopropatriene -1 * Cdd 0 {2,D} {3,D} -2 Cdd 0 {1,D} {3,D} -3 Cdd 0 {1,D} {2,D} - -Methylene_cyclopropane -1 * Cd 0 {2,S} {3,S} {4,D} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {1,S} {2,S} -4 Cd 0 {1,D} - -// num. identical central atoms = four -Cyclobutane -1 * Cs 0 {2,S} {4,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {1,S} - -// num. identical central atoms = two -Cyclobutene -1 * Cs 0 {2,S} {4,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {3,S} {1,S} - -// num. identical central atoms = five -Cyclopentane -1 * Cs 0 {2,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} - -Bicyclopentane -1 * Cs 0 {2,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} {6,S} -6 Cs 0 {5,S} {7,S} {10,S} -7 Cs 0 {8,S} {6,S} -8 Cs 0 {9,S} {7,S} -9 Cs 0 {10,S} {8,S} -10 Cs 0 {6,S} {9,S} - -Bicyclopentene_1 -1 * Cs 0 {2,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} {6,S} -6 Cs 0 {5,S} {7,S} {10,S} -7 C 0 {8,D} {6,S} -8 C 0 {9,S} {7,D} -9 Cs 0 {10,S} {8,S} -10 Cs 0 {6,S} {9,S} - -Bicyclopentene_2 -1 * Cs 0 {2,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} {6,S} -6 Cs 0 {5,S} {7,S} {10,S} -7 Cs 0 {8,S} {6,S} -8 C 0 {9,D} {7,S} -9 C 0 {10,S} {8,D} -10 Cs 0 {6,S} {9,S} - -Bicyclopentene_3 -1 * Cs 0 {2,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} {6,S} -6 C 0 {5,S} {7,D} {10,S} -7 C 0 {8,S} {6,D} -8 Cs 0 {9,S} {7,S} -9 Cs 0 {10,S} {8,S} -10 Cs 0 {6,S} {9,S} - -Bicyclopentadiene_11 -1 * C 0 {2,S} {5,D} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 C 0 {4,S} {1,D} {6,S} -6 Cs 0 {5,S} {7,S} {10,S} -7 C 0 {8,D} {6,S} -8 C 0 {9,S} {7,D} -9 Cs 0 {10,S} {8,S} -10 Cs 0 {6,S} {9,S} - -Bicyclopentadiene_12 -1 * C 0 {2,S} {5,D} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 C 0 {4,S} {1,D} {6,S} -6 Cs 0 {5,S} {7,S} {10,S} -7 Cs 0 {8,S} {6,S} -8 C 0 {9,D} {7,S} -9 C 0 {10,S} {8,D} -10 Cs 0 {6,S} {9,S} - -Bicyclopentadiene_13 -1 * C 0 {2,S} {5,D} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 C 0 {4,S} {1,D} {6,S} -6 C 0 {5,S} {7,D} {10,S} -7 C 0 {8,S} {6,D} -8 Cs 0 {9,S} {7,S} -9 Cs 0 {10,S} {8,S} -10 Cs 0 {6,S} {9,S} - -Bicyclopentadiene_21 -1 * C 0 {2,D} {5,S} -2 C 0 {1,D} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} {6,S} -6 Cs 0 {5,S} {7,S} {10,S} -7 C 0 {8,D} {6,S} -8 C 0 {9,S} {7,D} -9 Cs 0 {10,S} {8,S} -10 Cs 0 {6,S} {9,S} - -Bicyclopentadiene_22 -1 * C 0 {2,D} {5,S} -2 C 0 {1,D} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} {6,S} -6 Cs 0 {5,S} {7,S} {10,S} -7 Cs 0 {8,S} {6,S} -8 C 0 {9,D} {7,S} -9 C 0 {10,S} {8,D} -10 Cs 0 {6,S} {9,S} - -Bicyclopentadiene_31 -1 * Cs 0 {2,S} {5,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} {6,S} -6 Cs 0 {5,S} {7,S} {10,S} -7 Cs 0 {8,S} {6,S} -8 C 0 {9,D} {7,S} -9 C 0 {10,S} {8,D} -10 Cs 0 {6,S} {9,S} - -Cyclopentene -1 Cs 0 {2,S} {5,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {3,S} {5,S} -5 * Cs 0 {4,S} {1,S} - -Cyclopentadiene -1 * Cs 0 {2,S} {5,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {1,S} {4,D} - -Cyclopentatriene -1 * Cd 0 {2,D} {5,S} -2 Cdd 0 {1,D} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {1,S} {4,D} - -// num. identical central atoms = six -Cyclohexane -1 * Cs 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {1,S} - -// num. identical central atoms = two -Cyclohexene -1 Cs 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 * Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {1,S} - -// num. identical central atoms = two -1,3-Cyclohexadiene -1 Cs 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 * Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {1,S} {5,D} - -// num. identical central atoms = two -1,4-Cyclohexadiene -1 Cs 0 {2,S} {6,S} -2 * Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {5,S} {3,S} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {1,S} {5,D} - -// num. identical central atoms = seven -Cycloheptane -1 * Cs 0 {2,S} {7,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {1,S} - -Cycloheptene -1 * Cs 0 {2,S} {7,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {6,S} {4,D} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {1,S} - -1,3-Cycloheptadiene -1 * Cs 0 {2,S} {7,S} -2 Cs 0 {1,S} {3,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {7,S} {5,D} -7 Cs 0 {6,S} {1,S} - -1,3,5-Cycloheptatriene -1 * Cs 0 {2,S} {7,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {6,S} {4,D} -6 Cd 0 {5,S} {7,D} -7 Cd 0 {1,S} {6,D} - -// num. identical central atoms = eight -Cyclooctane -1 * Cs 0 {2,S} {8,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {1,S} - -// num. identical central atoms = two -cis-Cyclooctene -1 * Cd 0 {8,S} {2,D} -2 Cd 0 {3,S} {1,D} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {1,S} - -// num. identical central atoms = two -//trans-Cyclooctene -//1 * Cd 0 {8,S} {2,Dtrans} -//2 Cd 0 {3,S} {1,Dtrans} -//3 Cs 0 {2,S} {4,S} -//4 Cs 0 {3,S} {5,S} -//5 Cs 0 {4,S} {6,S} -//6 Cs 0 {5,S} {7,S} -//7 Cs 0 {6,S} {8,S} -//8 Cs 0 {7,S} {1,S} - -// num. identical central atoms = two -1,3,5-Cyclooctatriene -1 * Cs 0 {2,S} {8,S} -2 Cs 0 {1,S} {3,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {7,S} {5,D} -7 Cd 0 {6,S} {8,D} -8 Cd 0 {1,S} {7,D} - -// num. identical central atoms = eight -Cyclooctatetraene -1 * Cd 0 {8,S} {2,D} -2 Cd 0 {3,S} {1,D} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {7,S} {5,D} -7 Cd 0 {6,S} {8,D} -8 Cd 0 {1,S} {7,D} - -// num. identical central atoms = nine -Cyclononane -1 * Cs 0 {2,S} {9,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {1,S} - -//cis-Cyclononene -//1 Cd 0 {9,S} {2,Dcis} -//2 Cd 0 {3,S} {1,Dcis} -//3 Cs 0 {2,S} {4,S} -//4 Cs 0 {3,S} {5,S} -//5 Cs 0 {4,S} {6,S} -//6 * Cs 0 {5,S} {7,S} -//7 Cs 0 {6,S} {8,S} -//8 Cs 0 {7,S} {9,S} -//9 Cs 0 {8,S} {1,S} - -//trans-Cyclononene -//1 Cd 0 {9,S} {2,Dtrans} -//2 Cd 0 {3,S} {1,Dtrans} -//3 Cs 0 {2,S} {4,S} -//4 Cs 0 {3,S} {5,S} -//5 Cs 0 {4,S} {6,S} -//6 * Cs 0 {5,S} {7,S} -//7 Cs 0 {6,S} {8,S} -//8 Cs 0 {7,S} {9,S} -//9 Cs 0 {8,S} {1,S} - -// num. identical central atoms = ten -Cyclodecane -1 * Cs 0 {2,S} {10,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {1,S} - -// num. identical central atoms = twelve -Cyclododecane -1 * Cs 0 {2,S} {12,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {11,S} -11 Cs 0 {10,S} {12,S} -12 Cs 0 {11,S} {1,S} - -//////////////Hydrocarbons with two rings - -//////////////Hydrocarbons with three rings - - -///////////////////////////////////////////////////////////////////////////////// -//////////////Oxygen-containing rings - - Ethylene_oxide -1 * O 0 {2,S} {3,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {1,S} - -Oxetane -1 * O 0 {2,S} {4,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {1,S} - -Tetrahydrofuran -1 * O 0 {2,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} - - -1,3-Dioxane -1 O 0 {2,S} {6,S} -2 * Cs 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {1,S} - -// num. identical central atoms = two -1,4-Dioxane -1 Cs 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 * O 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 O 0 {5,S} {1,S} - -// num. identical central atoms = three -1,3,5-Trioxane -1 Cs 0 {2,S} {6,S} -2 O 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 * O 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 O 0 {5,S} {1,S} - -2,3-Dihydrofuran -1 * O 0 {2,S} {5,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} - -1,3-Dioxolane -1 * Cs 0 {2,S} {5,S} -2 O 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 O 0 {4,S} {1,S} - -Furan -1 Cd 0 {5,S} {2,D} -2 Cd 0 {3,S} {1,D} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 * O 0 {4,S} {1,S} - -3,4-Dihydro-2H-pyran -1 O 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 * Cd 0 {4,S} {6,D} -6 Cd 0 {1,S} {5,D} - -Fulvene -1 * Cd 0 {2,S} {6,D} {5,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {2,D} {4,S} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {4,D} {1,S} -6 Cd 0 {1,D} - - -Dihydro-2,5-furandione -1 * O 0 {2,S} {5,S} -2 CO 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 CO 0 {4,S} {1,S} - -Pentanedioic_anhydride -1 * O 0 {2,S} {6,S} -2 CO 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 CO 0 {5,S} {1,S} - -2,5-Furandione -1 * O 0 {2,S} {5,S} -2 CO 0 {1,S} {3,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 CO 0 {4,S} {1,S} - -Beta-Propiolactone -1 * O 0 {2,S} {4,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 CO 0 {3,S} {1,S} - -4-Methylene-2-oxetanone -1 * O 0 {2,S} {4,S} -2 Cd 0 {1,S} {3,S} {5,D} -3 Cs 0 {2,S} {4,S} -4 CO 0 {3,S} {1,S} -5 Cd 0 {2,D} - -Cyclobutanone -1 * CO 0 {2,S} {4,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {1,S} - -Cyclopentanone -1 * CO 0 {2,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} - -Cyclohexanone -1 * CO 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {1,S} - -Cycloheptanone -1 * CO 0 {2,S} {7,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {1,S} - -Cyclooctanone -1 * CO 0 {2,S} {8,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {1,S} - -Cyclononanone -1 * CO 0 {2,S} {9,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {1,S} - -Cyclodecanone -1 * CO 0 {2,S} {10,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {1,S} - -Cycloundecanone -1 * CO 0 {2,S} {11,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {11,S} -11 Cs 0 {10,S} {1,S} - -Cyclododecanone -1 * CO 0 {2,S} {12,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {11,S} -11 Cs 0 {10,S} {12,S} -12 Cs 0 {11,S} {1,S} - -Cyclo(C15)anone -1 * CO 0 {2,S} {15,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {11,S} -11 Cs 0 {10,S} {12,S} -12 Cs 0 {11,S} {13,S} -13 Cs 0 {12,S} {14,S} -14 Cs 0 {13,S} {15,S} -15 Cs 0 {14,S} {1,S} - -Cyclo(C17)anone -1 * CO 0 {2,S} {17,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {11,S} -11 Cs 0 {10,S} {12,S} -12 Cs 0 {11,S} {13,S} -13 Cs 0 {12,S} {14,S} -14 Cs 0 {13,S} {15,S} -15 Cs 0 {14,S} {16,S} -16 Cs 0 {15,S} {17,S} -17 Cs 0 {16,S} {1,S} - -//////////////Oxygen-containing structures with two rings - - -//////////////Oxygen-containing structures with three rings - - - -dioxirane -1 * Os 0 {2,S} {3,S} -2 Os 0 {1,S} {3,S} -3 Cs 0 {2,S} {1,S} - - - - -cyclopropanone -1 * C 0 {3,S} {2,S} {4,D} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {1,S} -4 O 0 {1,D} - - - - -12Methylenecyclopropane -1 Cd 0 {2,S} {3,S} {4,D} -2 * Cd 0 {1,S} {3,S} {5,D} -3 Cs 0 {2,S} {1,S} -4 Cd 0 {1,D} -5 Cd 0 {2,D} - - - - -2(co)oxirane -1 CO 0 {2,S} {3,S} -2 * Os 0 {1,S} {3,S} -3 Cs 0 {2,S} {1,S} - - - - -cyclopropanedione -1 CO 0 {2,S} {3,S} -2 * CO 0 {1,S} {3,S} -3 Cs 0 {2,S} {1,S} - - - - -cyclopropenone -1 Cd 0 {2,S} {3,D} -2 * CO 0 {1,S} {3,S} -3 Cd 0 {2,S} {1,D} - - - - -methylenecyclopropene -1 Cd 0 {2,S} {3,D} -2 * Cd 0 {1,S} {3,S} {4,D} -3 Cd 0 {2,S} {1,D} -4 Cd 0 {2,D} - - - - -methylenecyclopropanone -1 CO 0 {2,S} {3,S} -2 * Cd 0 {1,S} {3,S} {4,D} -3 Cs 0 {2,S} {1,S} -4 Cd 0 {2,D} - - - - -methyleneoxirane -1 Os 0 {2,S} {3,S} -2 * Cd 0 {1,S} {3,S} {4,D} -3 Cs 0 {2,S} {1,S} -4 Cd 0 {2,D} - - -//************* - -12dioxetane -1 Cs 0 {2,S} {4,S} -2 * Cs 0 {1,S} {3,S} -3 Os 0 {2,S} {4,S} -4 Os 0 {3,S} {1,S} - - - - -dioxerene -1 Cd 0 {4,S} {2,D} -2 * Cd 0 {3,S} {1,D} -3 Os 0 {2,S} {4,S} -4 Os 0 {3,S} {1,S} - - - - -cyclobutadiene -1 Cd 0 {4,S} {2,D} -2 * Cd 0 {3,S} {1,D} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {1,S} {3,D} - - - - -methylenecyclobutane -1 Cs 0 {4,S} {2,S} -2 * Cd 0 {3,S} {1,S} {5,D} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {1,S} {3,S} -5 Cd 0 {2,D} - - - -12methylenecyclobutane -1 * Cd 0 {2,S} {4,S} {5,D} -2 Cd 0 {1,S} {3,S} {6,D} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {1,S} -5 Cd 0 {1,D} -6 Cd 0 {2,D} - - - - -2methyleneoxetane -1 Os 0 {4,S} {2,S} -2 * Cd 0 {3,S} {1,S} {5,D} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {1,S} {3,S} -5 Cd 0 {2,D} - - - -//************************** - -14methylenecyclohexane -1 Cs 0 {2,S} {6,S} -2 * Cd 0 {1,S} {3,S} {7,D} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cd 0 {4,S} {6,S} {8,D} -6 Cs 0 {5,S} {1,S} -7 Cd 0 {2,D} -8 Cd 0 {5,D} - - - - -36dihydro2hpyran -1 * Cd 0 {2,S} {6,D} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Os 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cd 0 {5,S} {1,D} - - - - - -12dioxane -1 Cs 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 * Cs 0 {3,S} {5,S} -5 Os 0 {4,S} {6,S} -6 Os 0 {5,S} {1,S} - - - -34dihydro12dioxin -1 O 0 {2,S} {6,S} -2 O 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 * Cd 0 {4,S} {6,D} -6 Cd 0 {5,D} {1,S} - - - - -36dihydro12dioxin -1 Cs 0 {2,S} {6,S} -2 * Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {3,S} {5,S} -5 Os 0 {4,S} {6,S} -6 Os 0 {5,S} {1,S} - - - - -//34dihydro12dioxin -//1 Cd 0 {6,S} {2,D} -//2 Cd 0 {3,S} {1,D} -//3 Cs 0 {4,S} {2,S} -//4 * Cs 0 {3,S} {5,S} -//5 Os 0 {4,S} {6,S} -//6 Os 0 {5,S} {1,S} - - - - - -14dioxin -1 Cd 0 {6,S} {2,D} -2 Cd 0 {3,S} {1,D} -3 Os 0 {4,S} {2,S} -4 * Cd 0 {3,S} {5,D} -5 Cd 0 {6,S} {4,D} -6 Os 0 {5,S} {1,S} - - - - -124trioxane -1 Os 0 {6,S} {2,S} -2 Cs 0 {3,S} {1,S} -3 Os 0 {4,S} {2,S} -4 * Cs 0 {3,S} {5,S} -5 Cs 0 {6,S} {4,S} -6 Os 0 {5,S} {1,S} - - - - -123trioxane -1 Os 0 {6,S} {2,S} -2 Os 0 {3,S} {1,S} -3 Cs 0 {4,S} {2,S} -4 * Cs 0 {3,S} {5,S} -5 Cs 0 {6,S} {4,S} -6 Os 0 {5,S} {1,S} - - - - -124trioxene -1 Os 0 {6,S} {2,S} -2 Cs 0 {3,S} {1,S} -3 Os 0 {4,S} {2,S} -4 * Cd 0 {3,S} {5,D} -5 Cd 0 {6,S} {4,D} -6 Os 0 {5,S} {1,S} - - - - -123trioxene -1 Os 0 {6,S} {2,S} -2 Os 0 {3,S} {1,S} -3 Cs 0 {4,S} {2,S} -4 * Cd 0 {3,S} {5,D} -5 Cd 0 {6,S} {4,D} -6 Os 0 {5,S} {1,S} - - - - -13cyclohexadiene5methylene -1 Cs 0 {6,S} {2,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {6,S} {4,D} -6 * Cd 0 {5,S} {1,S} {7,D} -7 Cd 0 {6,D} - - - - -14cyclohexadiene3methylene -1 Cd 0 {6,S} {2,D} -2 Cd 0 {3,S} {1,D} -3 Cs 0 {4,S} {2,S} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {6,S} {4,D} -6 * Cd 0 {5,S} {1,S} {7,D} -7 Cd 0 {6,D} - - - - -24cyclohexadienone -1 Cs 0 {6,S} {2,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {6,S} {4,D} -6 * CO 0 {5,S} {1,S} - - - - -25cyclohexadienone -1 * CO 0 {2,S} {6,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {3,S} {5,S} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {1,S} {5,D} - - - - -fg6 -1 * CO 0 {2,S} {6,S} -2 Cd 0 {1,S} {3,S} {7,D} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {1,S} {5,D} -7 Cd 0 {2,D} - - - - -oxylene -1 * Cd 0 {5,S} {6,S} {8,D} -2 Cd 0 {3,D} {6,S} -3 Cd 0 {4,S} {2,D} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {1,S} {4,D} -6 Cd 0 {1,S} {2,S} {7,D} -7 Cd 0 {6,D} -8 Cd 0 {1,D} - - - -obenzoquinone -1 * C 0 {5,S} {6,S} {8,D} -2 Cd 0 {3,D} {6,S} -3 Cd 0 {4,S} {2,D} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {1,S} {4,D} -6 C 0 {1,S} {2,S} {7,D} -7 Od 0 {6,D} -8 Od 0 {1,D} - - - -pxylene -1 * Cd 0 {4,S} {5,S} {6,D} -2 Cd 0 {5,D} {7,S} -3 Cd 0 {4,D} {7,S} -4 Cd 0 {1,S} {3,D} -5 Cd 0 {1,S} {2,D} -6 Cd 0 {1,D} -7 Cd 0 {3,S} {2,S} {8,D} -8 Cd 0 {7,D} - - - - -pbenzoquinone -1 * CO 0 {4,S} {5,S} -2 Cd 0 {5,D} {6,S} -3 Cd 0 {4,D} {6,S} -4 Cd 0 {1,S} {3,D} -5 Cd 0 {1,S} {2,D} -6 CO 0 {3,S} {2,S} - - -//****************************** - -12methylenecyclopentane -1 * Cd 0 {2,S} {5,S} {6,D} -2 Cd 0 {1,S} {3,S} {7,D} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} -6 Cd 0 {1,D} -7 Cd 0 {2,D} - - - - -butyrolactone -1 * CO 0 {2,S} {5,S} -2 Os 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} - - - - -25dihydrofuran -1 * Cs 0 {5,S} {2,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {5,S} {3,S} -5 Os 0 {4,S} {1,S} - - - - -12dioxolane -1 * Os 0 {5,S} {2,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {4,S} {2,S} -4 Cs 0 {5,S} {3,S} -5 Os 0 {4,S} {1,S} - - - - - -12dioxolene -1 * Os 0 {5,S} {2,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {5,S} {3,S} -5 Os 0 {4,S} {1,S} - - - - -123trioxolane -1 * Os 0 {5,S} {2,S} -2 Os 0 {1,S} {3,S} -3 Cs 0 {4,S} {2,S} -4 Cs 0 {5,S} {3,S} -5 Os 0 {4,S} {1,S} - - - - -124trioxolane -1 * Os 0 {5,S} {2,S} -2 Cs 0 {1,S} {3,S} -3 Os 0 {4,S} {2,S} -4 Cs 0 {5,S} {3,S} -5 Os 0 {4,S} {1,S} - - - - -methylenecyclopentane -1 * Cd 0 {5,S} {2,S} {6,D} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {4,S} {2,S} -4 Cs 0 {5,S} {3,S} -5 Cs 0 {4,S} {1,S} -6 Cd 0 {1,D} - -3-Methylenecyclopentene -1 * Cs 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} -3 Cd 0 {1,S} {5,S} {6,D} -4 Cd 0 {2,S} {5,D} -5 Cd 0 {3,S} {4,D} -6 Cd 0 {3,D} - -4-Methylenecyclopentene -1 * Cs 0 {3,S} {4,S} -2 Cs 0 {3,S} {5,S} -3 Cd 0 {1,S} {2,S} {6,D} -4 Cd 0 {1,S} {5,D} -5 Cd 0 {2,S} {4,D} -6 Cd 0 {3,D} - -3,4-dimethylenecyclohexene -1 * C 0 {2,S} {3,S} -2 C 0 {1,S} {5,S} -3 Cd 0 {1,S} {4,S} {7,D} -4 Cd 0 {3,S} {6,S} {8,D} -5 Cd 0 {2,S} {6,D} -6 Cd 0 {4,S} {5,D} -7 Cd 0 {3,D} -8 Cd 0 {4,D} - -1,3-cyclooctadiene -1 * Cd 0 {2,D} {8,S} -2 Cd 0 {1,D} {3,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {3,D} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {1,S} {7,S} - -1,4-cyclooctadiene -1 * Cd 0 {2,D} {8,S} -2 Cd 0 {1,D} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {4,D} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {1,S} {7,S} - -1,5-cyclooctadiene -1 * Cd 0 {2,D} {8,S} -2 Cd 0 {1,D} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {5,D} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {1,S} {7,S} - -1,4-Cycloheptadiene -1 * C 0 {2,D} {7,S} -2 Cd 0 {1,D} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {4,D} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {1,S} {6,S} - -// Sulfur containing rings -// Added by Aaron Vandeputte August 25th 2009 - - -// Three membered rings - -thiirene -1 * S 0 {2,S} {3,S} -2 C 0 {1,S} {3,D} -3 C 0 {1,S} {2,D} - -thiirane -1 * S 0 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 C 0 {1,S} {2,S} - -dithiirane -1 * S 0 {2,S} {3,S} -2 S 0 {1,S} {3,S} -3 C 0 {1,S} {2,S} - -trithiirane -1 * S 0 {2,S} {3,S} -2 S 0 {1,S} {3,S} -3 S 0 {1,S} {2,S} - - - -// Four membered rings - - - -thietane -1 * S 0 {2,S} {4,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {1,S} {3,S} - -1,2-dithietane -1 * S 0 {2,S} {4,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {1,S} {3,S} - -1,3-dithietane -1 * S 0 {2,S} {4,S} -2 C 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {1,S} {3,S} - -trithietane -1 * S 0 {2,S} {4,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {1,S} {3,S} - -tetrathietane -1 * S 0 {2,S} {4,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 S 0 {1,S} {3,S} - - - -// Five membered rings - - - -thiolane -1 * S 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {1,S} {4,S} - -2,3-dihydrothiophene -1 * S 0 {2,S} {5,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {2,D} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {1,S} {4,S} - -2,5-dihydrothiophene -1 * S 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {3,D} {5,S} -5 C 0 {1,S} {4,S} - -thiophene -1 * S 0 {2,S} {5,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {2,D} {4,S} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {1,S} {4,D} - -1,2-dithiolane -1 * S 0 {2,S} {5,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {1,S} {4,S} - -1,3-dithiolane -1 * S 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {1,S} {4,S} - -1,2,3-trithiolane -1 * S 0 {2,S} {5,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {1,S} {4,S} - -1,2,4-trithiolane -1 * S 0 {2,S} {5,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 S 0 {3,S} {5,S} -5 C 0 {1,S} {4,S} - -tetrathiolane -1 * S 0 {2,S} {5,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 S 0 {3,S} {5,S} -5 C 0 {1,S} {4,S} - -pentathiolane -1 * S 0 {2,S} {5,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 S 0 {3,S} {5,S} -5 S 0 {1,S} {4,S} diff --git a/output/RMG_database/thermo_groups/Ring_Library.txt b/output/RMG_database/thermo_groups/Ring_Library.txt deleted file mode 100644 index 2923a63b28..0000000000 --- a/output/RMG_database/thermo_groups/Ring_Library.txt +++ /dev/null @@ -1,187 +0,0 @@ -///////////////////////////////////////////////////////////// -// -// Paul Yelvington, July 6, 2004 -// Symmetry number removed. Bi,Tri-cycles removed. -// Paul Yelvington, June 17, 2004 -// Added generic ring groups. Values refer to the cyclo-alkane. -// Jing Song, Feb, 17, 2004 -// change the original Ring_Correction.txt into -// Ring_Dictionary.txt, Ring_Tree.txt, and Ring_Library.txt -// To be consistent with other thermo databases -// -///////////////////////////////////////////////////////////// - -1 Cyclopropane 27.53 32.00880958 -3.227 -2.849 -2.536 -2.35 -2.191 -2.111 -1.76 0 0 0 Cyclopropane ring BENSON -2 Cyclopropene 55.47022422 33.32566974 -0.469 -0.789 -0.953 -1.107 -1.45 -1.696 -1.716 0 0 0 Cyclopropene ring BENSON -125 Cyclopropadiene 73.04 33.32566974 -0.469 -0.789 -0.953 -1.107 -1.45 -1.696 -1.716 0 0 0 Enthalpy from doi:10.1021/j100005a002 (S and Cp from Cyclopropene row above) -126 Cyclopropatriene 78.0 33.32566974 -0.469 -0.789 -0.953 -1.107 -1.45 -1.696 -1.716 0 0 0 Enthalpy from doi:10.1021/j100005a002 (S and Cp from Cyclopropene row above) -3 Methylene_cyclopropane 40.92 31.45066974 -2.1 -2.121 -2.081 -2.005 -1.98 -1.903 -1.541 0 0 0 Methylene cyclopropane ring BENSON -4 dioxirane 25.19771558 32.38766974 -3.099 -3.194 -3.095 -3.038 -3.281 -3.818 -1.346 0 0 0 -5 cyclopropanone 45.6 30.72466974 -2.274 -1.932 -1.307 -0.838 -1.06 -1.032 -0.271 0 0 0 -6 12Methylenecyclopropane 51.47110208 35.35866974 -2.326 -3.139 -3.361 -3.148 -2.736 -2.412 -1.706 0 0 0 -7 2(co)oxirane 40.76989009 34.529 0.147 -1.715 -2.067 -2.254 -2.546 -2.592 -1.488 0 0 0 -8 cyclopropanedione 67.29752019 38.91066974 2.85 1.69 0.674 -0.137 -1.157 -2.068 0.878 0 0 0 -9 cyclopropenone 56.77399816 35.61566974 -0.734 -1.275 -1.673 -1.861 -2.134 -2.557 -1.78 0 0 0 -10 methylenecyclopropene 69.3159927 39.88566974 0.457 -0.093 -0.645 -1.124 -1.936 -2.246 -2.962 0 0 0 -11 methylenecyclopropanone 57.7945766 37.18 -0.13 -1.101 -1.774 -2.139 -2.509 -2.858 -0.084 0 0 0 -12 methyleneoxirane 36.05425989 29.893 -2.101 -2.381 -2.338 -2.236 -2.424 -2.639 -2.068 0 0 0 -13 Cyclobutane 26.2 29.8 -4.61 -3.89 -3.14 -2.64 -1.88 -1.38 -0.67 0 0 0 Cyclobutane ring BENSON -14 Cyclobutene 29.84 29.86766974 -3.038 -2.783 -2.423 -2.153 -1.888 -1.694 -1.258 0 0 0 Cyclobutene ring BENSON -15 12dioxetane 28.07355355 29.02166974 -3.586 -4.031 -3.818 -3.503 -3.252 -3.45 1.262 0 0 0 -16 dioxerene 24.44132324 29.78266974 -3.375 -4.281 -4.206 -4.037 -3.926 -3.327 -2.473 0 0 0 -17 methylenecyclobutane 26.9 28.88866974 -3.91 -3.339 -2.739 -2.2 -1.51 -1.051 -62.52 0 0 0 -18 2methyleneoxetane 23.79 25.597 -3.33 -3.553 -3.213 -2.78 -2.445 -2.331 0.556 0 0 0 -19 cyclobutadiene 77.21353163 36.43033948 -2.336 -3.24 -3.526 -3.419 -3.071 -2.761 -2.346 0 0 0 -20 12methylenecyclobutane 28.04 31.48766974 -4.313 -4.605 -4.416 -3.887 -3.024 -2.355 -1.276 0 0 0 -21 Cyclopentane 6.3 27.3 -6.5 -5.5 -4.5 -3.8 -2.8 -1.93 -0.37 0 0 0 Cyclopentane ring BENSON -22 Cyclopentene 5.97 25.8283738 -4.5 -3.942 -3.291 -2.759 -2.08 -1.628 -0.898 0 0 0 Cyclopentene ring BENSON -23 Cyclopentadiene 6.05 27.98213548 -3.784497608 -3.72708134 -3.268803828 -2.743827751 -2.053588517 -1.654641148 -0.987559809 0 0 0 Cyclopentadiene ring BENSON -24 12methylenecyclopentane 6.67 31.384 -4.844 -5.197 -4.882 -4.175 -2.988 -2.088 -0.655 0 0 0 -25 butyrolactone 7.92 27.45466974 -5.836 -5.134 -4.114 -3.222 -2.341 -1.822 1.888 0 0 0 -26 25dihydrofuran 4.236743497 25.15043142 -3.946 -3.361 -2.438 -1.799 -1.458 -1.056 -0.254 0 0 0 -27 12dioxolane 6.053830707 25.05543142 -4.95 -4.859 -4.265 -3.679 -3.089 -3.091 1.915 0 0 0 -28 12dioxolene 4.568530962 29.97 -4.159 -4.213 -3.754 -3.376 -3.14 -2.919 -1.982 0 0 0 -29 123trioxolane 10.19707101 23.316 -2.566 -3.543 -3.344 -2.829 -2.487 -2.78 2.13 0 0 0 -30 124trioxolane 9.4531912 25.11043142 -5.648 -4.764 -3.63 -2.89 -2.711 -2.859 2.25 0 0 0 -31 methylenecyclopentane 5.21 24.62866974 -5.861 -4.909 -3.91 -3.01 -1.769 -0.969 0 0 0 0 -32 Cyclohexane 0.08 18.12768375 -5.8 -4.1 -2.9 -1.3 1.08 2.16 3 0 0 0 Cyclohexane ring BENSON https://sourceforge.net/forum/forum.php?thread_id=2801737&forum_id=904254 -33 Cyclohexene 1.17 21.21143142 -5.1 -4.3 -3.3 -2.5 -1.4 -0.7 0.4 0 0 0 Cyclohexene ring BENSON -34 1,3-Cyclohexadiene 3.78 23.98243142 -4.8 -4.7 -4.2 -3.5 -2.5 -1.8 -0.7 0 0 0 1,3-Cyclohexadiene ring BENSON -35 1,4-Cyclohexadiene 0.52 25.38486284 -3.4 -3.2 -2.6 -1.9 -1.2 -0.8 0.2 0 0 0 1,4-Cyclohexadiene ring BENSON -36 14methylenecyclohexane 1.23 15.73143142 -6 -5.349 -4.468 -3.521 -2.203 -1.238 0.384 0 0 0 -37 36dihydro2hpyran 1.43 19.2 -4.4 -4 -3 -2.2 -1.5 -0.8 2.3 0 0 0 -38 12dioxane 3.9 19.64243142 -5.66 -5.11 -4.17 -3.36 -2.52 -2.4 2.76 0 0 0 -39 36dihydro12dioxin 3.32 18.72 -5.45 -4.66 -3.81 -3.16 -2.65 -2.68 -1.53 0 0 0 -40 34dihydro12dioxin 1.07 20.3 -4.7 -4.9 -4.3 -3.7 -3.11 -2.62 0.62 0 0 0 -41 14dioxin 11.71 27.6 -5.9 -7.5 -7.5 -7.5 -6.8 -5.6 -4.2 -2.9 0 0 -42 124trioxane 3.6 19.9 -4.68 -4.07 -2.95 -2.09 -1.73 -1.8 5.2 0 0 0 -43 123trioxane 4.87 17.2 -2.08 -2.81 -2.55 -1.93 -1.55 -1.9 3.09 0 0 0 -44 124trioxene 6.98 24.5 -5.51 -5.86 -5.48 -4.98 -4.44 -4.15 -0.75 0 0 0 -45 123trioxene 4 21.57 -1.73 -2.67 -2.62 -2.27 -2.14 -2.08 -0.97 0 0 0 -46 13cyclohexadiene5methylene -4.78 28.295 -5.437 -6.088 -5.788 -4.994 -3.626 -2.664 -1.187 0 0 0 -47 14cyclohexadiene3methylene -2.31 27.775 -2.818 -2.82 -2.578 -2.314 -2.091 -1.771 -1.49 0 0 0 -48 24cyclohexadienone -10.77000001 29.286 -3.46 -4.214 -4.306 -4.049 -3.424 -3.243 0.32 0 0 0 -49 25cyclohexadienone -7.63 22.52643142 -3.3 -3.342 -3.034 -2.574 -1.976 -1.883 -0.24 0 0 0 -50 fg6 -4.62 28.901 -5.597 -6.43 -6.331 -5.573 -4.198 -3.361 -1.155 0 0 0 -51 oxylene 4.16 32.519 -2.078 -2.192 -2.249 -2.275 -2.541 -2.331 -2.797 0 0 0 -52 pxylene 1.16 31.34986284 -2.139 -2.309 -2.384 -2.407 -2.643 -2.403 -2.826 0 0 0 -53 pbenzoquinone 15.52 24.92386284 -2.957 -3.282 -3.278 -2.934 -2.427 -2.627 -0.312 0 0 0 -54 obenzoquinone 11 25.331 -2.887 -3.225 -3.233 -2.897 -2.4 -2.365 -0.077 0 0 0 -55 Cycloheptane 6.4 15.9 -9.1 0 0 0 0 0 0 0 0 0 Cycloheptane ring BENSON -56 Cycloheptene 5.4 15.6 -9.1 0 0 0 0 0 0 0 0 0 Cycloheptene ring BENSON Cp 300K copied from cycloheptane -57 1,3-Cycloheptadiene 6.6 0 0 0 0 0 0 0 0 0 0 0 1,3-Cycloheptadiene ring BENSON -58 1,3,5-Cycloheptatriene 4.7 23.7 0 0 0 0 0 0 0 0 0 0 1,3,5-Cycloheptatriene ring BENSON -//59 Cyclooctane 9.9 16.5 -10.6 0 0 0 0 0 0 0 0 0 Cyclooctane ring BENSON -59 Cyclooctane 10.5 16.63 -8.8 -7.5 -5.9 -4.5 -2.3 -0.8 1.4 0 0 0 Updated AG Vandeputte (good agreement with BENSON correction but explicit for cyclooctane from CBS-QB3 isodesmic reaction and B3LYP/cbsb7 for S and cp, results in perfect agreement with calculations of Dorofeeva et al.) -//60 cis-Cyclooctene 6 12.0 -10.6 0 0 0 0 0 0 0 0 0 cis-Cyclooctene ring BENSON Cp 300K copied from cyclo-octane -60 cis-Cyclooctene 6.8 13.01 -6.9 -5.8 -4.6 -3.4 -1.8 -0.7 1.2 0 0 0 Updated AG Vandeputte (CBS-QB3 isodesmic reaction and B3LYP/cbsb7 for S and cp) -//61 trans-Cyclooctene 15.3 0 0 0 0 0 0 0 0 0 0 0 trans-Cyclooctene ring BENSON -62 1,3,5-Cyclooctatriene 8.9 13.89 -4.9 -4.3 -3.3 -2.5 -1.3 -0.5 1.0 0 0 0 1,3,5-Cyclooctatriene ring BENSON, S and cp from 1,4-cyclooctadiene -63 Cyclooctatetraene 17.1 13.89 -4.9 -4.3 -3.3 -2.5 -1.3 -0.5 1.0 0 0 0 Cyclooctatetraene ring BENSON, S and cp from 1,4-cyclooctadiene -64 Cyclononane 12.8 0 0 0 0 0 0 0 0 0 0 0 Cyclononane ring BENSON -//65 cis-Cyclononene 9.9 0 0 0 0 0 0 0 0 0 0 0 cis-Cyclononene ring BENSON -//66 trans-Cyclononene 12.8 0 0 0 0 0 0 0 0 0 0 0 trans-Cyclononene ring BENSON -67 Cyclodecane 12.6 0 0 0 0 0 0 0 0 0 0 0 Cyclodecane ring BENSON -//68 Cyclododecane 4.4 0 0 0 0 0 0 0 0 0 0 0 Cyclododecane ring BENSON -69 Ethylene_oxide 26.82 31.17666974 -1.891 -2.459 -2.221 -1.969 -1.965 -1.759 2.564 0 0 0 CY/C2O from THERM (Dorofeeva, 92) Cp1500 est. as Cp1000 -70 Oxetane 25.08 28.54866974 -4.08 -4.28 -3.636 -3.016 -2.451 -1.896 2.84 0 0 0 CY/C3O from THERM (Dorofeeva, 92) Cp1500 est. as Cp1000 -71 Tetrahydrofuran 5.96 21.16243142 -5.93 -5.71 -4.67 -3.721 -2.689 -1.856 3.213 0 0 0 CY/C4O from THERM (Dorofeeva, 92) Cp1500 est. as Cp1000 -//72 Tetrahydro-2H-pyran 0.8 17.18 -6.02 -5.48 -4.18 -2.98 -1.56 -0.48 -0.48 0 0 0 CY/C5O from THERM (Dorofeeva, 92) Cp1500 est. as Cp1000 -73 1,3-Dioxane 1.88 16.19243142 -6.28 -5.951 -4.458 -3.15 -1.967 -0.83 6.799 0 0 0 1,3-Dioxane ring BENSON -74 1,4-Dioxane 3.4 17.80486284 -4.6 -5 -3.8 -2.6 -1.5 -0.4 8.9 0 0 0 1,4-Dioxane ring BENSON -75 1,3,5-Trioxane 4.09 16.19525233 -7.01 -5.719 -3.632 -2.189 -1.525 -0.624 7.031 0 0 0 1,3,5-Trioxane ring BENSON -76 2,3-Dihydrofuran 4.57 23.83 -5.56 -5.96 -5.695 -5.144 -4.218 -3.708 -0.284 0 0 0 2,3-Dihydrofuran ring BENSON -77 1,3-Dioxolane 5.13 20.40213548 -5.655 -6.405 -6.306 -6.405 -7.631 -8.27 -3.21 0 0 0 1,3-Dioxolane ring BENSON -78 Furan 6.89 30.08566974 -6.058 -7.002 -6.774 -6.09 -4.988 -3.95 -2.882 0 0 0 Furan ring BENSON -79 3,4-Dihydro-2H-pyran 3.94 22.01 -6.26 -6.496 -5.96 -5.142 -3.74 -2.915 0.529 0 0 0 3,4-Dihydro-2H-pyran ring BENSON -80 Dihydro-2,5-furandione 1.4 37.76466974 -5.235 -4.726 -3.615 -1.82 -1.835 -1.084 1.104 0 0 0 Dihydro-2,5-furandione ring BENSON -//81 Pentanedioic_anhydride 0.8 0 0 0 0 0 0 0 0 0 0 0 Pentanedioic anhydride ring BENSON -82 2,5-Furandione 3.6 0 0 0 0 0 0 0 0 0 0 0 2,5-Furandione ring BENSON -83 Beta-Propiolactone 22.98 30.392 -4.434 -4.019 -3.31 -2.703 -2.253 -2.012 1.3 0 0 0 Beta-Propiolactone ring BENSON -84 4-Methylene-2-oxetanone 16.94 35.47700923 -1.912 -1.903 -1.567 -1.378 -1.566 -1.528 1.547 0 0 0 4-Methylene-2-oxetanone ring BENSON -85 Cyclobutanone 22.53 29.83366974 -5.62 -4.96 -3.744 -2.671 -1.962 -1.415 -0.3 0 0 0 Cyclobutanone ring BENSON -86 Cyclopentanone 4.47 24.62866974 -6.06 -4.927 -3.392 -2.097 -1.093 -0.322 1.29 0 0 0 Cyclopentanone ring BENSON -87 Cyclohexanone 1.29 19.1 -5.4 -3.9 -2.3 -1 0.1 0.9 0 0 0 0 Cyclohexanone ring BENSON -88 Cycloheptanone 2.3 0 0 0 0 0 0 0 0 0 0 0 Cycloheptanone ring BENSON -89 Cyclooctanone 1.5 0 0 0 0 0 0 0 0 0 0 0 Cyclooctanone ring BENSON -90 Cyclononanone 4.7 0 0 0 0 0 0 0 0 0 0 0 Cyclononanone ring BENSON -91 Cyclodecanone 3.6 0 0 0 0 0 0 0 0 0 0 0 Cyclodecanone ring BENSON -//92 Cycloundecanone 4.4 0 0 0 0 0 0 0 0 0 0 0 Cycloundecanone ring BENSON -//93 Cyclododecanone 3 0 0 0 0 0 0 0 0 0 0 0 Cyclododecanone ring BENSON -//94 Cyclo(C15)anone 2.1 0 0 0 0 0 0 0 0 0 0 0 Cyclo(C15)anone ring BENSON -//95 Cyclo(C17)anone 1.1 0 0 0 0 0 0 0 0 0 0 0 Cyclo(C17)anone ring BENSON -// added following nodes (pey) -96 Ring 0 0 0 0 0 0 0 0 0 0 0 0 Dummy Root -97 ThreeMember Cyclopropane -98 FourMember Cyclobutane -99 FiveMember Cyclopentane -100 SixMember Cyclohexane -101 SevenMember Cycloheptane -102 EightMember Cyclooctane -103 NineMember Cyclononane -104 TenMember Cyclodecane -105 sixnosidedouble Cyclohexane -106 six-sidedoubles 10 10 10 10 10 10 10 10 0 0 0 0 -107 six-onesidedouble Cyclohexanone -108 sixmembd-allsingles-twosidedoubles-para 14methylenecyclohexane -109 sixmembd-allsingles-twosidedoubles-ortho six-sidedoubles -110 sixmembd-allsingles-twosidedoubles-meta six-sidedoubles -111 Oxane 0.7 18.8 -6 -5.5 -4.2 -3 -1.6 -0.5 4.9 0 0 0 -112 24dihydro13dioxin 3.1 20.2 -5.5 -5.1 -4.2 -3.4 -2.8 -2.3 0.9 0 0 0 -113 23dihydro14dioxin 7.9 19.3 -6.3 -7.5 -7.5 -6.9 -5.5 -4.9 0.7 0 0 0 -114 six-inringonedouble Cyclohexene -115 six-inringtwodouble-13 1,3-Cyclohexadiene -116 six-inringtwodouble-14 1,4-Cyclohexadiene -117 six-inringtwodouble-12 10 10 10 10 10 10 10 10 10 0 0 0 -118 six-oneside-twoindoubles-25 14cyclohexadiene3methylene -119 six-oneside-twoindoubles-24 13cyclohexadiene5methylene -120 six-twoin13-twoout oxylene -121 six-twoin14-twoout pxylene -122 Fulvene 14.73 34.1 -3.1 -3.4 -3.4 -3.2 -3 -2.6 -2.6 0 0 0 -//37 Ethylene_oxide 26.9 30.5 -2 -2.8 -3 -2.6 -2.3 -2.3 -2.3 0 0 0 Ethylene oxide ring BENSON Cp1500 est. as Cp1000 -//38 Oxetane 25.7 27.7 -4.6 -5 -4.2 -3.5 -2.5 0.2 0.2 0 0 0 Oxetane ring BENSON Cp1500 est. as Cp1000 -//39 Tetrahydrofuran 5.9 0 0 0 0 0 0 0 0 0 0 0 Tetrahydrofuran ring BENSON -//40 Tetrahydro-2H-pyran 0.5 0 0 0 0 0 0 0 0 0 0 0 Tetrahydro-2H-pyran ring BENSON -123 3-Methylenecyclopentene 6.2 28.9 -4.9 -4.8 -4.4 -3.7 -2.7 -2 -0.9 0 0 0 Copied from 4-methylenecyclopentene -124 4-Methylenecyclopentene 6.2 28.9 -4.9 -4.8 -4.4 -3.7 -2.7 -2 -0.9 0 0 0 //Sandeep Sharma Ph.D -125 3,4-dimethylenecyclohexene 4.2 32.5 -2.1 -2.2 -2.2 -2.3 -2.5 -2.3 -0.3 0 0 0 //Copied from o-xylene -//126 1,3-cyclooctadiene 6.1 12.0 -10.6 0 0 0 0 0 0 0 0 0 Automated Estimation of Ring Strain Energies, Gasteiger, 1978, S, Cp from Cyclooctane -//127 1,4-cyclooctadiene 6.1 12.0 -10.6 0 0 0 0 0 0 0 0 0 Automated Estimation of Ring Strain Energies, Gasteiger, 1978, S, Cp from Cyclooctane -//128 1,5-cyclooctadiene 6.1 12.0 -10.6 0 0 0 0 0 0 0 0 0 Automated Estimation of Ring Strain Energies, Gasteiger, 1978, S, Cp from Cyclooctane -126 1,3-cyclooctadiene 1,4-cyclooctadiene -127 1,4-cyclooctadiene 8.2 13.89 -4.9 -4.3 -3.3 -2.5 -1.3 -0.5 1.0 0 0 0 Updated AG Vandeputte (CBS-QB3 isodesmic reaction and B3LYP/cbsb7 for S and cp) -128 1,5-cyclooctadiene 1,4-cyclooctadiene -129 1,4-Cycloheptadiene 4.3 15.9 -9.1 0 0 0 0 0 0 0 0 0 Automated Estimation of Ring Strain Energies, Gasteiger, 1978, S, Cp from Cycloheptane -133 thiirane 17.82 28.57 -3.02 -2.54 -2.13 -1.81 -1.49 -1.26 -0.96 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -134 dithiirane 21.37 31.73 -7.26 -6.35 -5.37 -4.63 -3.67 -3.08 -2.21 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -135 trithiirane 33.01 34.89 -6.97 -6.66 -6.40 -6.29 -6.10 -5.72 -4.28 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -136 thietane 19.82 25.35 -4.42 -3.66 -2.92 -2.30 -1.53 -1.01 -0.30 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -137 1,2-dithietane 23.45 24.44 -4.24 -3.62 -3.13 -2.69 -2.11 -1.62 -0.79 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -138 1,3-dithietane 16.87 29.55 -11.59 -9.53 -7.27 -5.52 -3.34 -2.19 -0.96 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -139 trithietane 30.77 29.05 -8.81 -7.66 -6.51 -5.66 -4.53 -3.75 -2.33 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -140 tetrathietane 43.10 32.19 -7.92 -7.46 -7.14 -6.99 -6.77 -6.27 -4.36 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -141 thiolane 2.02 20.68 -5.61 -4.54 -3.51 -2.63 -1.49 -0.73 0.32 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -142 2,3-dihydrothiophene 3.37 24.24 -5.58 -4.63 -3.67 -2.89 -1.90 -1.26 -0.41 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -143 2,5-dihydrothiophene 2.19 28.23 -10.84 -9.28 -7.17 -5.42 -3.18 -1.97 -0.74 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -144 thiophene -17.22 23.78 -5.15 -3.75 -2.70 -2.03 -1.45 -1.14 -0.76 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -145 1,2-dithiolane 23.29 23.78 -5.15 -6.27 -7.52 -8.83 -11.39 -13.48 -16.94 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -146 1,3-dithiolane 0.48 22.84 -8.45 -6.68 -4.91 -3.49 -1.72 -0.70 0.45 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -147 1,2,3-trithiolane 9.12 22.01 -5.51 -4.63 -3.98 -3.49 -2.82 -2.20 -0.88 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -148 1,2,4-trithiolane 4.40 24.39 -11.78 -9.58 -7.37 -5.67 -3.50 -2.26 -0.71 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -149 tetrathiolane 10.72 26.56 -9.82 -8.46 -7.22 -6.33 -5.17 -4.28 -2.40 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -150 pentathiolane 17.23 30.31 -8.87 -8.30 -7.89 -7.72 -7.45 -6.84 -4.46 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 2009 -151 thiirene 52.44 34.28 -1.13 -3.80 -6.26 -8.36 -11.65 -14.12 -18.01 0 0 0 CBS-QB3 GA 1D-HR Aaron Vandeputte 20009 -152 Cyclopentatriene 70.16 36.76 -4.08 -4.69 -4.58 -4.25 -3.54 -3.08 -2.47 0 0 0 CBS-QB3 isodesmic reaction approach allene + 2-butene = cyclopentatriene + 2 CH4, DHr = 220.8 kJ mol-1, exp data from NIST -153 six-inringthreedouble 36.04 26.47 -4.21 -4.32 -3.9 -3.46 -2.71 -2.25 -1.38 0 0 0 CBS-QB3 isodesmic reaction approach C1=CC=CCC=1 + 3 ethane + ethene = allene + 2 2-butene + propane - -//154 Bicyclopentane 6.3 22.3 -6.5 -5.5 -4.5 -3.8 -2.8 -1.93 -0.37 0 0 0 A.G. Vandeputte, to bring the entropy of 2 adjacent cyclics in better agreement with the calculated data, -5 cal / mol K -//155 Bicyclopentene_1 6.3 17.3 -6.5 -5.5 -4.5 -3.8 -2.8 -1.93 -0.37 0 0 0 -//156 Bicyclopentene_2 6.3 17.3 -6.5 -5.5 -4.5 -3.8 -2.8 -1.93 -0.37 0 0 0 -//157 Bicyclopentene_3 6.3 17.3 -6.5 -5.5 -4.5 -3.8 -2.8 -1.93 -0.37 0 0 0 -//158 Bicyclopentadiene_11 5.97 15.83 -4.5 -3.942 -3.291 -2.759 -2.08 -1.628 -0.898 0 0 0 -//159 Bicyclopentadiene_12 5.97 15.83 -4.5 -3.942 -3.291 -2.759 -2.08 -1.628 -0.898 0 0 0 -//160 Bicyclopentadiene_13 5.97 20.83 -4.5 -3.942 -3.291 -2.759 -2.08 -1.628 -0.898 0 0 0 -//161 Bicyclopentadiene_21 5.97 20.83 -4.5 -3.942 -3.291 -2.759 -2.08 -1.628 -0.898 0 0 0 -//162 Bicyclopentadiene_22 5.97 15.83 -4.5 -3.942 -3.291 -2.759 -2.08 -1.628 -0.898 0 0 0 -//163 Bicyclopentadiene_31 5.97 20.83 -4.5 -3.942 -3.291 -2.759 -2.08 -1.628 -0.898 0 0 0 - diff --git a/output/RMG_database/thermo_groups/Ring_Tree.txt b/output/RMG_database/thermo_groups/Ring_Tree.txt deleted file mode 100644 index 97a798d668..0000000000 --- a/output/RMG_database/thermo_groups/Ring_Tree.txt +++ /dev/null @@ -1,194 +0,0 @@ -///////////////////////////////////////////////////////////////// -// -// Paul Yelvington, June 17, 2004 -// Added another level to the tree to distinguish ring size -// Jing Song, Feb, 17, 2004 -// change the original Ring_Correction.txt into -// Ring_Dictionary.txt, Ring_Tree.txt, and Ring_Library.txt -// To be consistent with other thermo databases -// Notice that for the tree file, all the nodes are at level 1 -// which is actually a list structure -// -// NOTE: converted from Unicode, and added an L0 node -- JR 2/22/04 -// -///////////////////////////////////////////////////////////////// - -L0: Ring - -L1: ThreeMember - L2: Cyclopropane - L2: Cyclopropene - L2: Cyclopropadiene - L2: Cyclopropatriene - L2: Methylene_cyclopropane - L2: Ethylene_oxide - L2: dioxirane - L2: cyclopropanone - L2: 12Methylenecyclopropane - L2: 2(co)oxirane - L2: cyclopropanedione - L2: cyclopropenone - L2: methylenecyclopropene - L2: methylenecyclopropanone - L2: methyleneoxirane - L2: thiirane - L2: dithiirane - L2: trithiirane - L2: thiirene -L1: FourMember - L2: Cyclobutane - L2: Cyclobutene - L2: Oxetane - L2: Beta-Propiolactone - L2: 4-Methylene-2-oxetanone - L2: Cyclobutanone - L2: 12dioxetane - L2: dioxerene - L2: methylenecyclobutane - L2: 2methyleneoxetane - L2: cyclobutadiene - L2: 12methylenecyclobutane - L2: thietane - L2: 1,2-dithietane - L2: 1,3-dithietane - L2: trithietane - L2: tetrathietane -L1: FiveMember - L2: Cyclopentane -// L3: Bicyclopentane -// L3: Bicyclopentene_1 -// L3: Bicyclopentene_2 -// L3: Bicyclopentene_3 - L2: Cyclopentene -// L3: Bicyclopentadiene_11 -// L3: Bicyclopentadiene_12 -// L3: Bicyclopentadiene_13 -// L3: Bicyclopentadiene_21 -// L3: Bicyclopentadiene_22 -// L3: Bicyclopentadiene_31 - L2: Cyclopentadiene - L2: Cyclopentatriene - L2: Tetrahydrofuran - L2: 2,3-Dihydrofuran - L2: 1,3-Dioxolane - L2: Furan - L2: Dihydro-2,5-furandione - L2: 2,5-Furandione - L2: Cyclopentanone - L2: 12methylenecyclopentane - L2: butyrolactone - L2: 25dihydrofuran - L2: 12dioxolane - L2: 12dioxolene - L2: 123trioxolane - L2: 124trioxolane - L2: methylenecyclopentane - L2: Fulvene - L2: 3-Methylenecyclopentene - L2: 4-Methylenecyclopentene - L2: thiolane - L2: 2,3-dihydrothiophene - L2: 2,5-dihydrothiophene - L2: thiophene - L2: 1,2-dithiolane - L2: 1,3-dithiolane - L2: 1,2,3-trithiolane - L2: 1,2,4-trithiolane - L2: pentathiolane -L1: SixMember - L2: sixnosidedouble - L3: Cyclohexane - L3: 12dioxane - L3: 1,3-Dioxane - L3: 1,4-Dioxane - L3: 1,3,5-Trioxane - L3: 124trioxane - L3: 123trioxane - L3: Oxane - L2: six-sidedoubles - L3: six-onesidedouble - L4: Cyclohexanone - L3: sixmembd-allsingles-twosidedoubles-para - L4: 14methylenecyclohexane - L3: sixmembd-allsingles-twosidedoubles-ortho - L3: sixmembd-allsingles-twosidedoubles-meta - L2: six-inringonedouble - L3: 34dihydro12dioxin - L3: 36dihydro2hpyran - L3: Cyclohexene - L3: 3,4-Dihydro-2H-pyran - L3: 36dihydro12dioxin - L3: 24dihydro13dioxin - L3: 23dihydro14dioxin - L3: 124trioxene - L3: 123trioxene - L2: six-inringtwodouble-13 - L3: 1,3-Cyclohexadiene - L2: six-inringtwodouble-14 - L3: 1,4-Cyclohexadiene - L3: 14dioxin - L2: six-inringthreedouble - L2: six-inringtwodouble-12 - L2: six-oneside-twoindoubles-25 - L3: 25cyclohexadienone - L3: 14cyclohexadiene3methylene - L2: six-oneside-twoindoubles-24 - L3: 13cyclohexadiene5methylene - L3: 24cyclohexadienone - L2: six-twoin13-twoout - L3: fg6 - L3: oxylene - L3: obenzoquinone - L2: six-twoin14-twoout - L3: pxylene - L3: pbenzoquinone - L2: 3,4-dimethylenecyclohexene -// L2: Pentanedioic_anhydride -L1: SevenMember - L2: Cycloheptane - L2: Cycloheptene - L2: 1,3-Cycloheptadiene - L2: 1,3,5-Cycloheptatriene - L2: Cycloheptanone - L2: 1,4-Cycloheptadiene -L1: EightMember - L2: Cyclooctane - L2: cis-Cyclooctene -// L2: trans-Cyclooctene - L2: 1,3,5-Cyclooctatriene - L2: Cyclooctatetraene - L2: Cyclooctanone - L2: 1,3-cyclooctadiene - L2: 1,4-cyclooctadiene - L2: 1,5-cyclooctadiene -L1: NineMember - L2: Cyclononane -// L2: cis-Cyclononene -// L2: trans-Cyclononene - L2: Cyclononanone -L1: TenMember - L2: Cyclodecane - L2: Cyclodecanone - -//Very large rings and bi,tri-cycles -//L2: Cyclododecane -//L2: Spiropentane -//L2: Bicyclo-(1,1,0)-butane -//L2: Bicyclo-(2,1,0)-pentane -//L2: Bicyclo-(3,1,0)-hexane -//L2: 2,5-Norbornadiene -//L2: Bicyclo-(4,1,0)-heptane -//L2: Bicyclo-(2,2,1)-heptane -//L2: Bicyclo-(5,1,0)-octane -//L2: Bicyclo-(6,1,0)-nonane -//L2: Biphenylene -//L2: Cycloundecanone -//L2: Cyclododecanone -//L2: Cyclo(C15)anone -//L2: Cyclo(C17)anone -//L2: 1,3-Benzodioxole -//L2: 1,4-Dioxatetralin -//L2: trans-Bicyclo[4.4.0]-3-decanone -//L2: cis-Bicyclo[4.4.0]-3-decanone -//L2: Xantene -//L2: Dodecahydrodibenzo[b,d]furan diff --git a/output/RMG_database/thermo_groups/Unifac_Dictionary.txt b/output/RMG_database/thermo_groups/Unifac_Dictionary.txt deleted file mode 100644 index 9485610ef0..0000000000 --- a/output/RMG_database/thermo_groups/Unifac_Dictionary.txt +++ /dev/null @@ -1,751 +0,0 @@ -///////////////////////////////////////////////////////// -// Group Additivity Dictionary for estimating species radii -// Amrit Jalan, April 2009 -// Taken from file Ufnrqm.dta- Sandler's BASIC code 1992 -// Only C,H and O groups included -///////////////////////////////////////////////////////// - -// Syntax: Following Sandler, we use AC for Aromatic Carbon, -// rather than Cb as used elsewhere in RMG - -R -1 * R 0 - -// Carbon adjList - -C // L1 Node -1 * C 0 - -// Carbon atom with 4 single bonds -Css -1 * Cs 0 - -// O atom with bonds undefined -O -1 * O 0 - -// O atom with single bonds only -Oss -1 * Os 0 - -// benzene carbon -Cb -1 * Cb 0 - -CO -1 * CO 0 - -// sp carbon -Ct -1 * Ct 0 - -// Carbon bonded with 1 double and 2 single bonds -Cds -1 * {Cd,CO} 0 - -Cdd -1 * Cdd 0 - -// O= -Od -1 * Od 0 - -//Carbon atom bonded only to C and H -CssH3 -1 * Cs 0 {2,S} {3,S} {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -// does not the definition of a fifth group because it can be H or C. Defining R!H would exclude methane. - -CssH2 -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 R!H 0 {1,S} -5 R!H 0 {1,S} - -CssH -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 H 0 {1,S} -3 R!H 0 {1,S} -4 R!H 0 {1,S} -5 R!H 0 {1,S} - -Css-noH -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 R!H 0 {1,S} -3 R!H 0 {1,S} -4 R!H 0 {1,S} -5 R!H 0 {1,S} - -CH2=CH -1 * Cd 0 {2,D} {4,S} {5,S} -2 Cd 0 {3,S} {1,D} {6,S} -3 R!H 0 {2,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} - -CH2=C*H -1 C 0 {2,D} {4,S} {5,S} -2 * C 0 {3,S} {1,D} {6,S} -3 R!H 0 {2,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} - -CH=CH -1 * Cd 0 {2,D} {4,S} {5,S} -2 Cd 0 {3,S} {1,D} {6,S} -3 R!H 0 {2,S} -4 R!H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} - - -CH2=C -1 * C 0 {2,D} {5,S} {6,S} -2 C 0 {3,S} {1,D} {4,S} -3 R!H 0 {2,S} -4 R!H 0 {2,S} -5 H 0 {1,S} -6 H 0 {1,S} - -CH2=C* -1 C 0 {2,D} {5,S} {6,S} -2 * C 0 {3,S} {1,D} {4,S} -3 R!H 0 {2,S} -4 R!H 0 {2,S} -5 H 0 {1,S} -6 H 0 {1,S} - -CH2=Cdd -1 * C 0 {2,D} {4,S} {5,S} -2 C 0 {3,D} {1,D} -3 R!H 0 {2,D} -4 H 0 {1,S} -5 H 0 {1,S} - -CH2=Cdd* -1 C 0 {2,D} {4,S} {5,S} -2 * C 0 {3,D} {1,D} -3 R!H 0 {2,D} -4 H 0 {1,S} -5 H 0 {1,S} - -CH2=CH2 -1 * C 0 {2,D} {5,S} {6,S} -2 C 0 {3,S} {1,D} {4,S} -3 H 0 {2,S} -4 H 0 {2,S} -5 H 0 {1,S} -6 H 0 {1,S} - -CH2=C*H2 -1 C 0 {2,D} {5,S} {6,S} -2 * C 0 {3,S} {1,D} {4,S} -3 H 0 {2,S} -4 H 0 {2,S} -5 H 0 {1,S} -6 H 0 {1,S} - -CH=C -1 * Cd 0 {2,D} {4,S} {6,S} -2 Cd 0 {3,S} {1,D} {5,S} -3 R!H 0 {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 H 0 {1,S} - -CH=C* -1 Cd 0 {2,D} {4,S} {6,S} -2 * Cd 0 {3,S} {1,D} {5,S} -3 R!H 0 {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 H 0 {1,S} - -CH=Cdd -1 * Cd 0 {2,D} {4,S} {5,S} -2 Cdd 0 {3,D} {1,D} -3 R!H 0 {2,D} -4 R!H 0 {1,S} -5 H 0 {1,S} - -CH=Cdd* -1 Cd 0 {2,D} {4,S} {5,S} -2 * Cdd 0 {3,D} {1,D} -3 R!H 0 {2,D} -4 R!H 0 {1,S} -5 H 0 {1,S} - -C=C -1 * Cd 0 {2,D} {4,S} {6,S} -2 Cd 0 {3,S} {1,D} {5,S} -3 R!H 0 {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 R!H 0 {1,S} - - -C=Cdd -1 * C 0 {2,D} {4,S} {5,S} -2 C 0 {3,D} {1,D} -3 R!H 0 {2,D} -4 R!H 0 {1,S} -5 R!H 0 {1,S} - -C=Cdd* -1 C 0 {2,D} {4,S} {5,S} -2 * C 0 {3,D} {1,D} -3 R!H 0 {2,D} -4 R!H 0 {1,S} -5 R!H 0 {1,S} - -Cdd=Cdd -1 * C 0 {2,D} {3,D} -2 C 0 {1,D} {4,D} -3 R!H 0 {1,D} -4 R!H 0 {2,D} - -ACH -1 * Cb 0 {2,S} -2 H 0 {1,S} - - -ACfused -1 * Cbf 0 - -ACfused2 -1 * Cb 0 {2,B} {3,B} {4,S} -2 Cb 0 {1,B} -3 Cb 0 {1,B} -4 C 0 {1,S} - -ACCH3 -1 * Cb 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 H 0 {2,S} -4 H 0 {2,S} -5 H 0 {2,S} - -ACC*H3 -1 Cb 0 {2,S} -2 * C 0 {1,S} {3,S} {4,S} {5,S} -3 H 0 {2,S} -4 H 0 {2,S} -5 H 0 {2,S} - -ACCH2 -1 * Cb 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 R!H 0 {2,S} -4 H 0 {2,S} -5 H 0 {2,S} - - -ACC*H2 -1 Cb 0 {2,S} -2 * C 0 {1,S} {3,S} {4,S} {5,S} -3 R!H 0 {2,S} -4 H 0 {2,S} -5 H 0 {2,S} - -ACCH -1 * Cb 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 R!H 0 {2,S} -4 R!H 0 {2,S} -5 H 0 {2,S} - -ACC*H -1 Cb 0 {2,S} -2 * C 0 {1,S} {3,S} {4,S} {5,S} -3 R!H 0 {2,S} -4 R!H 0 {2,S} -5 H 0 {2,S} - -OssH -1 * Os 0 {2,S} -2 H 0 {1,S} - -CH3OH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Os 0 {1,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} - -CH3O*H -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 * Os 0 {1,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} - -H2O -1 * Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -ACOH -1 * Cb 0 {2,S} -2 Os 0 {1,S} {3,S} -3 H 0 {2,S} - -ACO*H -1 Cb 0 {2,S} -2 * Os 0 {1,S} {3,S} -3 H 0 {2,S} - -CH3CO -1 * C 0 {2,S} {6,S} {4,S} {5,S} -2 C 0 {3,D} {1,S} -3 Od 0 {2,D} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {1,S} - -CH3C*O -1 C 0 {2,S} {6,S} {4,S} {5,S} -2 * C 0 {3,D} {1,S} -3 Od 0 {2,D} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {1,S} - -CH3CO* -1 C 0 {2,S} {6,S} {4,S} {5,S} -2 C 0 {3,D} {1,S} -3 * Od 0 {2,D} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {1,S} - -CH2CO -1 * C 0 {2,S} {4,S} {5,S} {6,S} -2 C 0 {3,D} {1,S} -3 Od 0 {2,D} -4 R!H 0 {1,S} -5 H 0 {1,S} -6 H 0 {1,S} - -CH2C*O -1 C 0 {2,S} {4,S} {5,S} {6,S} -2 * C 0 {3,D} {1,S} -3 Od 0 {2,D} -4 R!H 0 {1,S} -5 H 0 {1,S} -6 H 0 {1,S} - -CH2CO* -1 C 0 {2,S} {4,S} {5,S} {6,S} -2 C 0 {3,D} {1,S} -3 * Od 0 {2,D} -4 R!H 0 {1,S} -5 H 0 {1,S} -6 H 0 {1,S} - -CHO -1 * C 0 {2,D} {3,S} {4,S} -2 Od 0 {1,D} -3 R!H 0 {1,S} -4 H 0 {1,S} - -CHO* -1 C 0 {2,D} {3,S} {4,S} -2 * Od 0 {1,D} -3 R!H 0 {1,S} -4 H 0 {1,S} - -CH3COO -1 * C 0 {2,S} {5,S} {6,S} {7,S} -2 C 0 {1,S} {3,D} {4,S} -3 Od 0 {2,D} -4 Os 0 {2,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH3C*OO -1 C 0 {2,S} {5,S} {6,S} {7,S} -2 * C 0 {1,S} {3,D} {4,S} -3 Od 0 {2,D} -4 Os 0 {2,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH3CO*O -1 C 0 {2,S} {5,S} {6,S} {7,S} -2 C 0 {1,S} {3,D} {4,S} -3 * Od 0 {2,D} -4 Os 0 {2,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH3COO* -1 C 0 {2,S} {5,S} {6,S} {7,S} -2 C 0 {1,S} {3,D} {4,S} -3 Od 0 {2,D} -4 * Os 0 {2,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH2COO -1 * C 0 {2,S} {5,S} {6,S} {7,S} -2 C 0 {1,S} {3,D} {4,S} -3 Od 0 {2,D} -4 Os 0 {2,S} -5 R!H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH2C*OO -1 C 0 {2,S} {5,S} {6,S} {7,S} -2 * C 0 {1,S} {3,D} {4,S} -3 Od 0 {2,D} -4 Os 0 {2,S} -5 R!H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH2CO*O -1 C 0 {2,S} {5,S} {6,S} {7,S} -2 C 0 {1,S} {3,D} {4,S} -3 * Od 0 {2,D} -4 Os 0 {2,S} -5 R!H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH2COO* -1 C 0 {2,S} {5,S} {6,S} {7,S} -2 C 0 {1,S} {3,D} {4,S} -3 Od 0 {2,D} -4 * Os 0 {2,S} -5 R!H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} - - -HCOO -1 * C 0 {2,D} {3,S} -2 Od 0 {1,D} -3 Os 0 {1,S} -4 H 0 {1,S} - -HCO*O -1 C 0 {2,D} {3,S} -2 * Od 0 {1,D} -3 Os 0 {1,S} -4 H 0 {1,S} - -HCOO* -1 C 0 {2,D} {3,S} -2 Od 0 {1,D} -3 * Os 0 {1,S} -4 H 0 {1,S} - -CH3O -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Os 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -CH3O* -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 * Os 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -CH2O -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Os 0 {1,S} -3 R!H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -CH2O* -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 * Os 0 {1,S} -3 R!H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -CH-O -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Os 0 {1,S} -3 R!H 0 {1,S} -4 R!H 0 {1,S} -5 H 0 {1,S} - -CH-O* -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 * Os 0 {1,S} -3 R!H 0 {1,S} -4 R!H 0 {1,S} -5 H 0 {1,S} - -COOH -1 * C 0 {2,D} -2 Od 0 {1,D} -3 Os 0 {1,S} {4,S} -4 H 0 {3,S} - -CO*OH -1 C 0 {2,D} -2 * Od 0 {1,D} -3 Os 0 {1,S} {4,S} -4 H 0 {3,S} - -COO*H -1 C 0 {2,D} -2 Od 0 {1,D} -3 * Os 0 {1,S} {4,S} -4 H 0 {3,S} - -HCOOH -1 * C 0 {2,D} {5,S} -2 Od 0 {1,D} -3 Os 0 {1,S} {4,S} -4 H 0 {3,S} -5 H 0 {1,S} - -HCO*OH -1 C 0 {2,D} {5,S} -2 * Od 0 {1,D} -3 Os 0 {1,S} {4,S} -4 H 0 {3,S} -5 H 0 {1,S} - -HCOO*H -1 C 0 {2,D} {5,S} -2 Od 0 {1,D} -3 * Os 0 {1,S} {4,S} -4 H 0 {3,S} -5 H 0 {1,S} - -CtHCt -1 * Ct 0 {2,T} {3,S} -2 Ct 0 {1,T} -3 H 0 {1,S} - -CtCt -1 * Ct 0 {2,T} -2 Ct 0 {1,T} - -CH2OCH2 -1 * C 0 {3,S} {2,S} {4,S} {5,S} -2 C 0 {3,S} {1,S} {6,S} {7,S} -3 Os 0 {1,S} {2,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 H 0 {2,S} - -CH2OC*H2 -1 C 0 {3,S} {2,S} {4,S} {5,S} -2 * C 0 {3,S} {1,S} {6,S} {7,S} -3 Os 0 {1,S} {2,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 H 0 {2,S} - -CH2O*CH2 -1 C 0 {3,S} {2,S} {4,S} {5,S} -2 C 0 {3,S} {1,S} {6,S} {7,S} -3 * Os 0 {1,S} {2,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 H 0 {2,S} - -CH2OC -1 * C 0 {3,S} {2,S} {6,S} {7,S} -2 C 0 {3,S} {1,S} {4,S} {5,S} -3 Os 0 {1,S} {2,S} -4 R!H 0 {2,S} -5 R!H 0 {2,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH2OC* -1 C 0 {3,S} {2,S} {6,S} {7,S} -2 * C 0 {3,S} {1,S} {4,S} {5,S} -3 Os 0 {1,S} {2,S} -4 R!H 0 {2,S} -5 R!H 0 {2,S} -6 H 0 {1,S} -7 H 0 {1,S} - - -CH2O*C -1 C 0 {3,S} {2,S} {6,S} {7,S} -2 C 0 {3,S} {1,S} {4,S} {5,S} -3 * Os 0 {1,S} {2,S} -4 R!H 0 {2,S} -5 R!H 0 {2,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH2OCH -1 * C 0 {3,S} {2,S} {6,S} {7,S} -2 C 0 {3,S} {1,S} {4,S} {5,S} -3 Os 0 {1,S} {2,S} -4 R!H 0 {2,S} -5 H 0 {2,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH2O*CH -1 C 0 {3,S} {2,S} {6,S} {7,S} -2 C 0 {3,S} {1,S} {4,S} {5,S} -3 * Os 0 {1,S} {2,S} -4 R!H 0 {2,S} -5 H 0 {2,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH2OC*H -1 C 0 {3,S} {2,S} {6,S} {7,S} -2 * C 0 {3,S} {1,S} {4,S} {5,S} -3 Os 0 {1,S} {2,S} -4 R!H 0 {2,S} -5 H 0 {2,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CHOC*H -1 C 0 {3,S} {2,S} {4,S} {6,S} -2 * C 0 {3,S} {1,S} {5,S} {7,S} -3 Os 0 {1,S} {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 H 0 {1,S} -7 H 0 {2,S} - -CHO*CH -1 C 0 {3,S} {2,S} {4,S} {6,S} -2 C 0 {3,S} {1,S} {5,S} {7,S} -3 * Os 0 {1,S} {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 H 0 {1,S} -7 H 0 {2,S} - -CHOCH -1 * C 0 {3,S} {2,S} {4,S} {6,S} -2 C 0 {3,S} {1,S} {5,S} {7,S} -3 Os 0 {1,S} {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 H 0 {1,S} -7 H 0 {2,S} - -CHOC -1 * C 0 {3,S} {2,S} {4,S} {7,S} -2 C 0 {3,S} {1,S} {5,S} {6,S} -3 Os 0 {1,S} {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 R!H 0 {2,S} -7 H 0 {1,S} - -CHOC* -1 C 0 {3,S} {2,S} {4,S} {7,S} -2 * C 0 {3,S} {1,S} {5,S} {6,S} -3 Os 0 {1,S} {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 R!H 0 {2,S} -7 H 0 {1,S} - -CHO*C -1 C 0 {3,S} {2,S} {4,S} {7,S} -2 C 0 {3,S} {1,S} {5,S} {6,S} -3 * Os 0 {1,S} {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 R!H 0 {2,S} -7 H 0 {1,S} - - -COC -1 * C 0 {3,S} {2,S} {4,S} {7,S} -2 C 0 {3,S} {1,S} {5,S} {6,S} -3 Os 0 {1,S} {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 R!H 0 {2,S} -7 R!H 0 {1,S} - -CO*C -1 C 0 {3,S} {2,S} {4,S} {7,S} -2 C 0 {3,S} {1,S} {5,S} {6,S} -3 * Os 0 {1,S} {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 R!H 0 {2,S} -7 R!H 0 {1,S} - -COC* -1 C 0 {3,S} {2,S} {4,S} {7,S} -2 * C 0 {3,S} {1,S} {5,S} {6,S} -3 Os 0 {1,S} {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 R!H 0 {2,S} -7 R!H 0 {1,S} - -O=CO*C=O -1 C 0 {3,S} {2,S} {4,D} -2 C 0 {3,S} {1,S} {5,D} -3 * Os 0 {1,S} {2,S} -4 Od 0 {1,D} -5 Od 0 {2,D} - -O*=COC=O -1 C 0 {3,S} {2,S} {4,D} -2 C 0 {3,S} {1,S} {5,D} -3 Os 0 {1,S} {2,S} -4 * Od 0 {1,D} -5 Od 0 {2,D} - -O=COC*=O -1 C 0 {3,S} {2,S} {4,D} -2 * C 0 {3,S} {1,S} {5,D} -3 Os 0 {1,S} {2,S} -4 Od 0 {1,D} -5 Od 0 {2,D} - -O=COC=O* -1 C 0 {3,S} {2,S} {4,D} -2 C 0 {3,S} {1,S} {5,D} -3 Os 0 {1,S} {2,S} -4 Od 0 {1,D} -5 * Od 0 {2,D} - -O=COC=O -1 * C 0 {3,S} {2,S} {4,D} -2 C 0 {3,S} {1,S} {5,D} -3 Os 0 {1,S} {2,S} -4 Od 0 {1,D} -5 Od 0 {2,D} - -//ring -//1 * C 0 {2,D} {6,S} -//2 C 0 {1,D} {3,S} -//3 C 0 {2,S} {4,D} -//4 C 0 {3,D} {5,S} -//5 C 0 {4,S} {6,D} -//6 C 0 {1,S} {5,D} - diff --git a/output/RMG_database/thermo_groups/Unifac_Library.txt b/output/RMG_database/thermo_groups/Unifac_Library.txt deleted file mode 100644 index 7a4eeabe74..0000000000 --- a/output/RMG_database/thermo_groups/Unifac_Library.txt +++ /dev/null @@ -1,107 +0,0 @@ -//////////////////////////////////////////////////////////////////////////////// -// Group Additivity Library for estimating species radii -// Amrit Jalan, April 2009 -// Taken from file Ufnrqm.dta- Sandler's BASIC code 1992 -// Only C,H and O groups included -//////////////////////////////////////////////////////////////////////////////// - -// Syntax: Following Sandler, we use AC for Aromatic Carbon, -// rather than Cb as used elsewhere in RMG - -//# Group Ri Qi - -1 CssH3 .9011 .848 -2 CssH2 .6744 .54 -3 CssH .4469 .228 -4 Css-noH .2195 0 -5 CH2=CH 1.3454 1.176 -6 CH=CH 0.55835 0.4335 // divided by two because we match both ends -7 CH2=C 1.1173 .988 -8 CH=C .8886 .676 -9 C=C .33025 .2425 // divided by two because we match both ends -10 ACH .5313 .4 -11 ACfused .3652 .12 -12 ACCH3 1.2663 .968 -13 ACCH2 1.0396 .66 -14 ACCH .8121 .348 -15 OssH 1 1.2 -16 CH3OH 1.4311 1.432 -17 H2O .92 1.4 -18 ACOH .8952 .68 -19 CH3CO 1.6724 1.488 -20 CH2CO 1.4457 1.18 -21 CHO .998 .948 -22 CH3COO 1.9031 1.728 -23 CH2COO 1.6764 1.42 -24 HCOO 1.242 1.188 -25 CH3O 1.145 1.088 -26 CH2O .9183 .78 -27 CH-O .6908 .468 -28 COOH 1.3013 1.224 -29 HCOOH 1.52 1.532 -30 CtHCt 1.292 1.088 -31 CtCt 0.53065 0.392 // divided by two because we match both ends -32 CH2OCH2 0.7963 0.66 // divided by two because we match both carbons -33 CH2OCH 1.3652 1.008 -34 CH2OC 1.1378 0.780 -35 CHOCH 0.5689 0.348 // divided by two because we match both carbons -36 CHOC 0.9103 0.468 -37 COC 0.34145 0.120 // divided by two because we match both carbons -38 O=COC=O 1.7732 1.520 -39 CH2=C*H 0 0 -40 ACfused2 .3652 .12 // Set equal to ACfused -41 CH2=C* 0 0 -42 CH=C* 0 0 -44 ACC*H3 0 0 -45 ACC*H2 0 0 -46 ACC*H 0 0 -47 CH3O*H 0 0 -48 ACO*H 0 0 -49 CH3C*O 0 0 -50 CH3CO* 0 0 -51 CH2C*O 0 0 -52 CH2CO* 0 0 -53 CHO* 0 0 -54 CH3C*OO 0 0 -55 CH3CO*O 0 0 -56 CH3COO* 0 0 -57 CH2C*OO 0 0 -58 CH2CO*O 0 0 -59 CH2COO* 0 0 -60 HCO*O 0 0 -61 HCOO* 0 0 -62 CH3O* 0 0 -63 CH2O* 0 0 -64 CH-O* 0 0 -65 CO*OH 0 0 -66 COO*H 0 0 -67 HCO*OH 0 0 -68 HCOO*H 0 0 -69 CH2OC*H2 0 0 -70 CH2O*CH2 0 0 -71 CH2O*C 0 0 -72 CH2OC* 0 0 -73 CH2O*CH 0 0 -74 CH2OC*H 0 0 -75 CHOC*H 0 0 -76 CHO*CH 0 0 -77 CHOC* 0 0 -78 CHO*C 0 0 -79 CO*C 0 0 -80 COC* 0 0 -81 O*=COC=O 0 0 -82 O=CO*C=O 0 0 -83 O=COC*=O 0 0 -84 O=COC=O* 0 0 -85 Oss 0.41 1000 // Q value arbitrary. Note that RMG is not currently meant to use the Q values in any calculations -86 Od 0.324 1000 // Q value arbitrary - -88 CH2=CH2 1.315 1000 // Q value arbitrary -89 CH2=Cdd 1.1173 .988 // Set equal to CH2=C -90 CH=Cdd .8886 .676 // Set equal to CH=C -91 C=Cdd .6605 .485 // Set equal to C=C -92 CH2=Cdd* 0 0 -93 CH=Cdd* 0 0 -94 C=Cdd* 0 0 -95 Cdd=Cdd .33025 .2425 // Set equal to C=C - diff --git a/output/RMG_database/thermo_groups/Unifac_Tree.txt b/output/RMG_database/thermo_groups/Unifac_Tree.txt deleted file mode 100644 index 313d882de9..0000000000 --- a/output/RMG_database/thermo_groups/Unifac_Tree.txt +++ /dev/null @@ -1,157 +0,0 @@ -///////////////////////////////////////////////////////// -// Group Additivity Tree for estimating species radii -// Amrit Jalan, April 2009 -// Taken from file Ufnrqm.dta- Sandler's BASIC code 1992 -// Only C,H and O groups included -///////////////////////////////////////////////////////// - -// Syntax: Following Sandler, we use AC for Aromatic Carbon, -// rather than Cb as used elsewhere in RMG - -L0: R - - L1: C - - L2: Css - - L3: CssH3 - //L4: ACC*H3 - L4: CH3CO - L5: CH3COO - L4: CH3O - L5: CH3OH - - L3: CssH2 - - L4: CH2CO - L5: CH2COO - - L4: CH2O - L5: CH2CO - L6: CH2COO - L5: CH2OCH2 - L5: CH2OCH - L5: CH2OC - - //L4: ACC*H2 - - L3: CssH - - //L4: ACC*H - L4: CH-O - L5: CHOCH - L5: CHOC - L4: CH2OC*H - - L3: Css-noH - - L4: CH2OC* - L4: CHOC* - L4: COC - L4: CH2C*OO - - - L2: Cb - - L3: ACH - L3: ACCH3 - L3: ACCH2 - L3: ACCH - L3: ACOH - - L2: ACfused // (elsewhere known as Cbf) - L2: ACfused2 - - L2: Cds - L3: CO - L4: CH3C*O - L5: CH3C*OO - L4: CH2C*O - L5: CH2C*OO - - L4: CHO - L5: CH3C*O // Corresponds to acetaldehyde - L5: CH2C*O - L5: O=COC=O - L5: HCOO - - L4: COOH - L5: HCOOH - - L3: CH2=CH2 - L3: CH2=C - L3: CH=C - L3: C=C - L3: CH2=C*H - L3: CH2=C* - L3: CH=C* - L3: CH2=CH - L3: CH=CH - L3: CH2=Cdd - L3: CH=Cdd - L3: C=Cdd - - L2: Cdd - L3: CH2=Cdd* - L3: CH=Cdd* - L3: C=Cdd* - L3: Cdd=Cdd - - L2: Ct - - L3: CtCt - L3: CtHCt - - L1: O - - L2: Oss - - L3: OssH - - L4: CH3O*H - //L4: ACO*H - L4: COO*H - L5: HCOO*H - L5: CH3COO* - L5: CH2COO* - L3: HCOO* - L3: CH3O* - L3: CH2O* - L4: OssH - L4: CH2O*CH2 - L4: CH2O*C - L4: CH2O*CH - L3: CH-O* - L4: CHO*CH - L4: CHO*C - L3: CO*C - L3: O=CO*C=O - - - L2: Od - L3: CHO* - L4: CH3CO* - L5: CH3CO*O - L4: CH2CO* - L5: CH2CO*O - - L3: CH3CO* - L4: CH3CO*O - L3: CH2CO* - L4: CH2CO*O - L3: HCO*O - L4: HCO*OH - L3: CO*OH - L4: HCO*OH - L3: O*=COC=O - - - -// AROMATIC GROUPS -// Not implemented yet should be implemented through ring corrections - - L3: ACH - L3: ACCH3 - L3: ACCH2 - L3: ACCH - L3: ACOH \ No newline at end of file diff --git a/output/RMG_database/thermo_groups/thermal_web.txt b/output/RMG_database/thermo_groups/thermal_web.txt deleted file mode 100644 index 5396b033e2..0000000000 --- a/output/RMG_database/thermo_groups/thermal_web.txt +++ /dev/null @@ -1,3 +0,0 @@ -http://webbook.nist.gov/chemistry/ -http://cea.grc.nasa.gov/index.html -http://www.me.berkeley.edu/gri_mech/data/thermo_table.html \ No newline at end of file diff --git a/output/RMG_database/thermo_libraries/CBS_QB3_1dHR/Dictionary.txt b/output/RMG_database/thermo_libraries/CBS_QB3_1dHR/Dictionary.txt deleted file mode 100644 index 395c6825e3..0000000000 --- a/output/RMG_database/thermo_libraries/CBS_QB3_1dHR/Dictionary.txt +++ /dev/null @@ -1,316 +0,0 @@ -sBuOH -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {2,S} - -CH2CH[OH]C2H5 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {2,S} - -CH3C[OH]C2H5 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {2,S} - -CH3CH[O]C2H5 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} -5 O 1 {2,S} - -CH3CH[OH]CHCH3 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 1 {2,S} {4,S} -4 C 0 {3,S} -5 O 0 {2,S} - -CH3CH[OH]CH2CH2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} -5 O 0 {2,S} - -HOCHC2H5 -1 O 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -HOCHCH3 -1 O 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} - -CH3CH[OH]CH2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 1 {2,S} -4 O 0 {2,S} - -tBuOH -1 O 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 C 0 {2,S} -4 C 0 {2,S} -5 C 0 {2,S} - -OC[CH3]3 -1 O 1 {2,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 C 0 {2,S} -4 C 0 {2,S} -5 C 0 {2,S} - -HOC[CH2][CH3]2 -1 O 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 C 1 {2,S} -4 C 0 {2,S} -5 C 0 {2,S} - -tC4H9 -1 C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} - -HOC[CH3]2 -1 O 0 {2,S} -2 C 1 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} - -C3H5OJ(17) -1 C 0 {2,S} -2 C 1 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 O 0 {3,S} - -C4H7O_1_2 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} {5,S} -5 O 0 {4,S} - -C4H7O-13 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 1 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} - -C4H7OJ(13) -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - -CH2CHCCHOH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 1 {2,S} {4,D} -4 C 0 {3,D} {5,S} -5 O 0 {4,S} - -CH3CHCHCO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 1 {3,S} {5,D} -5 O 0 {4,D} - -CHCCHCHOH -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} {5,S} -5 O 0 {4,S} - -iC4H5OJ(14) -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {5,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} -5 C 0 {2,S} - -iC4H5OJ(15) -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {5,S} -3 C 0 {4,D} {2,S} -4 O 0 {3,D} -5 C 1 {2,S} - -iC4H7OJ(17) -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} -5 C 1 {2,S} - -iC4H7OJ(48) -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {4,D} {2,S} -4 O 0 {3,D} -5 C 0 {2,S} - -iC4H7OJ(51) -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} -5 C 0 {2,S} - -tSPC(1286) -1 O 0 {2,S} {6,S} -2 O 1 {1,S} -3 O 0 {6,D} -4 C 0 {5,D} {8,S} {9,S} -5 C 0 {4,D} {6,S} {7,S} -6 C 0 {3,D} {5,S} {1,S} -7 H 0 {5,S} -8 H 0 {4,S} -9 H 0 {4,S} - -tSPC(1553) -1 O 1 {5,S} -2 O 0 {5,D} -3 C 0 {4,D} {7,S} {8,S} -4 C 0 {3,D} {5,S} {6,S} -5 C 0 {2,D} {4,S} {1,S} -6 H 0 {4,S} -7 H 0 {3,S} -8 H 0 {3,S} - -tSPC(343) -1 O 1 {6,S} -2 O 0 {5,D} -3 C 0 {4,D} {7,S} {8,S} -4 C 0 {3,D} {5,S} {6,S} -5 C 0 {2,D} {4,S} {9,S} -6 C 0 {4,S} {10,S} {11,S} {1,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {5,S} -10 H 0 {6,S} -11 H 0 {6,S} - -C4H7OJ(9) -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} {5,S} -5 O 0 {4,S} - -fulvalene -1 C 0 {2,S} {5,S} {6,D} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} {5,D} -5 C 0 {4,D} {1,S} -6 C 0 {7,S} {10,S} {1,D} -7 C 0 {6,S} {8,D} -8 C 0 {7,D} {9,S} -9 C 0 {8,S} {10,D} -10 C 0 {9,D} {6,S} - -C5H4C5H5 -1 C 1 {2,S} {5,S} {6,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} {5,D} -5 C 0 {4,D} {1,S} -6 C 0 {7,S} {10,S} {1,S} -7 C 0 {6,S} {8,D} -8 C 0 {7,D} {9,S} -9 C 0 {8,S} {10,D} -10 C 0 {9,D} {6,S} - -nC4H10O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} - -C4H9O-1 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} - -C4H9O-2 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} - -C4H9O-3 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 1 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} - -C4H9O-4 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} {5,S} -5 O 0 {4,S} - -C4H9O-5 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 1 {4,S} - -iBuOH -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} -5 C 0 {2,S} - -C4H9Oi1 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} -5 C 0 {2,S} - -C4H9Oi2 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} -5 C 0 {2,S} - -C4H9Oi3 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 1 {2,S} {4,S} -4 O 0 {3,S} -5 C 0 {2,S} - -C4H9Oi4 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,S} -4 O 1 {3,S} -5 C 0 {2,S} diff --git a/output/RMG_database/thermo_libraries/CBS_QB3_1dHR/Library.txt b/output/RMG_database/thermo_libraries/CBS_QB3_1dHR/Library.txt deleted file mode 100644 index eaf3b00565..0000000000 --- a/output/RMG_database/thermo_libraries/CBS_QB3_1dHR/Library.txt +++ /dev/null @@ -1,68 +0,0 @@ -// Reference: -// Accurate high-temperature reaction networks for alternative fuels: Butanol isomers -// Kevin M. Van Geem, Steven P. Pyl, and Guy B. Marin -// Michael R. Harper, William H. Green -// Ind. Eng. Chem. Res. 2010 49 (21) 10399-10420 -// dx.doi.org/10.1021/ie1005349 -// Uncertainties are MRH best-guess -sBuOH -70.51 83.05 28.21 34.50 40.21 45.08 52.80 58.62 67.90 2.0 1.0 1.0 -CH2CH[OH]C2H5 -20.29 85.12 28.32 34.19 39.30 43.58 50.27 55.31 63.42 2.0 1.0 1.0 -CH3C[OH]C2H5 -28.11 85.48 27.09 32.67 37.82 42.25 49.33 54.67 63.16 2.0 1.0 1.0 -CH3CH[O]C2H5 -16.68 81.26 27.15 33.15 38.50 43.06 50.30 55.76 64.36 2.0 1.0 1.0 -CH3CH[OH]CHCH3 -22.93 85.73 29.60 34.49 38.99 42.99 49.61 54.76 63.12 2.0 1.0 1.0 -CH3CH[OH]CH2CH2 -21.44 85.19 28.95 34.38 39.34 43.58 50.30 55.39 63.54 2.0 1.0 1.0 -HOCHC2H5 -18.03 77.53 20.59 25.27 29.45 32.98 38.48 42.60 49.12 2.0 1.0 1.0 -HOCHCH3 -13.27 68.07 15.60 18.61 21.40 23.78 27.55 30.37 34.91 2.0 1.0 1.0 -CH3CH[OH]CH2 -15.05 76.17 22.88 27.27 31.04 34.18 39.13 42.92 49.13 2.0 1.0 1.0 -tBuOH -75.87 78.30 28.26 35.02 40.83 45.65 53.18 58.85 67.96 2.0 1.0 1.0 -OC[CH3]3 -21.12 76.85 27.25 33.57 38.95 43.42 50.47 55.80 64.28 2.0 1.0 1.0 -HOC[CH2][CH3]2 -24.74 81.50 29.21 35.23 40.22 44.31 50.69 55.53 63.46 2.0 1.0 1.0 -tC4H9 12.48 76.49 21.47 26.48 31.51 36.05 43.52 49.21 58.13 2.0 1.0 1.0 -HOC[CH3]2 -23.50 74.70 21.59 25.81 29.71 33.10 38.53 42.63 49.16 2.0 1.0 1.0 - -// Reference: -// High-temperature oxidation chemistry of n-butanol - Experiments in low-pressure premixed flames and detailed kinetic modeling -// Nils Hansen, Michael R. Harper, William H. Green -// Phys. Chem. Chem. Phys. (under review as of 27-Jun-2011) -// Uncertainties are MRH best-guess -C3H5OJ(17) 22.25 72.17 19.21 23.32 26.93 29.77 33.8 36.58 40.96 2.0 1.0 1.0 -C4H7O_1_2 -8.11 80.56 25.48 30.4 34.84 38.6 44.45 48.8 55.64 2.0 1.0 1.0 -C4H7O-13 -2.41 79.66 27.06 31.99 36.04 39.42 44.8 48.92 55.62 2.0 1.0 1.0 -C4H7OJ(13) -2.61 86.64 23.05 27.77 32.28 36.23 42.54 47.26 54.54 2.0 1.0 1.0 -CH2CHCCHOH 38.05 76.08 23.22 28.44 32.51 35.55 39.78 42.75 47.48 2.0 1.0 1.0 -CH3CHCHCO 14.06 75.12 22.13 26.48 30.11 33.1 37.72 41.11 46.34 2.0 1.0 1.0 -CHCCHCHOH 28.19 73.91 22.23 26.36 29.54 32.03 35.69 38.3 42.41 2.0 1.0 1.0 -iC4H5OJ(14) 14.08 76.7 22.34 26.71 30.14 32.93 37.32 40.67 46.00 2.0 1.0 1.0 -iC4H5OJ(15) 12.77 74.84 22.08 26.8 30.77 34.04 39.05 42.66 48.02 2.0 1.0 1.0 -iC4H7OJ(17) -1.97 78.93 25.6 30.87 35.26 38.89 44.56 48.86 55.75 2.0 1.0 1.0 -iC4H7OJ(48) -0.88 82.81 25.44 29.81 33.87 37.43 43.22 47.64 54.64 2.0 1.0 1.0 -iC4H7OJ(51) -14.49 80.22 23.27 27.89 32.25 36.12 42.42 47.16 54.56 2.0 1.0 1.0 -tSPC(1286) -11.00 79.85 22.68 26.88 30.42 33.26 37.32 39.96 43.51 2.0 1.0 1.0 -tSPC(1553) -19.27 73.08 18.28 22.22 25.51 28.12 31.86 34.37 37.97 2.0 1.0 1.0 -tSPC(343) -6.43 80.94 25.61 31.29 35.94 39.68 45.17 48.86 53.87 2.0 1.0 1.0 - -// Reference: -// Comprehensive reaction mechanism for n-butanol pyrolysis and combustion -// Michael R. Harper, Kevin M. Van Geem, Steven P. Pyl, Guy B. Marin, William H. Green -// Combust. Flame 158 (1) 2011 16-41 -// dx.doi.org/10.1016/j.combustflame.2010.06.002 -nC4H10O -66.09 85.90 27.32 33.59 39.43 44.44 52.40 58.38 67.83 2.0 1.0 1.0 -C4H9O-1 -16.27 88.99 26.95 32.82 38.15 42.65 49.68 54.93 63.28 2.0 1.0 1.0 -C4H9O-2 -19.70 88.40 27.35 32.64 37.79 42.30 49.47 54.84 63.30 2.0 1.0 1.0 -C4H9O-3 -18.50 88.73 28.25 33.57 38.32 42.48 49.29 54.55 63.04 2.0 1.0 1.0 -C4H9O-4 -23.13 86.30 26.57 32.71 38.13 42.67 49.73 54.99 63.34 2.0 1.0 1.0 -C4H9O-5 -13.43 82.96 26.61 32.68 38.16 42.84 50.26 55.81 64.46 2.0 1.0 1.0 - -// Reference: -// Unpublished work by MRH -iBuOH -68.34 83.38 27.21 33.74 39.68 44.72 52.64 58.55 67.90 2.0 1.0 1.0 -C4H9Oi1 -18.28 86.11 28.03 33.68 38.81 43.16 49.99 55.12 63.33 2.0 1.0 1.0 -C4H9Oi2 -22.94 84.64 27.11 32.27 37.18 41.54 48.70 54.18 62.91 2.0 1.0 1.0 -C4H9Oi3 -24.24 84.93 27.12 33.12 38.42 42.88 49.87 55.11 63.43 2.0 1.0 1.0 -C4H9Oi4 -15.78 80.19 26.32 32.81 38.45 43.15 50.50 55.97 64.52 2.0 1.0 1.0 -C4H7OJ(9) 9.68 81.00 26.26 31.38 35.64 39.11 44.43 48.41 54.85 2.0 1.0 1.0 -fulvalene 90.89 84.60 33.71 44.95 54.19 61.46 71.89 78.98 89.33 2.0 1.0 1.0 -C5H4C5H5 100.63 93.09 36.24 47.77 57.22 64.69 75.48 82.89 93.75 2.0 1.0 1.0 -//C4H7-14 -//C4H7OJ(79) -//C4H6Oi-13 diff --git a/output/RMG_database/thermo_libraries/DFT_QCI_thermo/Dictionary.txt b/output/RMG_database/thermo_libraries/DFT_QCI_thermo/Dictionary.txt deleted file mode 100644 index f05a671388..0000000000 --- a/output/RMG_database/thermo_libraries/DFT_QCI_thermo/Dictionary.txt +++ /dev/null @@ -1,1699 +0,0 @@ - -//H2 -H2 -1 H 0 {2,S} -2 H 0 {1,S} - - -//CH radical -CH -1 C 3 - - -//CH2 singlet -CH2(S) -1 C 2S - - -//CH2 triplet -CH2(T) -1 C 2T - - -//methyl radical -CH3 -1 C 1 - - -//methane -CH4 -1 C 0 - - -//hydroxyl radical -OH -1 O 1 - - -//H2O -H2O -1 O 0 - - -//carbon monoxide -CO -1 C 2T {2,D} -2 O 0 {1,D} - - -//formyl radical -HCO -1 C 1 {2,D} -2 O 0 {1,D} - - -//formaldehyde -CH2O -1 C 0 {2,D} -2 O 0 {1,D} - - - -//hydroxymethylene singlet -HCOH(S) -1 C 2S {2,S} -2 O 0 {1,S} - - - -//hydroxymethylene triplet -HCOH(T) -1 C 2T {2,S} -2 O 0 {1,S} - - - -//methoxy radical -CH3O -1 C 0 {2,S} -2 O 1 {1,S} - - -//hydroxymethyl radical -CH2OH -1 C 1 {2,S} -2 O 0 {1,S} - - -//methanol -CH3OH -1 C 0 {2,S} -2 O 0 {1,S} - -//O2 -O2 -1 O 1 {2,S} -2 O 1 {1,S} - - -//hydroperoxyl radical -HO2 -1 O 1 {2,S} -2 O 0 {1,S} - - -//hydrogen-peroxide -HOOH -1 O 0 {2,S} -2 O 0 {1,S} - - -//carbon dioxide -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - - -//hydroxycarbonyl radical -HOCO -1 C 1 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} - -//formyloxy radical -formyloxy -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 1 {1,S} - - -//formic acid -formic_acid -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} - - -//methylperoxy radical -CH3OO -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 1 {2,S} - - -//hydroxymethoxy radical -HOCH2O -1 C 0 {2,S} {3,S} -2 O 0 {1,S} -3 O 1 {1,S} - - -//methyl-hydroperoxide -CH3OOH -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} - - -//3-dioxiranone -cCO3 -1 C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 O 0 {1,S} {3,S} - - -//formylperoxy radical -formylperoxy -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 O 1 {3,S} - - -//formyl-hydroperoxide -OCHOOH -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 O 0 {3,S} - - -//hydroperoxy-methoxy radical -HOOCH2O -1 O 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - - -//hydroxymethyl-peroxy radical -HOCH2OO -1 C 0 {2,S} {3,S} -2 O 0 {1,S} -3 O 0 {1,S} {4,S} -4 O 1 {3,S} - - -//hydroperoxy-methanol -HOOCH2OH -1 O 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - - -//C2 singlet -//C2(S) -//1 C 0 {2,Q} -//2 C 0 {1,Q} - - -//C2 triplet -C2(T) -1 C 1 {2,T} -2 C 1 {1,T} - - -//ethynyl radical -HC2 -1 C 1 {2,T} -2 C 0 {1,T} - - -//acetylene ethyne -C2H2 -1 C 0 {2,T} -2 C 0 {1,T} - - -//acetylene triplet -C2H2(T) -1 C 1 {2,D} -2 C 1 {1,D} - - -//vinylidene singlet -H2CC(S) -1 C 2S {2,D} -2 C 0 {1,D} - - -//vinylidene triplet -H2CC(T) -1 C 2T {2,D} -2 C 0 {1,D} - - -//vinyl radical -C2H3 -1 C 1 {2,D} -2 C 0 {1,D} - - -//ethylidyne radical -CCH3 -1 C 1 {2,T} -2 C 0 {1,T} - - -//ethene -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - - -//ethene triplet -C2H4(T) -1 C 1 {2,S} -2 C 1 {1,S} - - -//ethylidene singlet -CHCH3(S) -1 C 2S {2,S} -2 C 0 {1,S} - - -//ethylidene triplet -CHCH3(T) -1 C 2T {2,S} -2 C 0 {1,S} - - -//ethyl radical -C2H5 -1 C 1 {2,S} -2 C 0 {1,S} - - -//ethane -C2H6 -1 C 0 {2,S} -2 C 0 {1,S} - - -//dicarbon monoxide singlet -C2O(S) -1 C 2S {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - - -//dicarbon monoxide triplet -C2O(T) -1 C 2T {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - - -//kentyl radical -HCCO -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - - -//ethynol -ethynol -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 O 0 {2,S} - - -//ketene -ketene -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - - -//CHCHO -ketene(T) -1 C 1 {2,D} -2 C 0 {1,D} {3,S} -3 O 1 {2,S} - - -//oxirene -oxirene -1 C 0 {2,D} {3,S} -2 C 0 {1,D} {3,S} -3 O 0 {1,S} {2,S} - - -//oxiranyl radical -oxiranyl -1 C 1 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 O 0 {1,S} {2,S} - - -//2-hydroxy-vinyl radical -CHCHOH -1 C 1 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} - - -//1-hydroxy-vinyl radical -CH2COH -1 C 0 {2,D} -2 C 1 {1,D} {3,S} -3 O 0 {2,S} - - -//vinoxy radical -vinoxy -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - - -//acetyl radical -acetyl -1 C 1 {2,D} {3,S} -2 O 0 {1,D} -3 C 0 {1,S} - - -//oxirane ethylene-oxide -oxirane -1 C 0 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 O 0 {1,S} {2,S} - - -//ethenol vinyl alcohol -ethenol -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} - - -//acetaldehyde -CH3CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - - -//ethoxy radical -CH3CH2O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 1 {2,S} - - -//methoxy-methyl radical -CH3OCH2 -1 C 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} - - -//2-hydroxy-ethyl radical -CH2CH2OH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} - - -//1-hydroxy-ethyl radical -CH3CHOH -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 O 0 {2,S} - - -//ethanol -ethanol -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} - - -//dimethyl-ether -DME -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} - - -//ethenedial triplet -OCCO(T) -1 O 1 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} {4,S} -4 O 1 {3,S} - - -//1,2-dionyl-ethyl radical -OCHCO -1 O 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} - - -//1-hydroxyl-ketenyl radical -OCCOH -1 O 1 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} {4,S} -4 O 0 {3,S} - - -//glyoxal -glyoxal -1 O 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - - -//oxiranone aceto-lactone -oxiranone -1 O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} {4,S} -4 O 0 {2,S} {3,S} - - -//hydroxy-ketene -hydroxyketene -1 O 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,D} -4 O 0 {3,D} - - -//ethynediol -ethynediol -1 C 0 {2,T} {4,S} -2 C 0 {1,T} {3,S} -3 O 0 {2,S} -4 O 0 {1,S} - - -//vinylperoxy radical -CH2CHOO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} {4,S} -4 O 1 {3,S} - - -//2-hydroperoxyl-vinyl radical -CHCHOOH -1 C 1 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - - -//formyl-methoxy radical -OCH2CHO -1 O 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 O 1 {3,S} - - -//formyloxyl-methyl radical -CH2OCHO -1 C 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - - -//methoxyl-formyl radical -CH3OCO -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} - - -//oxiranyloxy radical -cC2H3O2 -1 O 1 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} {4,S} -4 O 0 {2,S} {3,S} - - -//acetyloxy radical -acetyloxy -1 C 0 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 O 1 {2,S} - - -//2-hydroperoxyl-vinyl radical -CH2COOH -1 C 1 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 O 0 {2,S} - - -//vinyl-hydroperoxide -CH2CHOOH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - - -//acetic acid -acetic_acid -1 C 0 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 O 0 {2,S} - - -//methyl-formate -methyl_formate -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - - -//cis-ethen-1,2-diol -HOCHCHOH -1 O 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 O 0 {3,S} - - -//hydroxy-acetaldehyde -HOCH2CHO -1 O 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - - -//ethylperoxy radical -CH3CH2OO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 1 {3,S} - - -//hydroperoxyl-ethyl radical -CH2CH2OOH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - - -//1,2-dihydroxyl-ethyl radical -HOCH2CHOH -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 1 {3,S} - - -//3-hydroxyl-ethoxy radical -HOCH2CH2O -1 O 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 1 {3,S} - - -//hydroxyl,methoxyl-methyl radical -CH3OCHOH -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 1 {2,S} {4,S} -4 O 0 {3,S} - - -//hydroxymethoxyl-methyl radical -HOCH2OCH2 -1 O 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 1 {3,S} - - -//methoxyl-methoxy radical -CH3OCH2O -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 1 {3,S} - - -//ethyl-hydroperoxide -CH3CH2OOH -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - - -//dimethyl-peroxide -CH3OOCH3 -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} - - -//ketenylperoxy radical -ketenylperoxy -1 C 0 {2,D} {4,S} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} -4 O 0 {1,S} {5,S} -5 O 1 {4,S} - - -//acetylperoxy radical -acetylperoxy -1 C 0 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 O 0 {2,S} {5,S} -5 O 1 {4,S} - - -//formylmethyl-peroxy radical -vinoxyperoxy -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 C 0 {1,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} - - -//hydroperoxyl-acetyl radical -hoo_acetyl -1 C 1 {2,D} {3,S} -2 O 0 {1,D} -3 C 0 {1,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - - -//hydroperoxyl-vinoxy radical -hoo_vinoxy -1 C 1 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 O 0 {2,D} -4 O 0 {2,S} {5,S} -5 O 0 {4,S} - - -//ethyl-hydroperoxide -CH3OOCH2O -1 C 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 1 {4,S} - - - -//2-hydroperoxyl-ethylperoxy radical -HOOCH2CH2OO -1 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - - -//propadienylidene singlet -H2CCC(S) -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 2S {2,D} - - -//HCCCH singlet -HCCCH(S) -1 C 1 {2,T} -2 C 0 {1,T} {3,S} -3 C 1 {2,S} - - -//propynylidene triplet -HCCCH(T) -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 2T {2,S} - - -//propargyl radical -C3H3 -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 1 {2,D} - - -//allene -allene -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} - - -//propyne -propyne -1 C 0 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} - - -//cyclopropene -cC3H4 -1 C 0 {2,S} {3,S} -2 C 0 {1,S} {3,D} -3 C 0 {1,S} {2,D} - - -//allyl radical -allyl -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 1 {2,S} - - -//cyclopropyl -cC3H5 -1 C 0 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 C 1 {1,S} {2,S} - - -//propen-2-yl (1-methyl-vinyl) radical -propen2yl -1 C 0 {2,S} -2 C 1 {1,S} {3,D} -3 C 0 {2,D} - - -//propen-1-yl (2-methyl-vinyl) radical -propen1yl -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 1 {2,D} - - -//cyclopropane -cC3H6 -1 C 0 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 C 0 {1,S} {2,S} - - -//propene -C3H6 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} - - -//propene triplet -C3H6(T) -1 C 1 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} - - -//n-propyl radical -npropyl -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} - - -//isopropyl radical -ipropyl -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} - - -//propane -C3H8 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} - - -//propynonyl radical -HCCCO -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} - - -//propynal -propynal -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - - -//propadienal -CH2CCO -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} {4,D} -4 O 0 {3,D} - - -//vinyl-formyl radical -CH2CHCO -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} - - -//1-formyl-vinyl radical -CH2CCHO -1 C 0 {2,D} -2 C 1 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - - -//2-formyl-vinyl radical -CHCHCHO -1 C 1 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - - -//acrolein -acrolein -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - - -//acrolein triplet -acrolein(T) -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 1 {2,S} {4,S} -4 O 1 {3,S} - - -//methyl-ketene -methylketene -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,D} -4 O 0 {3,D} - - -//oxetene -oxetene -1 O 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} -3 C 0 {1,S} {4,S} -4 C 0 {2,D} {3,S} - -//allyloxy radical -allyloxy -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 O 1 {3,S} - - -//propen-2-oxy radical -propen2oxy -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 O 1 {2,S} - - -//2-formyl-ethyl radical -CH2CH2CHO -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - - -//oxiranyl-methyl radical -oxiranylmethyl -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} {4,S} -4 O 0 {2,S} {3,S} - - -//vinoxyl-methyl radical -CH2OCHCH2 -1 C 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - - -//1-formyl-ethyl radical -CH3CHCHO -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - - -//propionyl radical -CH3CH2CO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 1 {2,S} {4,D} -4 O 0 {3,D} - - -//2-oxetanyl radical -oxetanyl2 -1 O 0 {2,S} {3,S} -2 C 1 {1,S} {4,S} -3 C 0 {1,S} {4,S} -4 C 0 {2,S} {3,S} - - -//3-oxetanyl radical -oxetanyl3 -1 O 0 {2,S} {3,S} -2 C 0 {1,S} {4,S} -3 C 0 {1,S} {4,S} -4 C 1 {2,S} {3,S} - - -//1-hydroxyl-allyl -hydroxyl1allyl -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 O 0 {3,S} - -//2-hydroxyl-allyl -hydroxyl2allyl -1 C 1 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 C 0 {2,D} -4 O 0 {2,S} - -//acetone -acetone -1 O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} - - -//propanal (propaldehyde) -propanal -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - - -//propen-1-ol -propen1ol -1 C 0 {2,D} {4,S} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} -4 O 0 {1,S} - - -//propen-2-ol -propen2ol -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} - - -//propylene-oxide -cC3H6O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} {4,S} -4 O 0 {2,S} {3,S} - - -//oxetane -oxetane -1 O 0 {2,S} {3,S} -2 C 0 {1,S} {4,S} -3 C 0 {1,S} {4,S} -4 C 0 {2,S} {3,S} - - -//allyl-alcohol -propen3ol -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} - - -//cyclopropanol -cyclopropanol -1 C 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} {3,S} -3 C 0 {1,S} {2,S} -4 O 0 {1,S} - - -//n-propyloxy radical -npropoxy -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 1 {3,S} - - - -//isopropyloxy radical -ipropoxy -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 1 {2,S} - - -//3-hydroperoxy-propyl radical -CH2CH2CH2OH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} - - - -//1-hydroxy-propyl radical -CH3CH2CHOH -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 1 {2,S} {4,S} -4 O 0 {3,S} - - - -//1-methyl-2-hydroxy-ethyl radical -CH3CHCH2OH -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} - - - -//2-hydroxyl-propyl radical -CH3CHOHCH2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 1 {2,S} -4 O 0 {2,S} - - -//1-methyl-1-hydroxyl-ethyl radical -CH3COHCH3 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} - - -//ethoxyl-methyl radical -CH3CH2OCH2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 1 {3,S} - - -//2-methoxyl-ethyl radical -CH2CH2OCH3 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} - - -//1-methoxyl-ethyl radical -CH3CHOCH3 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} - - -//n-propanol -npropanol -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} - - - -//isopropanol -ipropanol -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} - - -//ethyl-methyl-ether -EME -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 C 0 {3,S} - - -//allylperoxy radical -allylperoxy -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} - - -//propen-1-peroxy radical -propen1peroxy -1 C 0 {2,D} {4,S} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} -4 O 0 {1,S} {5,S} -5 O 1 {4,S} - - -//propen-2-peroxy radical -propen2peroxy -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} {5,S} -5 O 1 {4,S} - -//2-formyl-ethoxy radical -OCHCH2CH2O -1 O 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 O 0 {4,D} - - -//1-formyl-ethoxy radical -CH3CHOCHO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} {5,D} -4 O 1 {2,S} -5 O 0 {3,D} - - -//acetyl-methoxy radical -CH3COCH2O -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,D} -3 C 0 {2,S} {5,S} -4 O 0 {2,D} -5 O 1 {3,S} - - -//oxiranylmethoxy radical -oxiranylmethoxy -1 O 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {4,S} {5,S} {2,S} -4 C 0 {3,S} {5,S} -5 O 0 {3,S} {4,S} - - -//allyl-hydroperoxide -CH2CHCH2OOH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - - -//propen-1-hydroperoxide -propen1ooh -1 C 0 {2,D} {4,S} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} -4 O 0 {1,S} {5,S} -5 O 0 {4,S} - - -//propen-2-hydroperoxide -propen2ooh -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} {5,S} -5 O 0 {4,S} - -//n-propylperoxy radical -npropylperoxy -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} - - - - -//isopropylperoxy radical -ipropylperoxy -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} {5,S} -5 O 1 {4,S} - - -//3-hydroperoxyl-1-propyl radical -QOOH_1 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - - - - -//3-hydroperoxyl-2-propyl radical -QOOH_2 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - - - - -//2-methyl-2-hydroperoxyl-ethyl radical -QOOH_3 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} {5,S} -5 O 0 {4,S} - - -//n-propyl-hydroperoxide -npropylooh -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} - - - - -//isopropyl-hydroperoxide -ipropylooh -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 O 0 {2,S} {5,S} -5 O 0 {4,S} - - -//1-formyl-ethylperoxy radical -CH3CHOOCHO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {5,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} -5 O 0 {2,S} {6,S} -6 O 1 {5,S} - - -//2-formyl-ethylperoxy radical -OCHCH2CH2OO -1 O 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 1 {5,S} - - -//acetyl-methylperoxy radical -CH3COCH2OO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,D} -3 C 0 {2,S} {5,S} -4 O 0 {2,D} -5 O 0 {3,S} {6,S} -6 O 1 {5,S} - - -//oxiranyl-methylperoxy -oxiranylmoo -1 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {5,S} {6,S} {3,S} -5 C 0 {4,S} {6,S} -6 O 0 {4,S} {5,S} - - -//1-formyl-ethyl-hydroperoxide -CH3CHOOHCHO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} {6,D} -4 O 0 {2,S} {5,S} -5 O 0 {4,S} -6 O 0 {3,D} - - -//2-formyl-ethyl-hydroperoxide -OCHCH2CH2OOH -1 O 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - - -//acetyl-methyl-hydroperoxide -CH3COCH2OOH -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,D} -3 C 0 {2,S} {5,S} -4 O 0 {2,D} -5 O 0 {3,S} {6,S} -6 O 0 {5,S} - - -//oxiranyl-methyl-hydroperoxide -cC2H3OCH2OOH -1 O 0 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 C 0 {1,S} {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 O 0 {4,S} {6,S} -6 O 0 {5,S} - - -//3-hydroperoxy-propylperoxy radical -HOOCH2CH2CH2OO -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 O 0 {5,S} {7,S} -7 O 1 {6,S} - - -//1-methyl-2-hydroperoxy-ethylperoxy radical -CH3CHOOCH2OOH -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} -6 O 0 {2,S} {7,S} -7 O 1 {6,S} - - -//2-hydroperoxy-propylperoxy radical -CH3CHOOHCH2OO -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 1 {4,S} -6 O 0 {2,S} {7,S} -7 O 0 {6,S} - - -//1,3-dihydroperoxy-prop-2-yl radical -HOOCH2CHCH2OOH -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 O 0 {5,S} {7,S} -7 O 0 {6,S} - - -//2,3-dihydroperoxy-prop-1-yl radical -CH2CHOOHCH2OOH -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {6,S} -3 C 0 {2,S} {4,S} -4 O 0 {3,S} {5,S} -5 O 0 {4,S} -6 O 0 {2,S} {7,S} -7 O 0 {6,S} - - -//1,3-butadiyne -HCCCCH -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - - -//but-3-yn-1-en-1-yl radical -HCCCHCH -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,D} -4 C 1 {3,D} - - -//but-1-yn-3-en-3-yl radical -CH2CCCH -1 C 0 {2,D} -2 C 1 {1,D} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - - -//1-buten-3-yne -CH2CHCCH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - - -//1,2,3-butatriene -butatriene123 -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} {4,D} -4 C 0 {3,D} - - -//1,2-butadien-1-yl radical -CH3CHCCH -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - - -//1,3-butadien-2-yl radical -CH2CHCCH2 -1 C 0 {2,D} -2 C 1 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - - -//1,3-butadien-1-yl radical -CH2CHCHCH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 C 1 {3,D} - - -//1-butyne -butyne1 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - - -//1,2-butadiene -CH3CHCCH2 -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,D} -4 C 0 {3,D} - - -//1,3-butadiene -butadiene13 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - - -//1-methyl-allyl -m1_allyl -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - - -//2-methyl-allyl -m2_allyl -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {4,D} -3 C 0 {2,S} -4 C 0 {2,D} - - -//1-buten-1-yl -buten1yl1 -1 C 1 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - - -//3-buten-1-yl -buten3yl1 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} - - -//2-buten-2-yl -buten22yl -1 C 0 {2,S} -2 C 1 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} - - -//1-butene -butene1 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - - -//cis-2-butene -butene2c -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} - - -//trans-2-butene -butene2t -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} - - -//isobutene -isobutene -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} - - -//1-butyl radical -butyl_1 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - - -//2-butyl radical -butyl_2 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - - -//isobutyl radical -ibutyl -1 C 1 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} - - -//tert-butyl radical -tbutyl -1 C 0 {2,S} -2 C 1 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} - - -//n-butane -nbutane -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - - -//isobutane -ibutane -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} -3 C 0 {2,S} -4 C 0 {2,S} - - diff --git a/output/RMG_database/thermo_libraries/DFT_QCI_thermo/Library.txt b/output/RMG_database/thermo_libraries/DFT_QCI_thermo/Library.txt deleted file mode 100644 index 59355ed0cb..0000000000 --- a/output/RMG_database/thermo_libraries/DFT_QCI_thermo/Library.txt +++ /dev/null @@ -1,659 +0,0 @@ - -//H2 -H2 0.000 31.095 6.948 6.948 6.949 6.954 6.995 7.095 7.493 0.000 0.000 0.000 - -//CH radical -CH 142.315 43.643 6.948 6.956 6.990 7.060 7.285 7.550 8.079 0.000 0.000 0.000 - -//CH2 singlet -CH2(S) 102.462 45.144 8.063 8.310 8.633 8.995 9.765 10.497 11.831 0.000 0.000 0.000 - -//CH2 triplet -CH2(T) 93.790 46.586 8.296 8.655 8.981 9.279 9.870 10.466 11.687 0.000 0.000 0.000 - -//methyl radical -CH3 35.163 46.435 9.360 10.115 10.854 11.553 12.856 14.029 16.210 0.000 0.000 0.000 - -//methane -CH4 -17.645 44.410 8.492 9.605 10.975 12.356 14.873 16.970 20.511 0.000 0.000 0.000 - -//hydroxyl radical -OH 8.911 43.903 6.948 6.948 6.953 6.971 7.066 7.234 7.723 0.000 0.000 0.000 - -//H2O -H2O -58.023 45.035 7.998 8.160 8.392 8.649 9.189 9.749 11.025 0.000 0.000 0.000 - -//carbon monoxide -CO -26.323 47.136 6.954 6.995 7.094 7.240 7.575 7.872 8.342 0.000 0.000 0.000 - -//formyl radical -HCO 10.166 53.514 8.254 8.683 9.176 9.680 10.604 11.341 12.468 0.000 0.000 0.000 - -//formaldehyde -CH2O -26.159 52.160 8.443 9.326 10.378 11.422 13.254 14.685 16.902 0.000 0.000 0.000 - -//hydroxymethylene singlet -HCOH(S) 26.108 53.701 8.690 9.849 11.134 12.347 14.347 15.799 17.849 0.000 0.000 0.000 - -//hydroxymethylene triplet -HCOH(T) 51.830 58.324 10.197 11.246 12.177 12.943 14.111 14.992 16.475 0.000 0.000 0.000 - -//methoxy radical -CH3O 4.884 54.422 9.872 11.640 13.325 14.806 17.210 19.036 21.889 0.000 0.000 0.000 - -//hydroxymethyl radical -CH2OH -3.590 58.190 11.448 12.958 14.318 15.456 17.227 18.589 20.925 0.000 0.000 0.000 - -//methanol -CH3OH -48.240 57.185 10.587 12.352 14.254 16.013 18.952 21.247 25.018 0.000 0.000 0.000 - -//O2 -O2 0.000 48.924 7.000 7.151 7.369 7.596 7.977 8.239 8.580 0.000 0.000 0.000 - -//hydroperoxyl radical -HO2 2.733 54.609 8.285 8.816 9.377 9.875 10.664 11.259 12.253 0.000 0.000 0.000 - -//hydrogen-peroxide -HOOH -32.097 55.779 9.897 10.831 11.728 12.501 13.720 14.660 16.279 0.000 0.000 0.000 - -//carbon dioxide -CO2 -94.125 50.992 8.869 9.845 10.626 11.264 12.229 12.898 13.822 0.000 0.000 0.000 - -//hydroxycarbonyl radical -HOCO -43.681 60.193 11.253 12.802 13.956 14.837 16.078 16.880 17.908 0.000 0.000 0.000 - -//formyloxy radical -formyloxy -30.207 60.345 12.240 13.410 14.377 15.196 16.462 17.336 18.524 0.000 0.000 0.000 - -//formic acid -formic_acid -90.466 59.464 11.017 13.147 15.139 16.849 19.423 21.140 23.318 0.000 0.000 0.000 - -//methylperoxy radical -CH3OO 3.263 64.410 12.076 14.177 16.239 18.046 20.904 23.012 26.263 0.000 0.000 0.000 - -//hydroxymethoxy radical -HOCH2O -40.555 64.473 13.221 15.915 18.157 19.910 22.422 24.168 26.843 0.000 0.000 0.000 - -//methyl-hydroperoxide -CH3OOH -30.726 67.106 14.618 17.113 19.403 21.368 24.470 26.791 30.466 0.000 0.000 0.000 - -//3-dioxiranone -cCO3 -39.061 60.992 11.641 13.420 14.737 15.718 17.036 17.843 18.839 0.000 0.000 0.000 - -//formylperoxy radical -formylperoxy -25.183 66.189 14.255 16.544 18.298 19.623 21.416 22.504 23.781 0.000 0.000 0.000 - -//formyl-hydroperoxide -OCHOOH -69.069 67.243 17.217 19.740 21.349 22.485 24.140 25.387 27.466 0.000 0.000 0.000 - -//hydroperoxy-methoxy radical -HOOCH2O -21.543 72.641 19.059 21.820 23.763 25.265 27.536 29.213 31.870 0.000 0.000 0.000 - -//hydroxymethyl-peroxy radical -HOCH2OO -39.477 72.460 17.716 20.358 22.565 24.339 26.928 28.737 31.532 0.000 0.000 0.000 - -//hydroperoxy-methanol -HOOCH2OH -75.310 72.773 19.912 23.176 25.963 28.132 31.112 33.100 36.163 0.000 0.000 0.000 - -//C2 singlet -//C2(S) 197.564 45.463 6.970 7.063 7.228 7.426 7.802 8.087 8.488 - -//C2 triplet -C2(T) 199.390 47.814 6.990 7.126 7.332 7.553 7.934 8.203 8.559 0.000 0.000 0.000 - -//ethynyl radical -HC2 135.700 51.641 10.340 10.641 10.891 11.150 11.697 12.221 13.212 0.000 0.000 0.000 - -//acetylene ethyne -C2H2 54.640 47.728 10.273 11.786 12.854 13.669 14.942 15.966 17.787 0.000 0.000 0.000 - -//acetylene triplet -C2H2(T) 143.701 54.212 9.634 10.896 11.974 12.877 14.323 15.440 17.247 0.000 0.000 0.000 - -//vinylidene singlet -H2CC(S) 98.417 53.097 10.526 11.500 12.355 13.107 14.382 15.421 17.180 0.000 0.000 0.000 - -//vinylidene triplet -H2CC(T) 145.946 55.633 9.320 10.467 11.539 12.482 14.029 15.223 17.135 0.000 0.000 0.000 - -//vinyl radical -C2H3 71.151 55.777 10.415 12.276 13.886 15.235 17.385 19.047 21.768 0.000 0.000 0.000 - -//ethylidyne radical -CCH3 120.390 56.468 10.461 12.226 13.853 15.263 17.545 19.284 22.020 0.000 0.000 0.000 - -//ethene -C2H4 12.476 52.254 10.170 12.505 14.733 16.674 19.803 22.200 26.076 0.000 0.000 0.000 - -//ethene triplet -C2H4(T) 79.052 57.013 13.222 15.372 17.192 18.725 21.229 23.224 26.514 0.000 0.000 0.000 - -//ethylidene singlet -CHCH3(S) 87.469 57.911 11.521 13.507 15.431 17.150 20.007 22.231 25.785 0.000 0.000 0.000 - -//ethylidene triplet -CHCH3(T) 84.827 59.111 11.007 13.097 15.099 16.860 19.742 21.977 25.583 0.000 0.000 0.000 - -//ethyl radical -C2H5 28.934 59.122 12.251 14.774 17.181 19.314 22.843 25.611 30.127 0.000 0.000 0.000 - -//ethane -C2H6 -20.028 54.726 12.565 15.512 18.421 21.059 25.487 28.964 34.591 0.000 0.000 0.000 - -//dicarbon monoxide singlet -C2O(S) 110.367 53.610 10.245 11.021 11.645 12.161 12.939 13.461 14.149 0.000 0.000 0.000 - -//dicarbon monoxide triplet -C2O(T) 91.049 55.836 10.343 11.096 11.703 12.208 12.970 13.483 14.160 0.000 0.000 0.000 - -//kentyl radical -HCCO 42.404 58.805 11.970 13.092 13.942 14.635 15.735 16.572 17.909 0.000 0.000 0.000 - -//ethynol -ethynol 22.030 59.097 13.438 15.172 16.461 17.467 19.010 20.208 22.286 0.000 0.000 0.000 - -//ketene -ketene -11.679 57.631 12.306 14.108 15.568 16.770 18.670 20.117 22.439 0.000 0.000 0.000 - -//CHCHO -ketene(T) 38.991 62.753 13.107 15.207 16.880 18.179 19.979 21.136 22.731 0.000 0.000 0.000 - -//oxirene -oxirene 65.089 60.479 13.179 15.057 16.524 17.671 19.382 20.642 22.684 0.000 0.000 0.000 - -//oxiranyl radical -oxiranyl 39.967 60.352 11.243 14.159 16.706 18.770 21.828 23.989 27.256 0.000 0.000 0.000 - -//2-hydroxy-vinyl radical -CHCHOH 31.463 62.748 14.653 17.718 19.999 21.591 23.584 24.881 27.021 0.000 0.000 0.000 - -//1-hydroxy-vinyl radical -CH2COH 27.838 64.116 14.363 16.856 18.744 20.190 22.320 23.901 26.535 0.000 0.000 0.000 - -//vinoxy radical -vinoxy 4.427 61.853 12.720 15.276 17.486 19.318 22.133 24.186 27.351 0.000 0.000 0.000 - -//acetyl radical -acetyl -2.271 63.738 12.064 14.111 16.078 17.824 20.667 22.815 26.158 0.000 0.000 0.000 - -//oxirane ethylene-oxide -oxirane -12.356 57.942 11.426 14.853 17.980 20.587 24.544 27.388 31.722 0.000 0.000 0.000 - -//ethenol vinyl alcohol -ethenol -29.857 62.176 15.024 18.066 20.543 22.511 25.445 27.605 31.144 0.000 0.000 0.000 - -//acetaldehyde -CH3CHO -39.589 62.986 12.966 15.477 17.954 20.181 23.829 26.589 30.869 0.000 0.000 0.000 - -//ethoxy radical -CH3CH2O -3.059 66.844 15.802 18.824 21.653 24.132 28.151 31.206 36.006 0.000 0.000 0.000 - -//methoxy-methyl radical -CH3OCH2 0.773 67.315 15.533 18.290 21.024 23.462 27.406 30.387 35.080 0.000 0.000 0.000 - -//2-hydroxy-ethyl radical -CH2CH2OH -5.946 69.419 16.841 19.488 21.955 24.106 27.598 30.309 34.795 0.000 0.000 0.000 - -//1-hydroxy-ethyl radical -CH3CHOH -13.048 68.089 15.825 18.764 21.494 23.839 27.553 30.360 34.892 0.000 0.000 0.000 - -//ethanol -ethanol -56.422 66.773 15.674 19.241 22.574 25.462 30.088 33.605 39.265 0.000 0.000 0.000 - -//dimethyl-ether -DME -43.917 63.856 15.775 18.915 22.066 24.947 29.763 33.488 39.389 0.000 0.000 0.000 - -//ethenedial triplet -OCCO(T) 4.834 61.184 14.208 15.201 15.983 16.649 17.719 18.490 19.579 0.000 0.000 0.000 - -//1,2-dionyl-ethyl radical -OCHCO -14.899 67.191 13.857 15.602 17.092 18.334 20.230 21.559 23.460 0.000 0.000 0.000 - -//1-hydroxyl-ketenyl radical -OCCOH 5.313 65.745 14.276 16.054 17.471 18.612 20.304 21.483 23.249 0.000 0.000 0.000 - -//glyoxal -glyoxal -50.919 64.554 14.478 17.028 19.406 21.413 24.263 26.010 28.192 0.000 0.000 0.000 - -//oxiranone aceto-lactone -oxiranone -41.023 63.082 13.081 15.993 18.414 20.353 23.198 25.160 28.016 0.000 0.000 0.000 - -//hydroxy-ketene -hydroxyketene -36.154 66.577 15.920 18.159 19.881 21.236 23.268 24.755 27.132 0.000 0.000 0.000 - -//ethynediol -ethynediol -5.130 67.354 17.316 18.995 20.349 21.460 23.198 24.538 26.841 0.000 0.000 0.000 - -//vinylperoxy radical -CH2CHOO 27.516 68.050 16.796 20.057 22.697 24.760 27.694 29.683 32.629 0.000 0.000 0.000 - -//2-hydroperoxyl-vinyl radical -CHCHOOH 53.494 74.802 18.500 21.013 23.088 24.719 27.092 28.788 31.504 0.000 0.000 0.000 - -//formyl-methoxy radical -OCH2CHO -18.263 70.091 15.735 19.025 21.803 24.021 27.241 29.443 32.623 0.000 0.000 0.000 - -//formyloxyl-methyl radical -CH2OCHO -37.259 70.119 17.173 20.159 22.873 25.133 28.423 30.563 33.294 0.000 0.000 0.000 - -//methoxyl-formyl radical -CH3OCO -37.616 70.503 15.263 17.744 20.194 22.368 25.812 28.271 31.762 0.000 0.000 0.000 - -//oxiranyloxy radical -cC2H3O2 -8.906 67.786 15.486 18.872 21.696 23.961 27.294 29.620 33.074 0.000 0.000 0.000 - -//acetyloxy radical -acetyloxy -44.885 67.738 14.611 17.659 20.335 22.562 25.943 28.347 31.931 0.000 0.000 0.000 - -//2-hydroperoxyl-vinyl radical -CH2COOH -55.793 67.800 16.495 19.865 22.653 24.954 28.451 30.839 33.784 0.000 0.000 0.000 - -//vinyl-hydroperoxide -CH2CHOOH -9.200 73.038 18.382 21.576 24.393 26.691 30.095 32.505 36.237 0.000 0.000 0.000 - -//acetic acid -acetic_acid -103.256 68.232 15.539 19.209 22.499 25.328 29.785 32.989 37.443 0.000 0.000 0.000 - -//methyl-formate -methyl_formate -85.596 69.003 15.451 18.667 21.952 24.911 29.595 32.888 37.375 0.000 0.000 0.000 - -//cis-ethen-1,2-diol -HOCHCHOH -68.797 68.764 17.079 21.406 25.070 27.861 31.436 33.559 36.617 0.000 0.000 0.000 - -//hydroxy-acetaldehyde -HOCH2CHO -76.040 68.745 17.667 21.961 25.631 28.398 31.960 34.133 37.211 0.000 0.000 0.000 - -//ethylperoxy radical -CH3CH2OO -5.033 74.152 17.576 21.349 24.744 27.614 32.088 35.388 40.506 0.000 0.000 0.000 - -//hydroperoxyl-ethyl radical -CH2CH2OOH 12.161 79.034 19.841 23.332 26.389 28.922 32.800 35.647 40.140 0.000 0.000 0.000 - -//1,2-dihydroxyl-ethyl radical -HOCH2CHOH -50.001 75.152 21.752 25.836 29.029 31.399 34.651 36.913 40.601 0.000 0.000 0.000 - -//3-hydroxyl-ethoxy radical -HOCH2CH2O -39.262 71.449 20.941 25.839 29.129 31.403 34.627 37.067 41.184 0.000 0.000 0.000 - -//hydroxyl,methoxyl-methyl radical -CH3OCHOH -43.809 73.603 20.939 24.674 27.531 29.733 33.069 35.628 39.922 0.000 0.000 0.000 - -//hydroxymethoxyl-methyl radical -HOCH2OCH2 -42.696 74.398 22.780 26.011 28.451 30.430 33.556 35.993 40.114 0.000 0.000 0.000 - -//methoxyl-methoxy radical -CH3OCH2O -35.159 74.159 17.428 21.195 24.672 27.637 32.257 35.630 40.750 0.000 0.000 0.000 - -//ethyl-hydroperoxide -CH3CH2OOH -38.534 75.154 20.000 24.099 27.750 30.835 35.650 39.218 44.799 0.000 0.000 0.000 - -//dimethyl-peroxide -CH3OOCH3 -29.144 72.224 19.474 23.302 26.877 30.001 35.042 38.862 44.844 0.000 0.000 0.000 - -//ketenylperoxy radical -ketenylperoxy 19.158 75.792 18.667 20.748 22.358 23.607 25.410 26.646 28.437 0.000 0.000 0.000 - -//acetylperoxy radical -acetylperoxy -37.465 76.208 19.907 23.071 25.848 28.147 31.557 33.900 37.280 0.000 0.000 0.000 - -//formylmethyl-peroxy radical -vinoxyperoxy -18.878 77.552 19.793 23.218 26.099 28.389 31.698 33.966 37.286 0.000 0.000 0.000 - -//hydroperoxyl-acetyl radical -hoo_acetyl -17.755 79.317 22.346 25.828 28.486 30.440 33.070 34.813 37.392 0.000 0.000 0.000 - -//hydroperoxyl-vinoxy radical -hoo_vinoxy -35.219 73.727 21.044 25.439 28.985 31.674 35.203 37.276 39.598 0.000 0.000 0.000 - -//ethyl-hydroperoxide -CH3OOCH2O -29.253 81.274 22.724 26.951 30.525 33.478 38.037 41.374 46.433 0.000 0.000 0.000 - -//2-hydroperoxyl-ethylperoxy radical -HOOCH2CH2OO -21.460 89.696 29.552 33.824 37.039 39.593 43.544 46.512 51.215 0.000 0.000 0.000 - -//propadienylidene singlet -H2CCC(S) 132.136 58.667 12.446 13.958 15.368 16.606 18.613 20.132 22.506 0.000 0.000 0.000 - -//HCCCH singlet -HCCCH(S) 142.727 59.457 14.124 15.722 16.994 18.026 19.636 20.861 22.850 0.000 0.000 0.000 - -//propynylidene triplet -HCCCH(T) 130.529 63.781 16.803 17.706 18.466 19.130 20.259 21.205 22.910 0.000 0.000 0.000 - -//propargyl radical -C3H3 84.199 60.623 14.902 17.212 18.998 20.432 22.682 24.423 27.317 0.000 0.000 0.000 - -//allene -allene 45.072 59.336 13.967 17.020 19.626 21.787 25.176 27.734 31.818 0.000 0.000 0.000 - -//propyne -propyne 44.284 58.986 14.368 17.141 19.547 21.601 24.925 27.494 31.649 0.000 0.000 0.000 - -//cyclopropene -cC3H4 67.589 58.015 12.508 16.018 19.007 21.428 25.074 27.721 31.841 0.000 0.000 0.000 - -//allyl radical -allyl 40.585 61.540 14.885 18.725 21.975 24.634 28.721 31.759 36.602 0.000 0.000 0.000 - -//cyclopropyl -cC3H5 69.882 61.584 13.614 17.846 21.434 24.320 28.647 31.786 36.685 0.000 0.000 0.000 - -//propen-2-yl (1-methyl-vinyl) radical -propen2yl 60.498 65.408 15.139 18.179 21.042 23.559 27.655 30.784 35.731 0.000 0.000 0.000 - -//propen-1-yl (2-methyl-vinyl) radical -propen1yl 64.052 64.876 15.279 18.478 21.363 23.847 27.842 30.889 35.745 0.000 0.000 0.000 - -//cyclopropane -cC3H6 13.022 56.668 13.356 18.125 22.345 25.821 31.105 34.964 40.997 0.000 0.000 0.000 - -//propene -C3H6 4.607 63.630 15.382 19.098 22.571 25.602 30.502 34.236 40.173 0.000 0.000 0.000 - -//propene triplet -C3H6(T) 71.616 70.488 17.326 20.881 24.120 26.919 31.453 34.939 40.466 0.000 0.000 0.000 - -//n-propyl radical -npropyl 24.271 69.303 17.348 21.505 25.276 28.526 33.776 37.810 44.287 0.000 0.000 0.000 - -//isopropyl radical -ipropyl 21.249 68.901 16.369 20.253 24.072 27.481 33.066 37.343 44.108 0.000 0.000 0.000 - -//propane -C3H8 -25.203 66.066 17.757 22.393 26.702 30.469 36.602 41.318 48.850 0.000 0.000 0.000 - -//propynonyl radical -HCCCO 69.086 66.418 15.566 17.096 18.236 19.163 20.623 21.714 23.411 0.000 0.000 0.000 - -//propynal -propynal 31.776 65.537 15.100 17.478 19.409 20.994 23.447 25.241 27.984 0.000 0.000 0.000 - -//propadienal -CH2CCO 31.160 66.052 15.092 17.264 19.130 20.716 23.234 25.101 27.947 0.000 0.000 0.000 - -//vinyl-formyl radical -CH2CHCO 23.236 67.913 15.612 18.585 21.167 23.324 26.646 29.052 32.709 0.000 0.000 0.000 - -//1-formyl-vinyl radical -CH2CCHO 45.164 70.258 16.308 19.124 21.611 23.723 27.020 29.411 32.991 0.000 0.000 0.000 - -//2-formyl-vinyl radical -CHCHCHO 44.384 67.331 16.240 19.738 22.686 25.026 28.292 30.371 33.172 0.000 0.000 0.000 - -//acrolein -acrolein -15.511 65.350 16.875 20.407 23.492 26.098 30.139 33.039 37.305 0.000 0.000 0.000 - -//acrolein triplet -acrolein(T) 45.847 69.681 18.774 22.181 25.079 27.475 31.172 33.882 37.991 0.000 0.000 0.000 - -//methyl-ketene -methylketene -15.137 68.576 16.455 19.542 22.364 24.815 28.752 31.711 36.314 0.000 0.000 0.000 - -//oxetene -oxetene 12.636 62.927 14.061 18.436 22.192 25.213 29.643 32.733 37.351 0.000 0.000 0.000 - -//allyloxy radical -allyloxy 23.695 72.632 18.451 22.366 25.849 28.762 33.265 36.562 41.635 0.000 0.000 0.000 - -//propen-2-oxy radical -propen2oxy -6.892 72.934 17.861 21.848 25.330 28.259 32.823 36.173 41.247 0.000 0.000 0.000 - -//2-formyl-ethyl radical -CH2CH2CHO 6.623 75.408 19.408 22.494 25.450 28.064 32.311 35.534 40.591 0.000 0.000 0.000 - -//oxiranyl-methyl radical -oxiranylmethyl 25.964 69.926 17.893 22.389 26.157 29.167 33.614 36.786 41.683 0.000 0.000 0.000 - -//vinoxyl-methyl radical -CH2OCHCH2 22.086 72.905 19.071 23.063 26.469 29.237 33.387 36.377 41.022 0.000 0.000 0.000 - -//1-formyl-ethyl radical -CH3CHCHO -5.700 71.271 18.055 21.584 24.930 27.854 32.529 36.020 41.385 0.000 0.000 0.000 - -//propionyl radical -CH3CH2CO -6.919 74.679 17.762 20.928 24.041 26.823 31.363 34.804 40.182 0.000 0.000 0.000 - -//2-oxetanyl radical -oxetanyl2 24.420 67.616 15.345 20.118 24.337 27.798 32.981 36.653 42.164 0.000 0.000 0.000 - -//3-oxetanyl radical -oxetanyl3 30.557 66.777 16.188 20.783 24.882 28.263 33.353 36.969 42.379 0.000 0.000 0.000 - -//1-hydroxyl-allyl -hydroxyl1allyl -2.209 70.175 19.347 23.577 27.069 29.849 33.947 36.892 41.563 0.000 0.000 0.000 - -//2-hydroxyl-allyl -hydroxyl2allyl -1.576 69.254 19.737 24.218 27.654 30.297 34.159 36.969 41.531 0.000 0.000 0.000 - -//acetone -acetone -51.977 70.899 17.532 21.653 25.522 28.904 34.336 38.414 44.767 0.000 0.000 0.000 - -//propanal (propaldehyde) -propanal -45.041 73.497 18.919 22.416 25.987 29.231 34.574 38.630 44.939 0.000 0.000 0.000 - -//propen-1-ol -propen1ol -35.849 70.849 20.671 24.561 28.022 30.977 35.680 39.253 45.019 0.000 0.000 0.000 - -//propen-2-ol -propen2ol -40.585 69.602 20.595 25.298 29.058 32.045 36.547 39.890 45.318 0.000 0.000 0.000 - -//propylene-oxide -cC3H6O -22.254 68.534 17.377 22.084 26.330 29.916 35.483 39.565 45.860 0.000 0.000 0.000 - -//oxetane -oxetane -18.984 65.615 15.214 20.428 25.240 29.292 35.485 39.924 46.599 0.000 0.000 0.000 - -//allyl-alcohol -propen3ol -30.080 72.639 21.542 25.014 28.203 31.012 35.600 39.144 44.922 0.000 0.000 0.000 - -//cyclopropanol -cyclopropanol -24.243 68.026 18.046 23.137 27.432 30.893 36.073 39.831 45.769 0.000 0.000 0.000 - -//n-propyloxy radical -npropoxy -8.073 75.655 20.762 25.478 29.707 33.323 39.081 43.409 50.173 0.000 0.000 0.000 - -//isopropyloxy radical -ipropoxy -10.664 72.525 20.827 25.556 29.742 33.303 38.965 43.242 50.000 0.000 0.000 0.000 - -//3-hydroperoxy-propyl radical -CH2CH2CH2OH -11.538 79.475 22.039 26.168 30.066 33.408 38.680 42.656 49.055 0.000 0.000 0.000 - -//1-hydroxy-propyl radical -CH3CH2CHOH -17.590 78.735 21.219 25.668 29.690 33.112 38.509 42.571 49.060 0.000 0.000 0.000 - -//1-methyl-2-hydroxy-ethyl radical -CH3CHCH2OH -13.795 80.420 21.043 25.107 28.976 32.376 37.867 42.053 48.757 0.000 0.000 0.000 - -//2-hydroxyl-propyl radical -CH3CHOHCH2 -14.714 77.935 22.674 26.974 30.742 33.915 38.934 42.771 49.052 0.000 0.000 0.000 - -//1-methyl-1-hydroxyl-ethyl radical -CH3COHCH3 -22.896 74.562 21.775 26.053 29.947 33.298 38.637 42.675 49.128 0.000 0.000 0.000 - -//ethoxyl-methyl radical -CH3CH2OCH2 -7.287 76.058 21.441 25.698 29.733 33.234 38.792 42.947 49.453 0.000 0.000 0.000 - -//2-methoxyl-ethyl radical -CH2CH2OCH3 -1.319 77.592 21.214 25.297 29.205 32.656 38.258 42.512 49.206 0.000 0.000 0.000 - -//1-methoxyl-ethyl radical -CH3CHOCH3 -8.641 75.541 21.477 25.803 29.729 33.086 38.465 42.577 49.155 0.000 0.000 0.000 - -//n-propanol -npropanol -61.284 76.307 20.866 25.943 30.623 34.650 41.045 45.854 53.483 0.000 0.000 0.000 - -//isopropanol -ipropanol -65.424 74.202 21.770 26.888 31.470 35.354 41.489 46.126 53.569 0.000 0.000 0.000 - -//ethyl-methyl-ether -EME -51.942 73.519 22.572 26.948 31.119 34.897 41.198 46.070 53.781 0.000 0.000 0.000 - -//allylperoxy radical -allylperoxy 21.200 80.556 21.146 25.434 29.199 32.340 37.164 40.674 46.074 0.000 0.000 0.000 - -//propen-1-peroxy radical -propen1peroxy 19.177 76.696 22.446 26.758 30.497 33.584 38.244 41.571 46.621 0.000 0.000 0.000 - -//propen-2-peroxy radical -propen2peroxy 15.984 76.198 23.081 27.645 31.326 34.258 38.620 41.761 46.637 0.000 0.000 0.000 - -//2-formyl-ethoxy radical -OCHCH2CH2O -25.676 82.319 20.717 24.950 28.848 32.167 37.303 40.995 46.475 0.000 0.000 0.000 - -//1-formyl-ethoxy radical -CH3CHOCHO -27.168 79.542 22.135 26.412 30.173 33.300 38.066 41.488 46.644 0.000 0.000 0.000 - -//acetyl-methoxy radical -CH3COCH2O -31.345 78.328 21.085 25.767 29.923 33.337 38.348 41.786 46.818 0.000 0.000 0.000 - -//oxiranylmethoxy radical -oxiranylmethoxy -2.738 76.885 19.761 24.690 29.063 32.657 38.018 41.772 47.306 0.000 0.000 0.000 - -//allyl-hydroperoxide -CH2CHCH2OOH -11.901 82.028 25.135 29.031 32.690 35.843 40.796 44.469 50.249 0.000 0.000 0.000 - -//propen-1-hydroperoxide -propen1ooh -15.283 81.557 23.578 28.046 31.992 35.298 40.409 44.170 50.069 0.000 0.000 0.000 - -//propen-2-hydroperoxide -propen2ooh -19.819 78.901 24.922 29.698 33.460 36.482 41.122 44.595 50.198 0.000 0.000 0.000 - -//n-propylperoxy radical -npropylperoxy -9.762 83.486 23.015 28.238 32.940 36.915 43.109 47.671 54.730 0.000 0.000 0.000 - -//isopropylperoxy radical -ipropylperoxy -14.373 80.870 24.247 29.244 33.669 37.422 43.342 47.771 54.724 0.000 0.000 0.000 - -//3-hydroperoxyl-1-propyl radical -QOOH_1 6.809 88.506 25.248 30.372 34.765 38.398 43.989 48.101 54.526 0.000 0.000 0.000 - -//3-hydroperoxyl-2-propyl radical -QOOH_2 4.644 88.239 24.230 29.075 33.496 37.257 43.123 47.442 54.148 0.000 0.000 0.000 - -//2-methyl-2-hydroperoxyl-ethyl radical -QOOH_3 4.077 86.863 26.485 31.256 35.420 38.884 44.223 48.167 54.418 0.000 0.000 0.000 - -//n-propyl-hydroperoxide -npropylooh -43.306 84.192 25.706 31.192 36.068 40.199 46.678 51.491 59.007 0.000 0.000 0.000 - -//isopropyl-hydroperoxide -ipropylooh -47.686 82.430 26.878 32.342 37.095 41.079 47.288 51.904 59.171 0.000 0.000 0.000 - -//1-formyl-ethylperoxy radical -CH3CHOOCHO -28.683 86.840 25.578 30.377 34.459 37.764 42.677 46.156 51.402 0.000 0.000 0.000 - -//2-formyl-ethylperoxy radical -OCHCH2CH2OO -27.501 88.332 27.204 31.130 34.486 37.418 42.170 45.728 51.188 0.000 0.000 0.000 - -//acetyl-methylperoxy radical -CH3COCH2OO -31.999 86.932 25.238 29.958 33.996 37.299 42.286 45.858 51.258 0.000 0.000 0.000 - -//oxiranyl-methylperoxy -oxiranylmoo -3.756 85.336 23.625 28.595 33.065 36.764 42.289 46.160 51.895 0.000 0.000 0.000 - -//1-formyl-ethyl-hydroperoxide -CH3CHOOHCHO -64.046 86.869 28.656 33.764 38.091 41.614 46.838 50.504 56.009 0.000 0.000 0.000 - -//2-formyl-ethyl-hydroperoxide -OCHCH2CH2OOH -61.721 89.678 29.398 33.269 36.951 40.230 45.513 49.441 55.469 0.000 0.000 0.000 - -//acetyl-methyl-hydroperoxide -CH3COCH2OOH -68.961 85.834 28.339 33.752 38.208 41.764 46.966 50.605 56.094 0.000 0.000 0.000 - -//oxiranyl-methyl-hydroperoxide -cC2H3OCH2OOH -40.231 82.285 28.904 34.868 39.572 43.175 48.190 51.591 56.799 0.000 0.000 0.000 - -//3-hydroperoxy-propylperoxy radical -HOOCH2CH2CH2OO -28.140 97.982 34.868 40.135 44.707 48.533 54.436 58.745 65.380 0.000 0.000 0.000 - -//1-methyl-2-hydroperoxy-ethylperoxy radical -CH3CHOOCH2OOH -31.242 97.229 36.165 41.945 46.337 49.781 55.071 59.075 65.505 0.000 0.000 0.000 - -//2-hydroperoxy-propylperoxy radical -CH3CHOOHCH2OO -31.149 96.950 36.515 42.429 47.245 51.041 56.519 60.371 66.327 0.000 0.000 0.000 - -//1,3-dihydroperoxy-prop-2-yl radical -HOOCH2CHCH2OOH -15.611 95.309 38.231 48.369 54.363 57.483 60.489 62.478 66.333 0.000 0.000 0.000 - -//2,3-dihydroperoxy-prop-1-yl radical -CH2CHOOHCH2OOH -15.837 103.475 35.627 41.461 46.230 49.999 55.508 59.397 65.337 0.000 0.000 0.000 - -//1,3-butadiyne -HCCCCH 109.864 58.912 17.017 19.654 21.440 22.778 24.797 26.331 28.861 0.000 0.000 0.000 - -//but-3-yn-1-en-1-yl radical -HCCCHCH 130.181 67.346 17.244 20.414 22.801 24.664 27.474 29.555 32.868 0.000 0.000 0.000 - -//but-1-yn-3-en-3-yl radical -CH2CCCH 118.749 70.267 18.680 21.245 23.288 24.972 27.641 29.676 32.946 0.000 0.000 0.000 - -//1-buten-3-yne -CH2CHCCH 69.023 66.235 17.179 20.880 23.885 26.319 30.057 32.835 37.245 0.000 0.000 0.000 - -//1,2,3-butatriene -butatriene123 76.698 65.154 17.514 21.007 23.923 26.334 30.104 32.926 37.371 0.000 0.000 0.000 - -//1,2-butadien-1-yl radical -CH3CHCCH 76.796 71.892 18.796 22.592 25.825 28.541 32.837 36.079 41.229 0.000 0.000 0.000 - -//1,3-butadien-2-yl radical -CH2CHCCH2 76.211 69.580 18.791 23.052 26.587 29.469 33.895 37.167 42.307 0.000 0.000 0.000 - -//1,3-butadien-1-yl radical -CH2CHCHCH 86.372 68.326 18.727 23.697 27.655 30.652 34.828 37.701 42.137 0.000 0.000 0.000 - -//1-butyne -butyne1 40.086 69.180 19.467 23.900 27.686 30.861 35.893 39.713 45.811 0.000 0.000 0.000 - -//1,2-butadiene -CH3CHCCH2 38.522 69.709 18.949 23.200 27.031 30.319 35.571 39.537 45.785 0.000 0.000 0.000 - -//1,3-butadiene -butadiene13 26.497 65.819 18.482 23.965 28.661 32.350 37.557 41.123 46.590 0.000 0.000 0.000 - -//1-methyl-allyl -m1_allyl 32.909 71.990 19.860 24.811 29.290 33.101 39.099 43.575 50.602 0.000 0.000 0.000 - -//2-methyl-allyl -m2_allyl 33.333 70.246 19.588 24.938 29.515 33.315 39.222 43.621 50.574 0.000 0.000 0.000 - -//1-buten-1-yl -buten1yl1 59.278 74.497 20.575 25.356 29.574 33.154 38.837 43.129 49.921 0.000 0.000 0.000 - -//3-buten-1-yl -buten3yl1 49.793 75.467 20.739 25.338 29.497 33.052 38.708 42.987 49.792 0.000 0.000 0.000 - -//2-buten-2-yl -buten22yl 53.827 74.383 20.309 24.460 28.515 32.141 38.080 42.605 49.702 0.000 0.000 0.000 - -//1-butene -butene1 -0.014 73.182 20.824 26.078 30.855 34.962 41.526 46.493 54.356 0.000 0.000 0.000 - -//cis-2-butene -butene2c -1.534 73.277 20.325 25.281 30.029 34.222 41.021 46.172 54.247 0.000 0.000 0.000 - -//trans-2-butene -butene2t -2.738 70.677 21.142 25.958 30.537 34.592 41.204 46.250 54.235 0.000 0.000 0.000 - -//isobutene -isobutene -4.119 70.164 21.121 26.147 30.767 34.802 41.347 46.344 54.274 0.000 0.000 0.000 - -//1-butyl radical -butyl_1 19.318 78.540 23.005 28.544 33.594 37.935 44.885 50.167 58.559 0.000 0.000 0.000 - -//2-butyl radical -butyl_2 16.616 79.048 21.878 27.229 32.315 36.787 44.042 49.565 58.276 0.000 0.000 0.000 - -//isobutyl radical -ibutyl 17.766 76.440 23.139 28.925 34.009 38.302 45.116 50.296 58.581 0.000 0.000 0.000 - -//tert-butyl radical -tbutyl 12.980 76.215 21.711 26.638 31.617 36.121 43.546 49.221 58.128 0.000 0.000 0.000 - -//n-butane -nbutane -30.036 73.694 23.971 29.745 35.176 39.946 47.715 53.665 63.113 0.000 0.000 0.000 - -//isobutane -ibutane -32.025 71.156 23.899 30.207 35.819 40.565 48.083 53.802 63.009 0.000 0.000 0.000 - - diff --git a/output/RMG_database/thermo_libraries/GRI-Mech3.0/Dictionary.txt b/output/RMG_database/thermo_libraries/GRI-Mech3.0/Dictionary.txt deleted file mode 100644 index d921de8d5d..0000000000 --- a/output/RMG_database/thermo_libraries/GRI-Mech3.0/Dictionary.txt +++ /dev/null @@ -1,260 +0,0 @@ -//s00000049 -//1 Ar 0 -// RMG does not recognize Ar - -s00000208 -//1 C 0 -// InChI cannot represent a carbon atom -1 C 4 - -s00002295 -1 C 0 {2,T} -2 C 1 {1,T} - -s00002305 -1 C 0 {2,T} -2 C 0 {1,T} - -s00002431 -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -s00002432 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 O 0 {2,S} - -s00002447 -1 C 1 {2,D} -2 C 0 {1,D} - -s00002559 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 1 {2,S} - -s00002577 -1 C 0 {2,D} -2 C 0 {1,D} - -s00002656 -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -s00002703 -1 C 1 {2,S} -2 C 0 {1,S} - -s00002784 -1 C 0 {2,S} -2 C 0 {1,S} - -s00003017 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 O 1 {2,S} - -//s00003657 -//1 C 0 {3,T} -//2 C 0 {3,S} -//3 C 0 {1,T} {2,S} -// The GRI-Mech C3H7 species is a lumped species (1-C3H7 & 2-C3H7) - -s00003749 -1 C 0 {3,S} -2 C 0 {3,S} -3 C 0 {1,S} {2,S} - -s00009010 -//1 C 0 -// InChI cannot represent a carbon atom w/one hydrogen -1 C 3 - -s00009012 -//1 C 0 -// Not sure why InChI couldn't convert this to 1 C 2 -1 C 2S - -s00009015 -//1 C 0 -// Not sure why InChI couldn't convert this to 1 C 2 -1 C 2T - -//s00009065 -//1 C 0 {2,D} -//2 N 1 {1,D} -// No N in RMG yet - -s00009076 -1 C 0 {2,D} -2 O 0 {1,D} - -s00009089 -//1 C 0 -// Not sure why InChI couldn't convert this to 1 C 1 -1 C 1 - -s00009173 -1 C 0 {2,S} -2 O 1 {1,S} - -s00009174 -1 C 1 {2,S} -2 O 0 {1,S} - -s00009193 -1 C 0 - -s00009219 -1 C 0 {2,S} -2 O 0 {1,S} - -//s00009312 -//1 C 0 {2,T} -//2 N 0 {1,T} -// No N in RMG yet - -//s00009315 -//1 C 0 {3,T} -//2 N 0 {3,S} -//3 N 0 {1,T} {2,S} -// No N in RMG yet - -//s00009317 -//1 C 0 {2,D} {3,D} -//2 N 0 {1,D} -//3 O 0 {1,D} -// No N in RMG yet - -//s00009318 -//1 C 0 {2,T} {3,S} -//2 N 0 {1,T} -//3 O 0 {1,S} - -//s00009319 -//1 C 0 {2,T} -//2 N 0 {1,T} {3,S} -//3 O 0 {2,S} -// No N in RMG yet - -s00009325 -1 C 1 {2,D} -2 O 0 {1,D} - -//s00009352 -//1 C 0 {2,T} {3,S} -//2 N 0 {1,T} -//3 O 1 {1,S} -// No N in RMG yet - -s00009358 -//1 C 0 {2,T} -//2 O 0 {1,T} -// RMG cannot handle oxygen w/a triple bond -1 C 2T {2,D} -2 O 0 {1,D} - -s00009360 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -s00009800 -//1 H 0 -// Not sure why InChI couldn't convert this to 1 H 1 -1 H 1 - -s00009809 -1 H 0 - -//s00009856 -//1 N 0 -// Not sure why InChI couldn't convert this to 1 N 1 -//1 N 1 -// No N in RMG yet - -s00009881 -1 O 0 - -s00009882 -1 O 0 {2,S} -2 O 0 {1,S} - -//s00009927 -//1 N 0 -// No N in RMG yet - -//s00010069 -//1 N 0 -// Not sure why InChI couldn't convert this to 1 N 2 -//1 N 2 -// No N in RMG yet - -//s00010071 -//1 N 0 {2,D} -//2 N 1 {1,D} -// No N in RMG yet - -//s00010076 -//1 N 0 {2,D} -//2 O 0 {1,D} -// No N in RMG yet - -s00010102 -//1 O 0 -// Not sure why InChI couldn't convert this to 1 O 1 -1 O 1 - -s00010103 -1 O 0 {2,S} -2 O 1 {1,S} - -//s00010227 -//1 N 0 -// InChI cannot handle nitrogen atom -//1 N 3 -// No N in RMG yet - -//s00010231 -//1 N 0 {2,T} -//2 N 0 {1,T} -// No N in RMG yet - -//s00010234 -//1 N 0 {2,D} -//2 N 0 {1,D} {3,D} -//3 O 0 {2,D} -// No N in RMG yet - -//s00010245 -//1 N 1 {2,D} -//2 O 0 {1,D} -// No N in RMG yet - -//s00010246 -//1 N 0 {2,D} {3,S} -//2 O 0 {1,D} -//3 O 1 {1,S} -// No N in RMG yet - -s00010285 -//1 O 0 -// Not sure why InChI couldn't convert this to 1 O 2 -1 O 2T - -s00010295 -1 O 1 {2,S} -2 O 1 {1,S} - -//s00010451 -//1 C 1 {2,T} -//2 N 0 {1,T} -// No N in RMG yet - -//s00010469 -//1 C 0 -// InChI cannot handle carbon atom -//1 C 4 -// This is a standard state for carbon (GR) \ No newline at end of file diff --git a/output/RMG_database/thermo_libraries/GRI-Mech3.0/InChI.txt b/output/RMG_database/thermo_libraries/GRI-Mech3.0/InChI.txt deleted file mode 100644 index 75e68266ed..0000000000 --- a/output/RMG_database/thermo_libraries/GRI-Mech3.0/InChI.txt +++ /dev/null @@ -1,54 +0,0 @@ -s00000049 InChI=1/Ar -s00000208 InChI=1/C -s00002295 InChI=1/C2H/c1-2/h1H -s00002305 InChI=1/C2H2/c1-2/h1-2H -s00002431 InChI=1/C2H2O/c1-2-3/h1H2 -s00002432 InChI=1/C2H2O/c1-2-3/h1,3H -s00002447 InChI=1/C2H3/c1-2/h1H,2H2 -s00002559 InChI=1/C2H3O/c1-2-3/h2H,1H2 -s00002577 InChI=1/C2H4/c1-2/h1-2H2 -s00002656 InChI=1/C2H4O/c1-2-3/h2H,1H3 -s00002703 InChI=1/C2H5/c1-2/h1H2,2H3 -s00002784 InChI=1/C2H6/c1-2/h1-2H3 -s00003017 InChI=1/C2HO/c1-2-3/h1H -s00003657 InChI=1/C3H7/c1-3-2 -s00003749 InChI=1/C3H8/c1-3-2/h3H2,1-2H3 -s00009010 InChI=1/CH/h1H -s00009012 InChI=1/CH2/h1H2 -s00009015 InChI=1/CH2/h1H2 -s00009065 InChI=1/CH2N/c1-2/h1H2 -s00009076 InChI=1/CH2O/c1-2/h1H2 -s00009089 InChI=1/CH3/h1H3 -s00009173 InChI=1/CH3O/c1-2/h1H3 -s00009174 InChI=1/CH3O/c1-2/h2H,1H2 -s00009193 InChI=1/CH4/h1H4 -s00009219 InChI=1/CH4O/c1-2/h2H,1H3 -s00009312 InChI=1/CHN/c1-2/h1H -s00009315 InChI=1/CHN2/c1-3-2/h1H -s00009317 InChI=1/CHNO/c2-1-3/h2H -s00009318 InChI=1/CHNO/c2-1-3/h3H -s00009319 InChI=1/CHNO/c1-2-3/h1H -s00009325 InChI=1/CHO/c1-2/h1H -s00009352 InChI=1/CNO/c2-1-3 -s00009358 InChI=1/CO/c1-2 -s00009360 InChI=1/CO2/c2-1-3 -s00009800 InChI=1/H -s00009809 InChI=1/H2/h1H -s00009856 InChI=1/H2N/h1H2 -s00009881 InChI=1/H2O/h1H2 -s00009882 InChI=1/H2O2/c1-2/h1-2H -s00009927 InChI=1/H3N/h1H3 -s00010069 InChI=1/HN/h1H -s00010071 InChI=1/HN2/c1-2/h1H -s00010076 InChI=1/HNO/c1-2/h1H -s00010102 InChI=1/HO/h1H -s00010103 InChI=1/HO2/c1-2/h1H -s00010227 InChI=1/N -s00010231 InChI=1/N2/c1-2 -s00010234 InChI=1/N2O/c1-2-3 -s00010245 InChI=1/NO/c1-2 -s00010246 InChI=1/NO2/c2-1-3 -s00010285 InChI=1/O -s00010295 InChI=1/O2/c1-2 -s00010451 InChI=1/CN/c1-2 -s00010469 InChI=1/C diff --git a/output/RMG_database/thermo_libraries/GRI-Mech3.0/Library.txt b/output/RMG_database/thermo_libraries/GRI-Mech3.0/Library.txt deleted file mode 100644 index aa903c9885..0000000000 --- a/output/RMG_database/thermo_libraries/GRI-Mech3.0/Library.txt +++ /dev/null @@ -1,67 +0,0 @@ -//Library.txt -// version 1.0 - -//This file contains PrIMe-recommended thermochemistry data as of 01-Jul-2009 16:47:18 -//All data was converted from NASA-7 polynomial format (unless otherwise noted) -//All uncertainty values were assigned values of 0.0 - -//Name Hf298 S298 Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 dH dS dCp Notes - -//Units -//H: kcal/mol -//S and Cp: cal/mol/K - -//s00000049 -0.00074513 36.9756 4.9675 4.9675 4.9675 4.9675 4.9675 4.9675 4.9675 0.0 0.0 0.0 Neither TRange included 298K! -s00000208 171.2713 37.7801 4.9798 4.9734 4.9715 4.9711 4.9692 4.9691 4.9742 0.0 0.0 0.0 -s00002295 135.3102 50.9787 10.0485 10.5393 10.8828 11.1958 11.9369 12.6543 14.1032 0.0 0.0 0.0 -s00002305 54.5337 48.01 10.5476 12.0136 13.0765 13.8878 15.1592 16.2292 18.1726 0.0 0.0 0.0 -s00002431 -11.4012 57.7998 12.4027 14.2004 15.6747 16.8939 18.7914 20.2463 22.5514 0.0 0.0 0.0 -s00002432 18.7002 56.2443 13.9828 15.7658 17.0442 18.0315 19.6529 21.0031 23.2596 0.0 0.0 0.0 Neither TRange included 298K! -s00002447 71.6303 55.8909 10.2397 12.0282 13.7085 15.1698 17.3442 19.0697 21.8125 0.0 0.0 0.0 -s00002559 5.997 63.9953 13.1758 15.1461 16.9608 18.5959 21.3009 23.3432 26.3517 0.0 0.0 0.0 Neither TRange included 298K! -s00002577 12.5449 52.4085 10.2892 12.5808 14.8838 16.9528 20.0509 22.4865 26.3011 0.0 0.0 0.0 -s00002656 -39.718 63.073 13.265 15.7804 18.2902 20.5798 24.1643 26.911 30.9565 0.0 0.0 0.0 -s00002703 28.3551 59.0506 12.1085 14.5881 17.0748 19.349 22.9308 25.7757 30.295 0.0 0.0 0.0 -s00002784 -20.0407 54.7727 12.5989 15.5691 18.5786 21.3595 25.8037 29.3182 34.8751 0.0 0.0 0.0 -s00003017 42.3961 58.9514 11.6001 12.9016 13.8887 14.6586 15.815 16.6647 17.9598 0.0 0.0 0.0 Neither TRange included 298K! -//s00003657 24.015 69.1684 17.1078 21.4877 25.3883 28.777 34.1116 38.1246 44.2245 0.0 0.0 0.0 Neither TRange included 298K! -s00003749 -24.8216 64.5594 17.6729 22.488 26.8645 30.7445 37.0108 41.7294 48.8319 0.0 0.0 0.0 Neither TRange included 298K! -s00009010 142.7507 43.7385 6.9722 6.9853 7.0277 7.1072 7.3738 7.7111 8.5599 0.0 0.0 0.0 -s00009012 102.7344 45.2159 8.0767 8.3274 8.6613 9.0402 9.8277 10.5707 11.8972 0.0 0.0 0.0 -s00009015 93.759 46.4583 8.3744 8.7312 9.0805 9.4126 10.0265 10.6563 11.8659 0.0 0.0 0.0 -//s00009065 59.1066 53.5877 9.1619 10.3151 11.4244 12.4654 14.2394 15.4197 17.1343 0.0 0.0 0.0 Neither TRange included 298K! -s00009076 -25.9497 52.2757 8.4703 9.3623 10.4367 11.524 13.3741 14.8153 17.0067 0.0 0.0 0.0 -s00009089 35.1048 46.3598 9.1952 9.9751 10.7531 11.5019 12.8632 14.0828 16.2904 0.0 0.0 0.0 -s00009173 3.8949 54.5988 9.0791 10.7854 12.432 13.9755 16.6291 18.5968 21.5101 0.0 0.0 0.0 Neither TRange included 298K! -s00009174 -3.4975 58.286 11.5842 12.9049 14.1314 15.2327 17.0407 18.4987 20.9633 0.0 0.0 0.0 -s00009193 -17.8292 44.5349 8.5461 9.686 11.1112 12.6016 15.2944 17.593 21.6069 0.0 0.0 0.0 -s00009219 -48.0222 57.3045 10.5521 12.2835 14.2254 16.0912 19.0716 21.4265 25.1953 0.0 0.0 0.0 -//s00009312 31.2611 48.2276 8.5853 9.3626 9.9746 10.4771 11.3044 12.0051 13.1955 0.0 0.0 0.0 -//s00009315 110.4361 59.7661 11.7637 13.0971 14.1362 14.9562 16.1623 17.0055 18.2178 0.0 0.0 0.0 Neither TRange included 298K! -//s00009317 -28.22 57.5248 11.1305 12.2284 13.218 14.0994 15.5453 16.8291 17.9957 0.0 0.0 0.0 Neither TRange included 298K! -//s00009318 -2.8221 57.8538 11.081 12.0406 12.8977 13.6585 14.9174 16.1235 17.2462 0.0 0.0 0.0 Neither TRange included 298K! -//s00009319 40.8726 57.9949 11.2117 12.586 13.7252 14.6656 16.0776 17.3086 18.37 0.0 0.0 0.0 Neither TRange included 298K! -s00009325 10.0359 53.6078 8.2736 8.7177 9.2417 9.78 10.7402 11.4859 12.5894 0.0 0.0 0.0 -//s00009352 31.4954 55.5305 9.6022 10.4921 11.2263 11.8335 12.7501 13.3444 14.0726 0.0 0.0 0.0 -s00009358 -26.4155 47.2322 6.9646 7.02 7.1241 7.2685 7.622 7.9253 8.4148 0.0 0.0 0.0 -s00009360 -94.0423 51.0868 8.8944 9.8646 10.6635 11.3172 12.2908 12.9818 13.9559 0.0 0.0 0.0 -s00009800 52.0965 27.4128 4.9675 4.9675 4.9675 4.9675 4.9675 4.9675 4.9675 0.0 0.0 0.0 -s00009809 -0.0010521 31.2263 6.8947 6.9967 7.0015 6.9912 7.0775 7.2085 7.7142 0.0 0.0 0.0 -//s00009856 45.8949 46.596 8.0942 8.3088 8.6017 8.9411 9.6723 10.4063 11.8559 0.0 0.0 0.0 -s00009881 -57.7928 45.1219 8.0289 8.1893 8.4154 8.6799 9.2564 9.8687 11.3017 0.0 0.0 0.0 -s00009882 -32.4741 56.0421 10.1468 11.0801 11.9818 12.7799 13.9821 14.9309 16.604 0.0 0.0 0.0 -//s00009927 -10.9701 46.0646 8.5315 9.2368 10.0361 10.8347 12.2487 13.5096 15.8722 0.0 0.0 0.0 -//s00010069 85.2952 43.3053 6.9764 6.9777 6.9982 7.0454 7.2242 7.4742 8.0656 0.0 0.0 0.0 -//s00010071 59.6283 53.6481 8.2915 8.7969 9.3698 9.9216 10.7975 11.4748 12.4736 0.0 0.0 0.0 -//s00010076 25.3925 52.7907 8.1018 8.4776 8.9841 9.5359 10.5665 11.4163 13.2067 0.0 0.0 0.0 -s00010102 9.4021 43.9063 7.1402 7.0675 7.0458 7.0581 7.1493 7.3353 7.8741 0.0 0.0 0.0 -s00010103 2.9984 54.7475 8.3476 8.8852 9.4641 9.9944 10.7704 11.3791 12.4826 0.0 0.0 0.0 -//s00010227 112.9602 36.6336 4.9675 4.9675 4.9675 4.9675 4.9675 4.9674 4.9718 0.0 0.0 0.0 -//s00010231 -0.00069005 45.7646 6.9485 7.0068 7.0824 7.1901 7.5026 7.8294 8.3178 0.0 0.0 0.0 Neither TRange included 298K! -//s00010234 19.4994 52.574 9.2514 10.2062 10.9663 11.5845 12.535 13.1973 14.1027 0.0 0.0 0.0 -//s00010245 21.8094 50.3605 7.1356 7.1606 7.2872 7.4644 7.8324 8.1228 8.5354 0.0 0.0 0.0 -//s00010246 8.1701 57.3913 8.8983 9.6673 10.424 11.0924 12.0469 12.6693 13.4292 0.0 0.0 0.0 -s00010285 59.547 38.4879 5.2338 5.1292 5.0777 5.0517 5.0156 5.0005 4.9819 0.0 0.0 0.0 -s00010295 -0.0010244 49.0236 7.0233 7.1986 7.4285 7.6673 8.0656 8.3363 8.7407 0.0 0.0 0.0 -//s00010451 104.8354 48.4238 6.9683 7.0374 7.1588 7.3187 7.6883 7.9923 8.4849 0.0 0.0 0.0 -//s00010469 -0.00030853 1.3692 2.0532 2.8275 3.4882 4.0233 4.7402 5.1678 5.7015 0.0 0.0 0.0 \ No newline at end of file diff --git a/output/RMG_database/thermo_libraries/GRI-Mech3.0/adjList_output.txt b/output/RMG_database/thermo_libraries/GRI-Mech3.0/adjList_output.txt deleted file mode 100644 index d473d54114..0000000000 --- a/output/RMG_database/thermo_libraries/GRI-Mech3.0/adjList_output.txt +++ /dev/null @@ -1,214 +0,0 @@ -s00000049 -1 Ar 0 - -s00000208 -1 C 0 - -s00002295 -1 C 0 {2,T} -2 C 1 {1,T} - -s00002305 -1 C 0 {2,T} -2 C 0 {1,T} - -s00002431 -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -s00002432 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 O 0 {2,S} - -s00002447 -1 C 1 {2,D} -2 C 0 {1,D} - -s00002559 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 1 {2,S} - -s00002577 -1 C 0 {2,D} -2 C 0 {1,D} - -s00002656 -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -s00002703 -1 C 1 {2,S} -2 C 0 {1,S} - -s00002784 -1 C 0 {2,S} -2 C 0 {1,S} - -s00003017 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 O 1 {2,S} - -s00003657 -1 C 0 {3,T} -2 C 0 {3,S} -3 C 0 {1,T} {2,S} - -s00003749 -1 C 0 {3,S} -2 C 0 {3,S} -3 C 0 {1,S} {2,S} - -s00009010 -1 C 0 - -s00009012 -1 C 0 - -s00009015 -1 C 0 - -s00009065 -1 C 0 {2,D} -2 N 1 {1,D} - -s00009076 -1 C 0 {2,D} -2 O 0 {1,D} - -s00009089 -1 C 0 - -s00009173 -1 C 0 {2,S} -2 O 1 {1,S} - -s00009174 -1 C 1 {2,S} -2 O 0 {1,S} - -s00009193 -1 C 0 - -s00009219 -1 C 0 {2,S} -2 O 0 {1,S} - -s00009312 -1 C 0 {2,T} -2 N 0 {1,T} - -s00009315 -1 C 0 {3,T} -2 N 0 {3,S} -3 N 0 {1,T} {2,S} - -s00009317 -1 C 0 {2,D} {3,D} -2 N 0 {1,D} -3 O 0 {1,D} - -s00009318 -1 C 0 {2,T} {3,S} -2 N 0 {1,T} -3 O 0 {1,S} - -s00009319 -1 C 0 {2,T} -2 N 0 {1,T} {3,S} -3 O 0 {2,S} - -s00009325 -1 C 1 {2,D} -2 O 0 {1,D} - -s00009352 -1 C 0 {2,T} {3,S} -2 N 0 {1,T} -3 O 1 {1,S} - -s00009358 -1 C 0 {2,T} -2 O 0 {1,T} - -s00009360 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -s00009800 -1 H 0 - -s00009809 -1 H 0 - -s00009856 -1 N 0 - -s00009881 -1 O 0 - -s00009882 -1 O 0 {2,S} -2 O 0 {1,S} - -s00009927 -1 N 0 - -s00010069 -1 N 0 - -s00010071 -1 N 0 {2,D} -2 N 1 {1,D} - -s00010076 -1 N 0 {2,D} -2 O 0 {1,D} - -s00010102 -1 O 0 - -s00010103 -1 O 0 {2,S} -2 O 1 {1,S} - -s00010227 -1 N 0 - -s00010231 -1 N 0 {2,T} -2 N 0 {1,T} - -s00010234 -1 N 0 {2,D} -2 N 0 {1,D} {3,D} -3 O 0 {2,D} - -s00010245 -1 N 1 {2,D} -2 O 0 {1,D} - -s00010246 -1 N 0 {2,D} {3,S} -2 O 0 {1,D} -3 O 1 {1,S} - -s00010285 -1 O 0 - -s00010295 -1 O 1 {2,S} -2 O 1 {1,S} - -s00010451 -1 C 1 {2,T} -2 N 0 {1,T} - -s00010469 -1 C 0 - diff --git a/output/RMG_database/thermo_libraries/GRI-Mech3.0/cellArrays.mat b/output/RMG_database/thermo_libraries/GRI-Mech3.0/cellArrays.mat deleted file mode 100644 index ec17922f1a3435c32ef2ef83bc4c9fffaa47aba5..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 13889 zcmb8V=T{To`~58ng3`N4Q+gAS-lHN#stSnG0@4(aP^BkGRS*%7ULqn@DT4G8dJ~8u z5|9#lga82o3F$vR@9(<*fP2=NHFM5+HZyC__1f3Aylrc7`_46WMdfRjw{35DJ@@le zxOU&qEyN2H^g`#_eM9?uRtnb)gFM|rJUy;~{B^F`pIyyD{jMqBymnJVM@>uTrph%H 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-for counter = 0:10889 - foundRecThermo = true; - %Attempt to grab the link to the PrIMe recommended thermo file - try - primeThermoObj0 = gate2primeData('get',... - {int2PrIMeID(counter,'s'),'thp00000000'}); - catch - foundRecThermo = false; - end - if (foundRecThermo && ~isempty(primeThermoObj0)) - numGSSpecies = numGSSpecies + 1; - %Determine which thermo data file is the recommended file - recThermo = getField(primeThermoObj0.node, ... - 'speciesLink.thermodynamicPolynomialsLink._primeID'); - %Grab the actual recommended thermo file - primeThermoObj = gate2primeData('get',... - {int2PrIMeID(counter,'s'),char(recThermo)}); - %Grab all thermo polynomials and their valid range - thermoPolys = getPolynomials(primeThermoObj); - %Fill a cell array with thermodynamic information for each species - GoldStarThermo{numGSSpecies,1} = int2PrIMeID(counter,'s'); - %Loop over the number of thermo polynomial sets - for numPolySets = 1:length(thermoPolys) - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+2} = ... - thermoPolys(numPolySets).Tmin.value; - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+3} = ... - thermoPolys(numPolySets).Tmin.units; - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+4} = ... - thermoPolys(numPolySets).Tmax.value; - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+5} = ... - thermoPolys(numPolySets).Tmax.units; - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+6} = ... - thermoPolys(numPolySets).poly.a1; - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+7} = ... - thermoPolys(numPolySets).poly.a2; - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+8} = ... - thermoPolys(numPolySets).poly.a3; - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+9} = ... - thermoPolys(numPolySets).poly.a4; - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+10} = ... - thermoPolys(numPolySets).poly.a5; - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+11} = ... - thermoPolys(numPolySets).poly.a6; - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+12} = ... - thermoPolys(numPolySets).poly.a7; - end - %Grab the PrIMe species obj - primeSpeciesObj = gate2primeData('get',{int2PrIMeID(counter,'s')}); - GoldStarThermo{numGSSpecies,24] = getInChI(primeSpeciesObj); - end -end - -return - -function [PrIMeID] = int2PrIMeID(integer, primeIDtype) -%int2PrIMeID.m - -PrIMeID = primeIDtype; -if (integer >= 0 && integer < 1e8) - if (integer < 1e1) - PrIMeID = strcat(PrIMeID, '0000000', int2str(integer)); - elseif (integer < 1e2) - PrIMeID = strcat(PrIMeID, '000000', int2str(integer)); - elseif (integer < 1e3) - PrIMeID = strcat(PrIMeID, '00000', int2str(integer)); - elseif (integer < 1e4) - PrIMeID = strcat(PrIMeID, '0000', int2str(integer)); - elseif (integer < 1e5) - PrIMeID = strcat(PrIMeID, '000', int2str(integer)); - elseif (integer < 1e6) - PrIMeID = strcat(PrIMeID, '00', int2str(integer)); - elseif (integer < 1e7) - PrIMeID = strcat(PrIMeID, '0', int2str(integer)); - else - PrIMeID = strcat(PrIMeID, int2str(integer)); - end -else - disp('Error: value2PrIMeID.m requires an integer >= 0 and < 1e8'); -end - -return; \ No newline at end of file diff --git a/output/RMG_database/thermo_libraries/GRI-Mech3.0/readme.txt b/output/RMG_database/thermo_libraries/GRI-Mech3.0/readme.txt deleted file mode 100644 index c7b60d7b49..0000000000 --- a/output/RMG_database/thermo_libraries/GRI-Mech3.0/readme.txt +++ /dev/null @@ -1,79 +0,0 @@ -7-Jul-2009 (MRH) - -folder: $RMG/databases/RMG_database/thermo/GRI-Mech3.0 - -This folder contains the following files (in addition to this readme.txt file): - -- constructRMGPrimaryThermoLibrary_PrIMe.m - This is the main MATLAB function. Running this program will mine the PrIMe Warehouse species - catalog for all recommended thermodynamic polynomials (thp00000000.xml) files. Note that - the PrIMe GUI ReactionLab must be open for this program to run properly (invoked by typing - >> primekinetics at the Command Window). - -- extractRecommendedPolys.m - This function is called by the main MATLAB function. The purpose of this function is to mine - the PrIMe species catalog for all species with thp00000000.xml files and extract the - important information. This function requires no inputs and outputs a cell array, - containing the following information for each species in the PrIMe species catalog that - has recommended thermodynamic polynomials: - * PrIMe species ID - * NASA-7 formatted thermodynamic polynomials, including the lower and upper temperature bound - (w/units) - * InChI string (if available) - An example output from this function is located in the cellArrays.mat file: GoldStarThermo - -- convertNASA2RMG.m - This function is called by the main MATLAB function. The purpose of this function is to - convert the NASA-7 polynomials into RMG-readable thermodynamic data. This function - requires the cell array output from extractRecommendedPolys.m as input and outputs its - own cell array, containing the following information for each each species in the PrIMe - species catalog that has recommended thermodynamic polynomials: - * PrIMe species ID - * InChI string (if available) - * Hf298 (kcal/mol) - * S298 (cal/mol/K) - * Cp300, Cp400, Cp500, Cp600, Cp800, Cp1000, Cp1500 (cal/mol/K) - * Other information (e.g. When neither of the NASA-7 polynomial's valid temperature range - contains 298K, troublesome for computing Hf298 and S298) - An example output from this function is located in the cellArray.mat file: GoldStarRMG - -- writePrimaryThermoLibraryFiles.m - This function is called by the main MATLAB function. The purpose of this function is to - write the RMG-required Library.txt and Dictionary.txt files that must be present for - any PrimaryThermoLibrary. This function requires the cell array output from - convertNASA2RMG.m as input; there is no output, but two files (Library.txt and InChI.txt) - are written. - -- cellArrays.mat - File contains 2 cell arrays, GoldStarThermo and GoldStarRMG. These are example outputs from - the functions extractRecommendedPolys.m and convertNASA2RMG.m, respectively. - -- Library.txt - This file contains a list of species and their RMG-readable thermodynamic values. A species - is labeled with its PrIMe species ID (e.g. s00009015), as this is PrIMe's unique - species identifier. - -- InChI.txt - This file contains a list of species and their InChI strings. A species is labeled with its - PrIMe species ID. This file is fed to the RMG module InChI2AdjList.java, present in the - default package of the RMG software, in order to construct an adjacency list for each - species present in Library.txt - -- adjList_output.txt - This file is the output from feeding InChI.txt to InChI2AdjList.java. It contains a list of - species, identified by their PrIMe species ID, and their adjacency list. This is the - exact output from the RMG module. - -- Dictionary.txt - This file contains the same information as adjList_output.txt, with some minor corrections - by MRH. The corrections include: - * Commenting out all Nitrogen-containing species (since RMG does not recognize N) - * Commenting out the C3H7 species (since the GRI-Mech 3.0 C3H7 species is a lumped species - of 1-C3H7 and 2-C3H7) - * Commenting out Argon (since RMG does not recognize Ar) - * Correcting some of the adjacency lists, e.g. CH3, CH2(S), CH2, OH, and O. The InChI - executable does not label these as radicals (using the M RAD tag near the bottom of - the .mol file). Rather, it labels the bonds to the heavy atoms. MRH has not updated - the Java source code to handle this yet. - -Together, Dictionary.txt and Library.txt make up a new PrimaryThermoLibrary: GRI-Mech3.0 \ No newline at end of file diff --git a/output/RMG_database/thermo_libraries/GRI-Mech3.0/writePrimaryThermoLibraryFiles.m b/output/RMG_database/thermo_libraries/GRI-Mech3.0/writePrimaryThermoLibraryFiles.m deleted file mode 100644 index 01c5173ae0..0000000000 --- a/output/RMG_database/thermo_libraries/GRI-Mech3.0/writePrimaryThermoLibraryFiles.m +++ /dev/null @@ -1,45 +0,0 @@ -function writePrimaryThermoLibraryFiles(dataArray_RMG) -%writePrimaryThermoLibraryFiles.m - -%Open a text file -fidLibrary = fopen('Library.txt','wt'); -fidInChI = fopen('InChI.txt','wt'); - -fprintf(fidLibrary,'//Library.txt\n' + ... - '//\tversion 1.0\n\n' + ... - '//This file contains PrIMe-recommended thermochemistry data ' + ... - 'as of ' + datestr(now) + '\n' + ... - '//All data was converted from NASA-7 polynomial format' + ... - ' (unless otherwise noted)\n' + ... - '//All uncertainty values were assigned values of 0.0\n\n' + ... - '//Name\tHf298\tS298\tCp300\tCp400\tCp500\tCp600\tCp800\t' + ... - 'Cp1000\tCp1500\tdH\tdS\tdCp\tNotes\n\n' + ... - '//Units\n' + ... - '//H: kcal/mol\n' + ... - '//S and Cp: cal/mol/K\n\n'); -%Loop over all "Gold Star" species -sizeCell = size(dataArray_RMG); -for numGSSpecies = 1:sizeCell(1) - %The primeID string (for now) will be the "Group" name - fprintf(fidLibrary,dataArray_RMG{numGSSpecies,1} + '\t'); - %Fill in the thermodynamic (H, S, Cp's) data - for numParams = 1:9 - fprintf(fidLibrary,... - num2str(dataArray_RMG{numGSSpecies,numParams+2}) + '\t'); - end - %Fill in the dH, dS, and dCP values (set to zero) - fprintf(fidLibrary,'0.0\t0.0\t0.0\t'); - %Comment where the data came from - if ~isempty(dataArray_RMG{numGSSpecies,12}) - fprintf(fidLibrary,dataArray_RMG{numGSSpecies,12}); - end - fprintf(fidLibrary,'\n'); - - fprintf(fidInChI,dataArray_RMG{numGSSpecies,1} + '\t' + ... - dataArray_RMG{numGSSpecies,2} + '\n'); -end - -fclose(fidLibrary); -fclose(fidInChI); - -return \ No newline at end of file diff --git a/output/RMG_database/thermo_libraries/KlippensteinH2O2/Dictionary.txt b/output/RMG_database/thermo_libraries/KlippensteinH2O2/Dictionary.txt deleted file mode 100644 index 86d7768751..0000000000 --- a/output/RMG_database/thermo_libraries/KlippensteinH2O2/Dictionary.txt +++ /dev/null @@ -1,49 +0,0 @@ -H -1 H 1 - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -O -1 O 2T - -OH -1 O 1 - -H2O -1 O 0 - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - -HO2 -1 O 0 {2,S} -2 O 1 {1,S} - -H2O2 -1 O 0 {2,S} -2 O 0 {1,S} - -//N2 -//1 N 0 {2,T} -//2 N 0 {1,T} -// No N in RMG yet - -//Ar -//1 Ar 0 -// RMG does not recognize Ar - -//He -//1 He 0 -// RMG does not recognize He - -CO -1 C 2T {2,D} -2 O 0 {1,D} - -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} \ No newline at end of file diff --git a/output/RMG_database/thermo_libraries/KlippensteinH2O2/Library.txt b/output/RMG_database/thermo_libraries/KlippensteinH2O2/Library.txt deleted file mode 100644 index 3f2e829a58..0000000000 --- a/output/RMG_database/thermo_libraries/KlippensteinH2O2/Library.txt +++ /dev/null @@ -1,82 +0,0 @@ -// Library.txt file for $RMG/databases/RMG_database/thermo_libraries directory -// for Klippenstein H2/O2 mechanism -//! M.P. Burke, M. Chaos, Y. Ju, F.L. Dryer, S.J. Klippenstein -//! "Comprehensive H2/O2 Kinetic Model for High-Pressure Combustion," -//! Int. J. Chem. Kinet. (2011). - -//Name Hf298 S298 Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 dH dS dCp Notes - -//Units -//H: kcal/mol -//S and Cp: cal/mol/K - -H 5.21E+01 2.74E+01 4.97E+00 4.97E+00 4.97E+00 4.97E+00 4.97E+00 4.97E+00 4.97E+00 0.0 0.0 0.0 Neither TRange included 298K! -H2 -4.50E-04 3.12E+01 6.90E+00 6.96E+00 7.00E+00 7.02E+00 7.07E+00 7.21E+00 7.73E+00 0.0 0.0 0.0 Neither TRange included 298K! -O 5.96E+01 3.85E+01 5.23E+00 5.14E+00 5.08E+00 5.05E+00 5.02E+00 5.00E+00 4.98E+00 0.0 0.0 0.0 Neither TRange included 298K! -OH 8.90E+00 4.39E+01 7.16E+00 7.08E+00 7.05E+00 7.06E+00 7.15E+00 7.33E+00 7.87E+00 0.0 0.0 0.0 -H2O -5.78E+01 4.51E+01 8.00E+00 8.23E+00 8.44E+00 8.67E+00 9.22E+00 9.87E+00 1.13E+01 0.0 0.0 0.0 Neither TRange included 298K! -O2 -1.25E-03 4.90E+01 7.01E+00 7.22E+00 7.44E+00 7.65E+00 8.07E+00 8.35E+00 8.72E+00 0.0 0.0 0.0 Neither TRange included 298K! -HO2 3.00E+00 5.47E+01 8.35E+00 8.89E+00 9.46E+00 9.99E+00 1.08E+01 1.14E+01 1.25E+01 0.0 0.0 0.0 -H2O2 -3.25E+01 5.56E+01 1.04E+01 1.14E+01 1.23E+01 1.31E+01 1.43E+01 1.52E+01 1.68E+01 0.0 0.0 0.0 Neither TRange included 298K! -CO -2.64E+01 4.72E+01 6.95E+00 7.03E+00 7.14E+00 7.27E+00 7.61E+00 7.95E+00 8.41E+00 0.0 0.0 0.0 Neither TRange included 298K! -CO2 -9.41E+01 5.11E+01 8.91E+00 9.86E+00 1.07E+01 1.13E+01 1.23E+01 1.30E+01 1.39E+01 0.0 0.0 0.0 Neither TRange included 298K! - -//!********************************************************************************* -// -//THERMO ALL -//0300.00 1000.00 5000.00 -//H 120186H 1 G 0300.00 5000.00 1000.00 1 -// 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -// 0.02547163E+06-0.04601176E+01 0.02500000E+02 0.00000000E+00 0.00000000E+00 3 -// 0.00000000E+00 0.00000000E+00 0.02547163E+06-0.04601176E+01 4 -//H2 121286H 2 G 0300.00 5000.00 1000.00 1 -// 0.02991423E+02 0.07000644E-02-0.05633829E-06-0.09231578E-10 0.01582752E-13 2 -//-0.08350340E+04-0.01355110E+02 0.03298124E+02 0.08249442E-02-0.08143015E-05 3 -//-0.09475434E-09 0.04134872E-11-0.01012521E+05-0.03294094E+02 4 -//O 120186O 1 G 0300.00 5000.00 1000.00 1 -// 0.02542060E+02-0.02755062E-03-0.03102803E-07 0.04551067E-10-0.04368052E-14 2 -// 0.02923080E+06 0.04920308E+02 0.02946429E+02-0.01638166E-01 0.02421032E-04 3 -//-0.01602843E-07 0.03890696E-11 0.02914764E+06 0.02963995E+02 4 -//OH S 9/01O 1H 1 0 0G 200.000 6000.000 1000. 1 -// 2.86472886E+00 1.05650448E-03-2.59082758E-07 3.05218674E-11-1.33195876E-15 2 -// 3.68362875E+03 5.70164073E+00 4.12530561E+00-3.22544939E-03 6.52764691E-06 3 -//-5.79853643E-09 2.06237379E-12 3.34630913E+03-6.90432960E-01 4.51532273E+03 4 -//H2O 20387H 2O 1 G 0300.00 5000.00 1000.00 1 -// 0.02672146E+02 0.03056293E-01-0.08730260E-05 0.01200996E-08-0.06391618E-13 2 -//-0.02989921E+06 0.06862817E+02 0.03386842E+02 0.03474982E-01-0.06354696E-04 3 -// 0.06968581E-07-0.02506588E-10-0.03020811E+06 0.02590233E+02 4 -//O2 121386O 2 G 0300.00 5000.00 1000.00 1 -// 0.03697578E+02 0.06135197E-02-0.01258842E-05 0.01775281E-09-0.01136435E-13 2 -//-0.01233930E+05 0.03189166E+02 0.03212936E+02 0.01127486E-01-0.05756150E-05 3 -// 0.01313877E-07-0.08768554E-11-0.01005249E+05 0.06034738E+02 4 -//HO2 L 5/89H 1O 2 00 00G 200.000 3500.000 1000.000 1 -// 4.01721090E+00 2.23982013E-03-6.33658150E-07 1.14246370E-10-1.07908535E-14 2 -// 1.11856713E+02 3.78510215E+00 4.30179801E+00-4.74912051E-03 2.11582891E-05 3 -//-2.42763894E-08 9.29225124E-12 2.94808040E+02 3.71666245E+00 1.00021620E+04 4 -//H2O2 120186H 2O 2 G 0300.00 5000.00 1000.00 1 -// 0.04573167E+02 0.04336136E-01-0.01474689E-04 0.02348904E-08-0.01431654E-12 2 -//-0.01800696E+06 0.05011370E+01 0.03388754E+02 0.06569226E-01-0.01485013E-05 3 -//-0.04625806E-07 0.02471515E-10-0.01766315E+06 0.06785363E+02 4 -//N2 121286N 2 G 0300.00 5000.00 1000.00 1 -// 0.02926640E+02 0.01487977E-01-0.05684761E-05 0.01009704E-08-0.06753351E-13 2 -//-0.09227977E+04 0.05980528E+02 0.03298677E+02 0.01408240E-01-0.03963222E-04 3 -// 0.05641515E-07-0.02444855E-10-0.01020900E+05 0.03950372E+02 4 -//AR 120186AR 1 G 0300.00 5000.00 1000.00 1 -// 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -//-0.07453750E+04 0.04366001E+02 0.02500000E+02 0.00000000E+00 0.00000000E+00 3 -// 0.00000000E+00 0.00000000E+00-0.07453750E+04 0.04366001E+02 4 -//HE 120186HE 1 G 0300.00 5000.00 1000.00 1 -// 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -//-0.07453750E+04 0.09153489E+01 0.02500000E+02 0.00000000E+00 0.00000000E+00 3 -// 0.00000000E+00 0.00000000E+00-0.07453750E+04 0.09153488E+01 4 -//CO 121286C 1O 1 G 0300.00 5000.00 1000.00 1 -// 0.03025078E+02 0.01442689E-01-0.05630828E-05 0.01018581E-08-0.06910952E-13 2 -//-0.01426835E+06 0.06108218E+02 0.03262452E+02 0.01511941E-01-0.03881755E-04 3 -// 0.05581944E-07-0.02474951E-10-0.01431054E+06 0.04848897E+02 4 -//CO2 121286C 1O 2 G 0300.00 5000.00 1000.00 1 -// 0.04453623E+02 0.03140169E-01-0.01278411E-04 0.02393997E-08-0.01669033E-12 2 -//-0.04896696E+06-0.09553959E+01 0.02275725E+02 0.09922072E-01-0.01040911E-03 3 -// 0.06866687E-07-0.02117280E-10-0.04837314E+06 0.01018849E+03 4 -//END -// -//!********************************************************************************* diff --git a/output/RMG_database/thermo_libraries/SolventLibrary/Library.txt b/output/RMG_database/thermo_libraries/SolventLibrary/Library.txt deleted file mode 100644 index 8444cddd73..0000000000 --- a/output/RMG_database/thermo_libraries/SolventLibrary/Library.txt +++ /dev/null @@ -1,40 +0,0 @@ -//Name c_g e_g s_g a_g b_g l_g c_h e_h s_h a_h b_h l_h B comments -benzene 0.107 -0.313 1.053 0.457 0.169 1.02 -4.637 4.446 -12.599 -9.775 -4.023 -8.488 0.0 -butanol -0.039 -0.276 0.539 3.781 0.995 0.934 -7.629 0.0 0.0 -50.806 -4.261 -8.507 0.0 -carbontet 0.282 -0.303 0.46 0 0 1.047 -6.441 3.517 -4.824 0.0 -7.045 -8.886 0.0 -chloroform 0.168 -0.595 1.256 0.28 1.37 0.981 -6.516 8.628 -13.956 -2.712 -17.334 -8.739 0.0 -cyclohexane 0.163 -0.11 0 0 0 1.013 -6.507 3.375 0.0 0.0 0.0 -9.078 0.0 -decane 0.156 -0.143 0 0 0 0.989 -6.708 2.999 0.0 0.0 0.0 -9.279 0.0 -dichloroethane 0.011 -0.15 1.436 0.649 0.736 0.936 -2.345 5.555 -18.328 -9.599 -7.101 -8.045 0.0 -dimethylformamide -0.174 -0.339 2.315 4.112 0 0.83 -4.324 0.0 -15.168 -42.211 -8.253 -7.118 0.0 -dimethylsulfoxide -0.59 -0.2 2.89 5.46 0 0.732 -2.546 -0.329 -18.448 -47.419 -5.861 -6.38 0.0 -dodecane 0.053 0 0 0 0 0.986 -6.708 2.999 0.0 0.0 0.0 -9.279 0.0 -ethanol 0.012 -0.206 0.789 3.635 1.311 0.853 -6.558 0.0 0.0 -48.600 -11.899 -8.298 0.0 -heptane 0.275 -0.162 0 0 0 0.983 -6.708 2.999 0.0 0.0 0.0 -9.279 0.0 -hexadecane 0 0 0 0 0 1 -6.708 2.999 0.0 0.0 0.0 -9.279 0.0 -hexane 0.292 -0.169 0 0 0 0.979 -6.708 2.999 0.0 0.0 0.0 -9.279 0.0 -isooctane 0.275 -0.244 0 0 0 0.972 -6.708 2.999 0.0 0.0 0.0 -9.279 0.0 -nonane 0.2 -0.145 0 0 0 0.98 -6.708 2.999 0.0 0.0 0.0 -9.279 0.0 -octane 0.215 -0.049 0 0 0 0.967 -6.708 2.999 0.0 0.0 0.0 -9.279 0.0 -octanol -0.12 -0.203 0.56 3.56 0.702 0.939 -6.49 -1.04 5.89 -53.99 -8.99 -9.18 0.45 -pentane 0.335 -0.276 0 0 0 0.968 -6.708 2.999 0.0 0.0 0.0 -9.279 0.0 -toluene 0.121 -0.222 0.938 0.467 0.099 1.012 -5.107 0.226 -11.339 -2.25 -6.984 -8.272 0.0 -undecane 0.113 0 0 0 0 0.971 -6.708 2.999 0.0 0.0 0.0 -9.279 0.0 -water -1.271 0.822 2.743 3.904 4.814 -0.213 -13.310 9.91 2.836 -32.010 41.816 -6.354 0.0 -dibutylether 0.369 -0.216 0.026 2.626 -0.499 1.124 -6.366 3.943 -5.105 -33.970 0.0 -9.325 0.0 -acetonitrile -0.007 -0.595 2.461 2.085 0.418 0.738 -4.148 3.304 -18.430 -26.104 -7.535 -6.727 0.0 -ethylacetate 0.203 -0.335 1.251 2.949 0 0.917 -7.063 4.671 -15.141 -28.763 0.0 -7.691 0.0 - -// carbondisulfide 0.101 0.251 0.177 0.027 0.095 1.068 -// chlorobenzene 0.053 -0.553 1.254 0.364 0 1.041 -// decanol -0.136 -0.068 0.325 3.674 0.767 0.947 -// diethylether 0.288 -0.347 0.775 2.985 0 0.973 -// heptanol -0.062 -0.168 0.429 3.541 1.181 0.927 -// hexanol -0.035 -0.298 0.626 3.726 0.729 0.936 -// isopropanol -0.06 -0.335 0.702 4.017 1.04 0.893 -// pentanol -0.042 -0.277 0.526 3.779 0.983 0.932 -// propanol -0.028 -0.185 0.648 4.022 1.043 0.869 -// secbutanol -0.136 -0.038 0.325 3.674 0.767 0.947 -// tetrahydrofuran 0.189 -0.347 1.238 3.289 0 0.982 -// nitrobenzene -0.295 0.121 1.682 1.247 0.37 0.915 -// diisopropylether 0.114 -0.032 0.685 3.108 0 0.94 \ No newline at end of file diff --git a/output/RMG_database/thermo_libraries/SulfurLibrary/Dictionary.txt b/output/RMG_database/thermo_libraries/SulfurLibrary/Dictionary.txt deleted file mode 100644 index 4e855613cd..0000000000 --- a/output/RMG_database/thermo_libraries/SulfurLibrary/Dictionary.txt +++ /dev/null @@ -1,980 +0,0 @@ -CS2 -1 C 0 {2,D} {3,D} -2 S 0 {1,D} -3 S 0 {1,D} - -CH2CS -1 C 0 {2,D} {3,D} -2 C 0 {1,D} -3 S 0 {1,D} - -H2S -1 S 0 - -H2S2 -1 S 0 {2,S} -2 S 0 {1,S} - -H2S3 -1 S 0 {2,S} {3,S} -2 S 0 {1,S} -3 S 0 {1,S} - -CH3SH -1 C 0 {2,S} -2 S 0 {1,S} - -CH3SCH3 -1 C 0 {2,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} - -C2H3SC2H3 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 C 0 {4,D} - -C2H3SC2H -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,T} -5 C 0 {4,T} - -C2H3SH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 S 0 {2,S} - -CH3SC2H3 -1 C 0 {2,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - -CH3SC2H -1 C 0 {2,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -HCSSH -1 C 0 {2,D} {3,S} -2 S 0 {1,D} -3 S 0 {1,S} - -HCSSCH3 -1 C 0 {2,D} {3,S} -2 S 0 {1,D} -3 S 0 {1,S} {4,S} -4 C 0 {3,S} - -HCSSC2H3 -1 C 0 {2,D} {3,S} -2 S 0 {1,D} -3 S 0 {1,S} {4,S} -4 C 0 {3,S} {5,D} -5 C 0 {4,D} - -HCSSC2H -1 C 0 {2,D} {3,S} -2 S 0 {1,D} -3 S 0 {1,S} {4,S} -4 C 0 {3,S} {5,T} -5 C 0 {4,T} - -HCSSCSH -1 C 0 {2,D} {3,S} -2 S 0 {1,D} -3 S 0 {1,S} {4,S} -4 C 0 {3,S} {5,D} -5 S 0 {4,D} - -HCSSSH -1 C 0 {2,D} {3,S} -2 S 0 {1,D} -3 S 0 {1,S} {4,S} -4 S 0 {3,S} - -C2H5SH -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 S 0 {2,S} - -allylthiol -1 S 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - -prop2yne1thiol -1 S 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -SHCH2SH -1 C 0 {2,S} {3,S} -2 S 0 {1,S} -3 S 0 {1,S} - -HCSCH2SH -1 C 0 {2,D} {3,S} -2 S 0 {1,D} -3 C 0 {1,S} {4,S} -4 S 0 {3,S} - -propane2thiol -1 C 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 S 0 {1,S} - -but1ene3thiol -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} {5,S} -4 C 0 {3,S} -5 S 0 {3,S} - -but1yne3thiol -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,S} {5,S} -4 C 0 {3,S} -5 S 0 {3,S} - -ethane11dithiol -1 C 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 S 0 {1,S} -4 S 0 {1,S} - -HCSCHCH3SH -1 C 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 S 0 {1,S} -4 C 0 {1,S} {5,D} -5 S 0 {4,D} - -t_butanethiol -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 S 0 {1,S} - -CH3CHS -1 C 0 {2,D} {3,S} -2 S 0 {1,D} -3 C 0 {1,S} - -HCSC2H5 -1 C 0 {2,D} {3,S} -2 S 0 {1,D} -3 C 0 {1,S} {4,S} -4 C 0 {3,S} - -propanethial2methyl -1 C 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} {5,D} -5 S 0 {4,D} - -propanethial22dimethyl -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {1,S} {6,D} -6 S 0 {5,D} - -propene2thiol -1 C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 C 0 {1,S} -4 S 0 {1,S} - -propenethial -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 S 0 {3,D} - -propynethial -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,D} -4 S 0 {3,D} - -ethanedithial -1 S 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 S 0 {3,D} - -propane2thione -1 C 0 {2,D} {3,S} {4,S} -2 S 0 {1,D} -3 C 0 {1,S} -4 C 0 {1,S} - -but3ene2thione -1 C 0 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 S 0 {2,D} -4 C 0 {2,S} {5,D} -5 C 0 {4,D} - -but3yne2thione -1 C 0 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 S 0 {2,D} -4 C 0 {2,S} {5,T} -5 C 0 {4,T} - -HCSCSCH3 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} {4,D} -3 C 0 {2,S} {5,D} -4 S 0 {2,D} -5 S 0 {3,D} - -C2HSC2H -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,T} -5 C 0 {4,T} - -C2HSH -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 S 0 {2,S} - -C2H3SSH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 S 0 {2,S} {4,S} -4 S 0 {3,S} - -CH3SSH -1 C 0 {2,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} - -C2HSSH -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 S 0 {2,S} {4,S} -4 S 0 {3,S} - -CH3SC2H5 -1 C 0 {2,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -isopropyl_methyl_sulfide -1 C 0 {2,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {5,S} -4 C 0 {3,S} -5 C 0 {3,S} - -tertbutyl_methyl_sulfide -1 C 0 {2,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {5,S} {6,S} -4 C 0 {3,S} -5 C 0 {3,S} -6 C 0 {3,S} - -allyl_methyl_sulfide -1 C 0 {2,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 C 0 {4,D} - -but1ene3thiomethyl -1 C 0 {2,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {6,S} -4 C 0 {3,S} {5,D} -5 C 0 {4,D} -6 C 0 {3,S} - -methyl_propargyl_sulfide -1 C 0 {2,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,T} -5 C 0 {4,T} - -but1yne3thiomethyl -1 C 0 {2,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {6,S} -4 C 0 {3,S} {5,T} -5 C 0 {4,T} -6 C 0 {3,S} - -propene2thiomethyl -1 C 0 {2,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 C 0 {3,D} -5 C 0 {3,S} - -CH3SSCH3 -1 C 0 {2,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} - -CH3SSC2H3 -1 C 0 {2,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 C 0 {4,D} - -CH3SSC2H -1 C 0 {2,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,T} -5 C 0 {4,T} - -CH3SSSH -1 C 0 {2,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 S 0 {3,S} - -CH3SSSCH3 -1 C 0 {2,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 S 0 {3,S} {5,S} -5 C 0 {4,S} - -CH2S -1 C 0 {2,D} -2 S 0 {1,D} - -CH3CSSH -1 C 0 {2,S} {3,S} {4,D} -2 C 0 {1,S} -3 S 0 {1,S} -4 S 0 {1,D} - -C2H3SC2H5 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} - -pent1ene3thia4methyl -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} {6,S} -5 C 0 {4,S} -6 C 0 {4,S} - -pent1ene3thia24dimethyl -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {7,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} {6,S} -5 C 0 {4,S} -6 C 0 {4,S} -7 C 0 {2,S} - -C2H3SC2CH3 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,T} -5 C 0 {4,T} {6,S} -6 C 0 {5,S} - -CH3SC2SH -1 C 0 {2,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} {5,S} -5 S 0 {4,S} - -penta14diene3thia24dimethyl -1 C 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 C 0 {2,S} -4 S 0 {2,S} {5,S} -5 C 0 {4,S} {6,D} {7,S} -6 C 0 {5,D} -7 C 0 {5,S} - -HCSSC2H2SCH3 -1 S 0 {2,D} -2 C 0 {1,D} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 C 0 {4,D} {6,S} -6 S 0 {5,S} {7,S} -7 C 0 {6,S} - -HCSSC2H5 -1 S 0 {2,D} -2 C 0 {1,D} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} - -CH3CSSC2H5 -1 C 0 {2,S} -2 C 0 {1,S} {3,D} {4,S} -3 S 0 {2,D} -4 S 0 {2,S} {5,S} -5 C 0 {4,S} {6,S} -6 C 0 {5,S} - -SHCSC2H5 -1 C 0 {2,D} {3,S} {4,S} -2 S 0 {1,D} -3 S 0 {1,S} -4 C 0 {1,S} {5,S} -5 C 0 {4,S} - -pent1ene4methyl3thione -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 S 0 {3,D} -5 C 0 {3,S} {6,S} {7,S} -6 C 0 {5,S} -7 C 0 {5,S} - -but-3-ene-2-thione-3-methyl -1 C 0 {2,S} {3,D} {4,S} -2 C 0 {1,S} {5,D} {6,S} -3 C 0 {1,D} -4 C 0 {1,S} -5 S 0 {2,D} -6 C 0 {2,S} - -prop-2-enethial-2-methyl -1 C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 C 0 {1,S} -4 C 0 {1,S} {5,D} -5 S 0 {4,D} - -pent-1-yne-3-thione -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,D} {5,S} -4 S 0 {3,D} -5 C 0 {3,S} {6,S} -6 C 0 {5,S} - -C2HSSCSH -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 S 0 {2,S} {4,S} -4 S 0 {3,S} {5,S} -5 C 0 {4,S} {6,D} -6 S 0 {5,D} - -butane-23-dithione -1 C 0 {2,S} {3,S} {4,D} -2 C 0 {1,S} {5,S} {6,D} -3 C 0 {1,S} -4 S 0 {1,D} -5 C 0 {2,S} -6 S 0 {2,D} - -tertbutyl_hydrodisulfide -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 S 0 {1,S} {6,S} -6 S 0 {5,S} - -methanetrithiol -1 C 0 {2,S} {3,S} {4,S} -2 S 0 {1,S} -3 S 0 {1,S} -4 S 0 {1,S} - -ethane-111-trithiol -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} -3 S 0 {1,S} -4 S 0 {1,S} -5 S 0 {1,S} - -propane-22-dithiol -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 S 0 {1,S} -5 S 0 {1,S} - -butane-22-dithiol -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} -3 C 0 {1,S} -4 S 0 {1,S} -5 S 0 {1,S} -6 C 0 {2,S} - -ethane-11-dithiol-1thiomethyl -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} -3 S 0 {1,S} -4 S 0 {1,S} -5 S 0 {1,S} {6,S} -6 C 0 {5,S} - -CS -1 C 2 {2,D} -2 S 0 {1,D} - -mercapto_rad -1 S 1 - -CH3Sj -1 S 1 {2,S} -2 C 0 {1,S} - -C2H3Sj -1 S 1 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} - -C2HSj -1 S 1 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} - -HCSSj -1 S 1 {2,S} -2 C 0 {1,S} {3,D} -3 S 0 {2,D} - -SHSj -1 S 1 {2,S} -2 S 0 {1,S} - -CH3SSj -1 S 1 {2,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} - -SHSSj -1 S 1 {2,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} - -CH2jSH -1 C 1 {2,S} -2 S 0 {1,S} - -CH3CHjSH -1 C 1 {2,S} {3,S} -2 C 0 {1,S} -3 S 0 {1,S} - -C2H3CHjSH -1 S 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - -C2HCHjSH -1 S 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -HCSCHjSH -1 S 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 S 0 {3,D} - -SHCHjSH -1 C 1 {2,S} {3,S} -2 S 0 {1,S} -3 S 0 {1,S} - -isopropyl-2-thiol -1 C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 S 0 {1,S} - -but-1-en-3-yl-3-thiol -1 C 1 {2,S} {3,S} {4,S} -2 S 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} {5,D} -5 C 0 {4,D} - -but-1-yn-3-yl-3-thiol -1 C 1 {2,S} {3,S} {4,S} -2 S 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} {5,T} -5 C 0 {4,T} - -propanethial-2-yl-2-thiol -1 C 1 {2,S} {3,S} {4,S} -2 S 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} {5,D} -5 S 0 {4,D} - -ethanyl-11-dithiol -1 C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 S 0 {1,S} -4 S 0 {1,S} - -ethenyl-1-thiol -1 C 1 {2,D} {3,S} -2 C 0 {1,D} -3 S 0 {1,S} - -//thioformyl -//1 C 1 {2,D} -//2 S 0 {1,D} - -thioacetyl -1 C 1 {2,S} {3,D} -2 C 0 {1,S} -3 S 0 {1,D} - -//SCjj (we're calling this CS, above..) -//1 S 0 {2,D} -//2 C 2 {1,D} - -Sjj -1 S 2 - -ethylthio -1 S 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} - -propyl-2-thio -1 C 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 S 1 {1,S} - -tert-butylthio -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 S 1 {1,S} - -CH3SCH2Sj -1 S 1 {2,S} -2 C 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} - -C2H3CH2Sj -1 S 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - -C2H3C2H2Sj -1 S 1 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} {5,D} -5 C 0 {4,D} - -propen-2-thio -1 C 0 {2,S} {3,S} {4,D} -2 S 1 {1,S} -3 C 0 {1,S} -4 C 0 {1,D} - -//This is the cis- version. -propen-1-thio -1 S 1 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} - -CH3SSSj -1 S 1 {2,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} - -CH3SCH2j -1 C 1 {2,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} - -CH3SSCH2j -1 C 1 {2,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} - -SHCH2SCH2j -1 C 1 {2,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 S 0 {3,S} - -CH3SCHjCH3 -1 C 0 {2,S} -2 S 0 {1,S} {3,S} -3 C 1 {2,S} {4,S} -4 C 0 {3,S} - -C2H5SCHjCH3 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 C 1 {3,S} {5,S} -5 C 0 {4,S} - -pentan-2-yl-2-methyl-3-thia -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 C 1 {3,S} {5,S} {6,S} -5 C 0 {4,S} -6 C 0 {4,S} - -hex-2-yn-4-yl-4-methyl-5-thia -1 C 0 {2,S} -2 S 0 {1,S} {3,S} -3 C 1 {2,S} {4,S} {5,S} -4 C 0 {3,S} -5 C 0 {3,S} {6,T} -6 C 0 {5,T} {7,S} -7 C 0 {6,S} - -propan-1-yl-1-thione -1 S 0 {2,D} -2 C 1 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -//S2 -//1 S 0 {2,D} -//2 S 0 {1,D} - -C2H5SC2H5 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} - -CH2JCH2SC2H5 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} - -CH3CHJSC2H5 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} - -CH2OHSH -1 C 0 {2,S} {3,S} -2 O 0 {1,S} -3 S 0 {1,S} - -CHCH3OHSH -1 C 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 O 0 {1,S} -4 S 0 {1,S} - -CH2OHSJ -1 C 0 {2,S} {3,S} -2 O 0 {1,S} -3 S 1 {1,S} - -CHCH3OHSJ -1 C 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 O 0 {1,S} -4 S 1 {1,S} - -CHOHS -1 C 0 {2,D} {3,S} -2 S 0 {1,D} -3 O 0 {1,S} - -CHOSH -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 S 0 {1,S} - -CHOSJ -1 C 0 {2,D} {3,S} -2 O 0 {1,D} -3 S 1 {1,S} - -COS -1 C 0 {2,D} {3,D} -3 S 0 {1,D} -2 O 0 {1,D} - -//CSOHOH -//1 C 0 {2,D} {3,S} {4,S} -//2 S 0 {1,D} -//3 O 0 {1,S} -//4 O 0 {1,S} - -//COSHOH -//1 C 0 {2,D} {3,S} {4,S} -//2 O 0 {1,D} -//3 S 0 {1,S} -//4 O 0 {1,S} - -thiophene -1 S 0 {2,S} {5,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} {5,D} -5 C 0 {4,D} {1,S} - -DHTP-2-ol -1 S 0 {2,S} {5,S} -2 C 0 {1,S} {3,D} {6,S} -3 C 0 {2,D} {4,S} -4 C 0 {3,S} {5,D} -5 C 0 {4,D} {1,S} -6 O 0 {2,S} - -DHTP-3-ol -1 S 0 {2,S} {5,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} {4,S} {6,S} -4 C 0 {3,S} {5,D} -5 C 0 {4,D} {1,S} -6 O 0 {3,S} - -benzaldehyde -1 C 0 {2,B} {6,B} -2 C 0 {1,B} {3,B} -3 C 0 {2,B} {4,B} -4 C 0 {3,B} {5,B} -5 C 0 {4,B} {6,B} -6 C 0 {5,B} {1,B} {7,S} -7 C 0 {6,S} {8,D} -8 O 0 {7,D} - -benzenethial -1 C 0 {2,B} {6,B} -2 C 0 {1,B} {3,B} -3 C 0 {2,B} {4,B} -4 C 0 {3,B} {5,B} -5 C 0 {4,B} {6,B} -6 C 0 {5,B} {1,B} {7,S} -7 C 0 {6,S} {8,D} -8 S 0 {7,D} - -PhCHOHSH -1 C 0 {2,B} {6,B} -2 C 0 {1,B} {3,B} -3 C 0 {2,B} {4,B} -4 C 0 {3,B} {5,B} -5 C 0 {4,B} {6,B} -6 C 0 {5,B} {1,B} {7,S} -7 C 0 {6,S} {8,S} {9,S} -8 S 0 {7,S} -9 O 0 {7,S} - -cyc-C6H10 -1 C 0 {2,D} {6,S} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 C 0 {1,S} {5,S} - -cyc-C6H9J-3 -1 C 0 {2,D} {6,S} -2 C 0 {1,D} {3,S} -3 C 1 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 C 0 {1,S} {5,S} - -cyc-C6H9J-4 -1 C 0 {2,D} {6,S} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,S} -4 C 1 {3,S} {5,S} -5 C 0 {4,S} {6,S} -6 C 0 {1,S} {5,S} - -cyc-C6H8 -1 C 0 {2,D} {6,S} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} {5,S} -5 C 0 {4,S} {6,S} -6 C 0 {1,S} {5,S} - -cyc-C6H7J -1 C 0 {2,D} {6,S} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} {5,S} -5 C 1 {4,S} {6,S} -6 C 0 {1,S} {5,S} - -benzene -1 C 0 {2,B} {6,B} -2 C 0 {1,B} {3,B} -3 C 0 {2,B} {4,B} -4 C 0 {3,B} {5,B} -5 C 0 {4,B} {6,B} -6 C 0 {1,B} {5,B} - -toluene -1 C 0 {2,B} {6,B} -2 C 0 {1,B} {3,B} -3 C 0 {2,B} {4,B} -4 C 0 {3,B} {5,B} -5 C 0 {4,B} {6,B} -6 C 0 {1,B} {5,B} {7,S} -7 C 0 {6,S} - -benzyl -1 C 0 {2,B} {6,B} -2 C 0 {1,B} {3,B} -3 C 0 {2,B} {4,B} -4 C 0 {3,B} {5,B} -5 C 0 {4,B} {6,B} -6 C 0 {1,B} {5,B} {7,S} -7 C 1 {6,S} - diff --git a/output/RMG_database/thermo_libraries/SulfurLibrary/Library.txt b/output/RMG_database/thermo_libraries/SulfurLibrary/Library.txt deleted file mode 100644 index 27c85d3002..0000000000 --- a/output/RMG_database/thermo_libraries/SulfurLibrary/Library.txt +++ /dev/null @@ -1,181 +0,0 @@ -//Thermo Library for Sulfur Compounds -//Last Updated 8/5/11 by cclass -// -//Unless othewise noted in "Comments," all values are from QM calculations (CBS-QB3 with 1D-HR corrections). -//Uncertainties estimated at 1.00, unless experimental uncertainty available. -// -//References -//[1] Good, W.D. et al. J. Phys. Chem., 1961, 65, 2229-2231. -//[2] McCullough, J.P. et al. J. Am. Chem. Soc., 1957, 79, 561-566. -//[3] Hubbard, W.N.; Waddington, G. Rec. Trav. Chim. Pays/Bas, 1954, 73, 910. -//[4] Hubbard, W.N. et al. J. Phys. Chem., 1958, 62, 614-617. -//[5] Voronkov, M.G. et al. Dokl. Phys. Chem. (Engl. Transl.), 1989, 307, 650-653. -//[6] Scott, D.W. et al. J. Chem. Phys., 1962, 36, 406-412. -//[7] Ruscic, B.; Berkowitz, J., J. Chem. Phys., 1993, 98, 2568-2579. -//[8] Roy, M.; McMahon, T.B. Org. Mass Spectrom., 1982, 8, 392-395. -//[9] Butler, J.J.; Baer, T., Org. Mass Spectrom., 1983, 18, 248-253. -//[10] Chase, M.W., Jr., NIST-JANAF Thermochemical Tables, Fourth Edition, -// J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. -//[11] Alfassi, Z.B., S-centered radicals. 1999. -//[12] Roux, M.V. et al. J. Phys. Chem., 2008, 37, 1855-1996 -// -//H298 in kcal/mol, Rest in cal/molK -//Name H298 S298 Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 dH dS dCp Comments -CS2 27.95 56.88 10.93 11.87 12.55 13.05 13.74 14.17 14.72 1.00 1.00 1.00 "All from [10]" -CH2CS 46.77 60.69 13.05 14.81 16.24 17.42 19.26 20.64 22.79 1.00 1.00 1.00 -H2S -4.90 49.18 8.18 8.49 8.89 9.31 10.16 10.93 12.30 1.00 1.00 1.00 "All from [10]" -H2S2 3.40 60.38 11.86 13.23 14.22 14.99 16.10 16.86 17.86 1.00 1.00 1.00 -H2S3 6.41 74.73 17.13 18.90 20.16 21.12 22.42 23.17 23.85 1.00 1.00 1.00 -CH3SH -5.46 60.55 12.34 14.53 16.51 18.22 21.02 23.20 26.71 0.14 1.00 1.00 "H298 from [1]" -CH3SCH3 -8.96 69.68 17.91 21.13 24.08 26.61 30.70 33.90 39.27 0.48 1.00 1.00 "H298 from [5]" -C2H3SC2H3 25.33 81.43 25.45 30.48 34.38 37.45 42.10 45.58 51.21 0.96 1.00 1.00 "H298 from [5], strong disagreement w/ QM" -C2H3SC2H 83.70 77.79 25.45 29.27 31.82 33.75 36.70 38.99 42.86 1.00 1.00 1.00 -C2H3SH 19.24 68.45 16.09 18.96 21.25 23.08 25.89 28.01 31.48 1.00 1.00 1.00 -CH3SC2H3 14.77 75.19 22.30 26.11 29.41 32.19 36.61 40.00 45.51 1.00 1.00 1.00 -CH3SC2H 57.50 72.66 19.53 22.56 25.00 27.02 30.22 32.69 36.71 1.00 1.00 1.00 -HCSSH 25.68 66.82 14.42 16.28 17.71 18.84 20.54 21.76 23.52 1.00 1.00 1.00 -HCSSCH3 18.46 75.46 18.86 22.55 25.61 28.01 31.47 33.90 37.60 1.00 1.00 1.00 -HCSSC2H3 45.24 80.54 23.07 27.64 31.09 33.65 37.20 39.65 43.38 1.00 1.00 1.00 -HCSSC2H 91.12 78.43 21.31 24.22 26.36 27.98 30.34 32.02 34.46 1.00 1.00 1.00 -HCSSCSH 56.89 77.85 21.18 24.14 26.51 28.36 31.00 32.71 34.80 1.00 1.00 1.00 -HCSSSH 30.78 76.99 19.72 21.93 23.62 24.92 26.73 27.88 29.28 1.00 1.00 1.00 -C2H5SH -11.03 69.63 18.04 21.64 24.88 27.66 32.05 35.34 40.47 1.00 1.00 1.00 "H298 from [2]" -allylthiol 14.42 75.80 23.35 26.88 29.92 32.54 36.85 40.22 45.68 1.00 1.00 1.00 -prop2yne1thiol 56.45 72.76 19.48 22.62 25.16 27.25 30.52 33.01 36.98 1.00 1.00 1.00 -SHCH2SH 4.18 74.42 19.68 21.08 22.49 23.82 26.16 28.08 31.22 1.00 1.00 1.00 -HCSCH2SH 25.55 75.82 22.25 25.58 27.80 29.43 31.89 33.80 36.97 1.00 1.00 1.00 -propane2thiol -18.39 77.90 24.08 29.15 33.49 37.06 42.58 46.79 53.77 0.15 1.00 1.00 "H298 from [3]" -but1ene3thiol 6.80 82.42 29.04 34.68 39.19 42.82 48.50 52.89 60.03 1.00 1.00 1.00 -but1yne3thiol 49.14 81.20 25.26 29.98 33.83 36.96 41.81 45.46 51.25 1.00 1.00 1.00 -ethane11dithiol -3.68 81.62 25.11 28.27 31.06 33.47 37.42 40.51 45.50 1.00 1.00 1.00 -HCSCHCH3SH 17.58 82.71 27.83 32.92 36.65 39.41 43.42 46.41 51.30 1.00 1.00 1.00 -t_butanethiol -25.99 83.68 30.64 37.33 42.97 47.52 54.44 59.63 68.19 0.21 1.00 1.00 "H298 from [4]" -CH3CHS 16.41 65.91 14.60 17.16 19.51 21.51 24.67 27.07 30.94 1.00 1.00 1.00 "Expt available [9]" -HCSC2H5 11.00 76.13 19.98 24.09 27.73 30.78 35.55 39.14 44.94 1.00 1.00 1.00 -propanethial2methyl 4.58 82.97 16.35 31.94 36.75 40.72 46.88 51.52 59.07 1.00 1.00 1.00 -propanethial22dimethyl -3.84 87.27 32.70 39.90 45.97 50.91 58.46 64.12 73.34 1.00 1.00 1.00 -propene2thiol 9.82 73.90 21.10 25.32 28.85 31.79 36.47 40.01 45.63 1.00 1.00 1.00 -propenethial 38.39 68.35 17.18 21.40 24.94 27.70 31.59 34.20 37.93 1.00 1.00 1.00 -propynethial 84.36 68.07 15.92 18.49 20.44 21.95 24.18 25.77 28.24 1.00 1.00 1.00 -ethanedithial 53.07 68.42 15.69 18.59 21.14 23.21 26.01 27.54 29.10 1.00 1.00 1.00 -propane2thione 5.50 72.92 19.00 22.89 26.60 29.85 35.06 38.97 45.08 1.00 1.00 1.00 -but3ene2thione 29.02 77.86 23.55 28.42 32.62 36.13 41.50 45.38 51.32 1.00 1.00 1.00 -but3yne2thione 73.20 76.39 21.65 25.66 28.92 31.58 35.64 38.60 43.18 1.00 1.00 1.00 -HCSCSCH3 42.24 79.42 21.25 25.42 29.09 32.02 36.11 38.75 42.50 1.00 1.00 1.00 -C2HSC2H 129.08 78.06 21.80 24.53 26.41 27.83 29.94 31.49 33.98 1.00 1.00 1.00 -C2HSH 61.82 63.03 14.41 16.16 17.39 18.35 19.86 21.03 22.96 1.00 1.00 1.00 -C2H3SSH 24.15 78.68 21.38 24.76 27.55 29.79 33.03 35.19 38.17 1.00 1.00 1.00 -CH3SSH -1.25 71.12 17.27 19.74 21.86 23.64 26.43 28.47 31.59 1.00 1.00 1.00 -C2HSSH 67.79 73.72 19.47 21.83 23.37 24.47 25.97 27.00 28.55 1.00 1.00 1.00 -CH3SC2H5 -14.41 79.71 22.83 27.53 31.85 35.60 41.68 46.35 53.82 0.26 1.00 1.00 "H298 from [3]" -isopropyl_methyl_sulfide -21.43 85.25 29.07 35.22 40.76 45.49 53.07 58.86 68.12 0.18 1.00 1.00 "H298 from [4]" -tertbutyl_methyl_sulfide -28.92 90.14 35.35 43.35 50.22 55.94 64.92 71.72 82.59 0.18 1.00 1.00 "H298 from [6]" -allyl_methyl_sulfide 10.61 84.06 29.37 34.55 38.70 42.18 47.85 52.31 59.65 1.00 1.00 1.00 -but1ene3thiomethyl 2.75 89.92 34.61 42.59 48.63 53.23 60.14 65.43 74.19 1.00 1.00 1.00 -methyl_propargyl_sulfide 52.40 81.12 25.47 29.87 33.48 36.49 41.27 44.94 50.87 1.00 1.00 1.00 -but1yne3thiomethyl 45.19 89.44 31.76 37.47 42.26 46.25 52.57 57.39 65.15 1.00 1.00 1.00 -propene2thiomethyl 7.71 82.87 28.59 33.70 37.87 41.43 47.30 51.92 59.46 1.00 1.00 1.00 -CH3SSCH3 -5.76 80.48 22.41 26.04 29.34 32.18 36.69 40.08 45.38 0.55 1.00 1.00 "H298 from [5]" -CH3SSC2H3 19.70 85.74 26.41 30.72 34.45 37.55 42.33 45.82 51.21 1.00 1.00 1.00 -CH3SSC2H 62.37 82.66 24.85 28.33 31.03 33.18 36.42 38.77 42.42 1.00 1.00 1.00 -CH3SSSH 1.05 83.69 22.84 25.56 27.87 29.80 32.73 34.76 37.58 1.00 1.00 1.00 -CH3SSSCH3 -4.49 91.63 29.67 33.35 36.55 39.27 43.56 46.69 51.40 1.00 1.00 1.00 -CH2S 27.28 56.45 9.09 10.35 11.52 12.51 14.08 15.26 17.14 1.00 1.00 1.00 "Expts available [7] and [8]" -CH3CSSH 15.93 75.41 19.72 22.75 25.39 27.63 31.13 33.71 37.49 1.00 1.00 1.00 -C2H3SC2H5 9.51 85.05 27.36 32.53 37.19 41.17 47.50 52.29 59.87 1.00 1.00 1.00 -pent1ene3thia4methyl 3.04 90.50 32.71 39.82 45.88 50.89 58.70 64.57 73.91 1.00 1.00 1.00 -pent1ene3thia24dimethyl -6.89 97.04 38.80 47.27 54.54 60.65 70.27 77.47 88.69 1.00 1.00 1.00 -C2H3SC2CH3 71.85 89.41 28.50 33.42 37.68 41.25 46.82 50.95 57.42 1.00 1.00 1.00 -CH3SC2SH 62.00 83.62 24.44 27.90 30.77 33.16 36.92 39.71 43.95 1.00 1.00 1.00 -penta14diene3thia24dimethyl 22.68 98.26 36.16 43.38 49.60 54.83 63.09 69.33 79.21 1.00 1.00 1.00 -HCSSC2H2SCH3 46.36 103.09 36.25 41.93 46.20 49.47 54.23 57.67 63.00 1.00 1.00 1.00 -HCSSC2H5 13.06 84.86 24.33 29.56 33.90 37.37 42.54 46.28 51.98 1.00 1.00 1.00 -CH3CSSC2H5 2.39 93.04 28.97 35.47 41.20 45.98 53.27 58.50 66.26 1.00 1.00 1.00 -SHCSC2H5 9.70 83.73 24.69 29.39 33.41 36.76 41.97 45.79 51.52 1.00 1.00 1.00 -pent1ene4methyl3thione 17.87 93.81 33.97 42.21 49.39 55.33 64.31 70.72 80.35 1.00 1.00 1.00 -but-3-ene-2-thione-3-methyl 20.77 85.09 29.46 36.08 41.49 45.84 52.46 57.38 65.18 1.00 1.00 1.00 -prop-2-enethial-2-methyl 28.99 76.76 22.57 28.02 32.83 36.76 42.50 46.40 52.02 1.00 1.00 1.00 -pent-1-yne-3-thione 68.05 88.13 26.97 32.26 36.70 40.36 46.04 50.20 56.62 1.00 1.00 1.00 -C2HSSCSH 95.39 87.92 27.44 30.81 33.05 34.63 36.73 38.10 39.96 1.00 1.00 1.00 -butane-23-dithione 33.10 89.07 26.00 31.13 35.73 39.58 45.48 49.70 56.05 1.00 1.00 1.00 -tertbutyl_hydrodisulfide -24.77 90.45 35.08 42.44 48.49 53.39 60.86 66.35 74.82 1.00 1.00 1.00 -methanetrithiol 12.93 85.86 25.19 27.38 28.99 30.26 32.36 34.04 36.79 1.00 1.00 1.00 -ethane-111-trithiol 3.78 91.05 32.56 36.14 38.85 41.01 44.43 47.08 51.38 1.00 1.00 1.00 -propane-22-dithiol -12.47 85.85 31.08 36.22 40.46 43.96 49.44 53.57 60.14 1.00 1.00 1.00 -butane-22-dithiol -17.29 96.07 36.68 43.28 48.84 53.45 60.64 66.01 74.46 1.00 1.00 1.00 -ethane-11-dithiol-1thiomethyl -1.15 99.23 37.76 42.85 46.98 50.29 55.36 59.19 65.39 1.00 1.00 1.00 -mercapto_rad 33.30 46.76 7.75 7.57 7.48 7.47 7.60 7.85 8.35 1.00 1.00 1.00 All from [10] -CH3Sj 29.88 57.60 10.80 12.57 14.13 15.44 17.57 19.22 21.92 0.48 1.00 1.00 "H298, S298 from [11]" -C2H3Sj 55.70 64.50 13.10 15.73 17.91 19.68 22.36 24.32 27.39 1.00 1.00 1.00 -C2HSj 87.39 93.95 14.41 15.48 16.21 16.77 17.60 18.22 19.24 1.00 1.00 1.00 -HCSSj 53.92 65.88 11.48 13.04 14.24 15.13 16.35 17.15 18.31 1.00 1.00 1.00 -SHSj 25.23 60.88 9.59 10.30 10.80 11.19 11.80 12.26 12.97 1.00 1.00 1.00 "Expt available [11]" -CH3SSj 17.30 70.82 14.32 16.36 18.15 19.65 22.01 23.80 26.66 1.00 1.00 1.00 "Expts available [11]" -SHSSj 27.09 73.78 14.38 15.21 15.76 16.16 16.76 17.22 17.92 1.00 1.00 1.00 -CH2jSH 38.04 62.58 12.92 14.45 15.71 16.75 18.39 19.66 21.74 1.00 1.00 1.00 -CH3CHjSH 30.63 71.55 17.02 19.93 22.57 24.83 28.44 31.19 35.55 1.00 1.00 1.00 -C2H3CHjSH 44.65 76.63 20.46 24.55 27.89 30.57 34.61 37.57 42.21 1.00 1.00 1.00 -C2HCHjSH 87.74 74.46 19.96 22.67 24.68 26.23 28.53 30.21 32.87 1.00 1.00 1.00 -HCSCHjSH 48.63 75.43 18.24 21.29 23.78 25.76 28.65 30.63 33.43 1.00 1.00 1.00 -SHCHjSH 41.95 74.81 16.18 18.14 19.67 20.91 22.85 24.31 26.60 1.00 1.00 1.00 -isopropyl-2-thiol 22.80 82.05 22.51 26.39 30.09 33.41 38.81 42.97 49.52 1.00 1.00 1.00 -but-1-en-3-yl-3-thiol 34.95 86.56 26.37 31.49 35.96 39.74 45.69 50.09 56.72 1.00 1.00 1.00 -but-1-yn-3-yl-3-thiol 78.81 84.10 24.55 28.53 31.81 34.51 38.71 41.84 46.72 1.00 1.00 1.00 -propanethial-2-yl-2-thiol 35.68 81.62 23.92 29.09 33.25 36.47 41.13 44.34 48.95 1.00 1.00 1.00 -ethanyl-11-dithiol 34.44 86.47 22.75 25.10 27.51 29.71 33.37 36.19 40.61 1.00 1.00 1.00 -ethenyl-1-thiol 72.21 69.43 17.75 19.74 21.26 22.51 24.50 25.95 28.09 1.00 1.00 1.00 -//thioformyl 68.00 56.38 8.77 9.46 10.04 10.52 11.21 11.76 12.62 1.00 1.00 1.00 "Expt available [7]" -thioacetyl 56.91 66.09 12.69 14.77 16.75 18.50 21.25 23.30 26.46 1.00 1.00 1.00 -//SCjj 76.02 76.71 18.23 20.95 23.22 25.10 27.99 30.10 33.33 1.00 1.00 1.00 -Sjj 66.20 40.11 4.97 4.97 4.97 4.97 4.97 5.13 5.06 1.00 1.00 1.00 "H298, S298, Cp1000, Cp1500 from [10], rest from AGV" -ethylthio 23.44 68.11 15.99 19.18 22.02 24.45 28.36 31.33 36.04 1.00 1.00 1.00 -propyl-2-thio 17.69 74.74 21.15 26.05 30.33 33.91 39.51 43.69 50.26 1.00 1.00 1.00 -tert-butylthio 9.73 80.98 27.39 33.82 39.39 44.02 51.15 56.41 64.72 1.00 1.00 1.00 -CH3SCH2Sj 33.73 78.49 20.36 24.36 27.74 30.40 34.27 37.02 41.33 1.00 1.00 1.00 -C2H3CH2Sj 49.53 73.16 18.85 22.86 26.25 29.04 33.35 36.54 41.55 1.00 1.00 1.00 -C2H3C2H2Sj 56.26 79.50 21.59 26.90 31.38 34.92 39.99 43.43 48.40 1.00 1.00 1.00 -propen-2-thio 38.65 73.35 18.62 22.47 25.86 28.68 33.10 36.35 41.47 1.00 1.00 1.00 -propen-1-thio 37.66 73.01 17.85 21.76 25.27 28.23 32.83 36.21 41.42 1.00 1.00 1.00 "Values for cis only" -CH3SSSj 21.23 83.42 19.00 21.20 23.04 24.56 26.95 28.75 31.62 1.00 1.00 1.00 -CH3SCH2j 33.53 71.55 17.66 20.57 23.11 25.26 28.69 31.32 35.56 1.00 1.00 1.00 -CH3SSCH2j 38.45 83.91 23.36 26.58 29.22 31.33 34.51 36.90 40.79 1.00 1.00 1.00 -SHCH2SCH2j 43.20 84.92 24.44 27.29 29.67 31.66 34.81 37.23 41.12 1.00 1.00 1.00 -CH3SCHjCH3 26.49 82.05 21.94 26.12 29.99 33.33 38.70 42.78 49.28 1.00 1.00 1.00 -C2H5SCHjCH3 20.69 91.00 27.94 33.65 38.76 43.11 50.03 55.27 63.60 1.00 1.00 1.00 -pentan-2-yl-2-methyl-3-thia 12.94 98.08 33.48 40.03 46.19 51.60 60.35 67.02 77.54 1.00 1.00 1.00 -hex-2-yn-4-yl-4-methyl-5-thia 63.56 102.15 34.43 40.98 46.69 51.53 59.27 65.13 74.37 1.00 1.00 1.00 -propan-1-yl-1-thione 50.85 77.40 18.15 21.58 24.82 27.62 32.07 35.39 40.53 1.00 1.00 1.00 -//S2 30.74 54.54 7.79 8.14 8.35 8.51 8.75 8.94 9.31 1.00 1.00 1.00 "All from [10]" -CS 67.00 50.32 7.13 7.40 7.69 7.94 8.30 8.51 8.78 1.00 1.00 1.00 "All from [10]" -C2H5SC2H5 -19.88 87.79 27.96 34.23 39.93 44.84 52.67 58.62 68.04 1.00 1.00 1.00 -CH2JCH2SC2H5 29.36 91.95 29.46 34.90 39.74 43.88 50.49 55.56 63.71 1.00 1.00 1.00 -CH3CHJSC2H5 20.70 90.99 27.90 33.61 38.72 43.08 50.00 55.25 63.58 1.00 1.00 1.00 - -CH2OHSH -42.80 68.52 18.79 21.16 22.86 24.19 26.31 28.00 30.96 1.00 1.00 1.00 -CHCH3OHSH -52.20 75.71 24.96 28.75 31.60 33.87 37.49 40.34 45.15 1.00 1.00 1.00 -CH2OHSJ -7.88 66.38 13.89 16.40 18.45 20.05 22.39 24.06 26.71 1.00 1.00 1.00 -CHCH3OHSJ -16.74 75.02 19.84 23.81 27.11 29.75 33.66 36.49 40.97 1.00 1.00 1.00 -CHOHS -27.46 62.24 11.77 13.96 15.89 17.50 19.92 21.57 23.72 1.00 1.00 1.00 -CHOSH -29.91 64.42 13.56 15.27 16.71 17.95 19.92 21.33 23.24 1.00 1.00 1.00 -CHOSJ 7.85 64.12 11.23 12.45 13.51 14.40 15.76 16.72 18.11 1.00 1.00 1.00 -COS -33.21 55.35 9.94 10.96 11.69 12.25 13.07 13.62 14.39 0.25 1.00 1.00 -// CSOHOH -81.77 66.77 17.31 20.88 23.35 25.01 26.95 28.04 29.34 1.00 1.00 1.00 -// COSHOH -87.88 69.69 17.65 20.24 22.27 23.93 26.93 27.92 29.42 1.00 1.00 1.00 -thiophene 27.49 67.92 17.50 22.92 27.23 30.54 35.23 38.42 43.14 0.24 1.00 1.00 -DHTP-2-ol -22.43 78.06 24.92 31.33 36.65 40.86 46.94 51.15 57.51 1.00 1.00 1.00 -DHTP-3-ol -21.68 77.71 25.60 32.36 37.58 41.56 47.31 51.36 57.59 1.00 1.00 1.00 -benzaldehyde -10.03 79.67 26.37 34.38 41.26 46.87 55.14 60.79 68.78 1.00 1.00 1.00 -benzenethial 43.95 82.19 27.26 35.41 42.29 47.81 55.83 61.26 68.97 1.00 1.00 1.00 -PhCHOHSH -20.54 93.55 38.16 47.24 54.31 59.84 67.91 73.59 82.20 1.00 1.00 1.00 - -//cyclohexene to 1,3-cyclohexadiene to benzene -cyc-C6H10 -1.03 74.20 24.42 33.39 41.41 48.14 58.47 65.88 76.91 0.23 1.00 1.00 "see NIST webbook" -cyc-C6H9J-3 30.04 73.79 24.28 32.36 39.58 45.76 55.33 62.07 71.91 1.00 1.00 1.00 "CAC CBS-QB3" -cyc-C6H9J-4 45.73 75.45 25.02 32.86 39.89 45.96 55.45 62.19 72.03 1.00 1.00 1.00 "CAC CBS-QB3" -cyc-C6H8 25.00 72.52 22.66 30.72 37.76 43.56 52.27 58.42 67.52 0.15 1.00 1.00 "see NIST webbook" -cyc-C6H7J 48.64 70.60 22.30 29.55 35.87 41.17 49.18 54.69 62.60 1.00 1.00 1.00 "CAC CBS-QB3" -benzene 19.8 64.36 19.84 27.13 33.30 38.26 45.52 50.53 57.87 0.20 1.00 1.00 "H from [12], rest from TRC" - -toluene 12.0 80.74 24.95 33.44 40.82 46.89 56.00 62.43 71.94 0.26 1.00 1.00 "see NIST webbook, used G3B3 calc for entropy" -benzyl 49.5 76.31 26.48 34.85 41.67 47.06 54.92 60.39 68.52 1.00 1.00 1.00 "see NIST, used QCISD/cc-pVDZ for Cp" - diff --git a/output/RMG_database/thermo_libraries/primaryAbrahamLibrary/Dictionary.txt b/output/RMG_database/thermo_libraries/primaryAbrahamLibrary/Dictionary.txt deleted file mode 100644 index 33e327220d..0000000000 --- a/output/RMG_database/thermo_libraries/primaryAbrahamLibrary/Dictionary.txt +++ /dev/null @@ -1,6 +0,0 @@ -O2 -1 O 1 {2,S} -2 O 1 {1,S} - -HOJ -1 O 1 diff --git a/output/RMG_database/thermo_libraries/primaryAbrahamLibrary/Library.txt b/output/RMG_database/thermo_libraries/primaryAbrahamLibrary/Library.txt deleted file mode 100644 index 81b59b94cc..0000000000 --- a/output/RMG_database/thermo_libraries/primaryAbrahamLibrary/Library.txt +++ /dev/null @@ -1,3 +0,0 @@ -//Name S B E L A V comment/source -O2 0.0 0.0 0.0 -0.723 0.0 0.191 !experimental descriptors for molecular oxygen -HOJ 0.524 0.378 0.309 0.802 0.348 0.146 !descriptors for H2O but with the contribution of 1 OH group to A diff --git a/output/RMG_database/thermo_libraries/primaryThermoLibrary/Dictionary.txt b/output/RMG_database/thermo_libraries/primaryThermoLibrary/Dictionary.txt deleted file mode 100644 index 84fe351da3..0000000000 --- a/output/RMG_database/thermo_libraries/primaryThermoLibrary/Dictionary.txt +++ /dev/null @@ -1,70 +0,0 @@ -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -H -1 H 1 - -OCCO(S) -1 O 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} {4,D} -4 O 0 {3,D} - -OCCO -1 O 1 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} {4,S} -4 O 1 {3,S} - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - -OH -1 O 1 {2,S} -2 H 0 {1,S} - -CO3s1 -1 C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 O 0 {4,S} {1,S} -4 O 0 {3,S} {1,S} - -CO3t1 -1 C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 O 1 {1,S} -4 O 1 {1,S} - -CO3t2 -1 C 1 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {4,S} {1,S} -4 O 1 {3,S} - -cyclopropene12diyl -1 C 1 {2,D} {3,S} -2 C 1 {1,D} {3,S} -3 C 0 {1,S} {2,S} {4,S} {5,S} -4 H 0 {3,S} -5 H 0 {3,S} - -cyclopropynylidyne -1 C 0 {2,T} {3,S} -2 C 0 {1,T} {3,S} -3 C 1 {1,S} {2,S} {4,S} -4 H 0 {3,S} - -C3H2 -1 C 2S {2,S} {3,S} -2 C 0 {1,S} {3,D} -3 C 0 {1,S} {2,D} - -S2 -1 S 1 {2,S} -2 S 1 {1,S} - -HCS -1 C 1 {2,D} -2 S 0 {1,D} diff --git a/output/RMG_database/thermo_libraries/primaryThermoLibrary/Library.txt b/output/RMG_database/thermo_libraries/primaryThermoLibrary/Library.txt deleted file mode 100644 index 5f919808d4..0000000000 --- a/output/RMG_database/thermo_libraries/primaryThermoLibrary/Library.txt +++ /dev/null @@ -1,18 +0,0 @@ -//Name H298 S298 Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 dH dS dCp Comments -H2 0.000 31.233 6.895 6.975 6.994 7.009 7.081 7.219 7.720 0 0.0007 0 "library value for H2" -H 52.103 27.419 4.968 4.968 4.968 4.968 4.968 4.968 4.968 0.001 0.0005 0 "library value for H radical" -O2 -0.0010244 49.0236 7.0233 7.1986 7.4285 7.6673 8.0656 8.3363 8.7407 0.0 0.0 0.0 "from GRI-Mech 3.0" -OH 9.4021 43.9063 7.1402 7.0675 7.0458 7.0581 7.1493 7.3353 7.8741 0.0 0.0 0.0 "taken from GRI-Mech 3.0 species s00010102" -CO3s1 -37.90 61.28 11.82 13.53 14.80 15.76 17.05 17.85 18.84 0.0 0.0 0.0 "Mebel et al (2004) http://dx.doi.org/10.1021/jp049315h" -CO3t1 -11.50 64.53 12.43 14.02 15.23 16.16 17.40 18.14 19.01 0.0 0.0 0.0 "Mebel et al (2004) http://dx.doi.org/10.1021/jp049315h" -CO3t2 28.70 67.06 13.48 14.83 15.83 16.59 17.62 18.26 19.05 0.0 0.0 0.0 "Mebel et al (2004) http://dx.doi.org/10.1021/jp049315h" -cyclopropene12diyl 188.13 59.26 11.32 13.42 15.16 16.58 18.74 20.29 22.63 0.0 0.0 0.0 "doi:10.1016/j.chemphys.2008.01.057 and doi:10.1021/jp003224c" -cyclopropynylidyne 169.80 57.47 10.43 11.93 13.18 14.18 15.61 16.59 17.99 0.0 0.0 0.0 "doi:10.1016/j.chemphys.2008.01.057 and doi:10.1021/jp003224c" -OCCO(S) 18.31 90.63 13.66 14.78 15.66 16.41 17.57 18.39 19.53 0.0 0.0 0.0 "QCI//DFT calculation by CFGoldsmith; Copied from DFT_QCI_thermo library" -OCCO 5.60 61.18 14.21 15.20 15.98 16.65 17.72 18.49 19.58 0.0 0.0 0.0 "QCI//DFT calculation by CFGoldsmith; Copied from DFT_QCI_thermo library" -C3H2 113.99 56.44 10.61 12.79 14.81 16.48 18.71 20.33 22.59 0.0 0.0 0.0 "Burcat's recommended value for 16165-40-5: C3H2 CYCLOPROPENYLIDENE BI-RADICAL SINGLET on 3/25/2011 (MRH converted from NASA-7 to RMG format)" -H 52.103 27.419 4.968 4.968 4.968 4.968 4.968 4.968 4.968 0.001 0.0005 0 "library value for H radical" -//C2O2 14.90 57.613 11.00 12.00 13.00 14.00 15.00 16.00 17.00 0 0 0 "G03 CBSQB3 calculation - Cp values estimated poorly" -O2 -0.0010244 49.0236 7.0233 7.1986 7.4285 7.6673 8.0656 8.3363 8.7407 0.0 0.0 0.0 "from GRI-Mech 3.0" -S2 29.19 55.96 7.81 8.17 8.40 8.54 8.70 8.78 8.87 0 0 0 "CBS-QB3 value A.G. Vandeputte" -HCS 71.7 56.37 8.77 9.46 10.04 10.51 11.22 11.76 12.62 0 0 0 "NIST value + B3LYP/cbsb7 entropy and heat cap A.G. Vandeputte" diff --git a/output/RMG_database/thermo_libraries/primaryThermoLibrary/README.txt b/output/RMG_database/thermo_libraries/primaryThermoLibrary/README.txt deleted file mode 100644 index 06be927965..0000000000 --- a/output/RMG_database/thermo_libraries/primaryThermoLibrary/README.txt +++ /dev/null @@ -1,71 +0,0 @@ -primaryThermoLibrary -==================== - -This thermochemistry library contains thermochemistry of a few small -molecules. Some of them, RMG may otherwise estimate poorly. In some instances -it would be OK estimating via group additivity, but if running with automatic -quantum calculations the calculations are likely to fail. - -It is recommended that this library is included in all calculations. (It is -advisable to use a much larger library, as many other small molecules will be -poorly estimated by RMG. This should be considered a bare minimum.) - --------- -Sources: --------- - -For CO3 isomers: -Data is from the paper by Mebel et al. [1]. -Geometries are from Figure 1. -Vibrational frequencies from the supplementary material. -H298 values are derived from the relative energies given in the paper. - -For C3Hn species: -Geometries from Aguilera-Iparraguirre [2] and frequencies from Nguyen [3]. -H298 values from a mixture of the two. - -For OCCO species: -QCI//DFT calculation by C.F. Goldsmith (2010): The lowest energy conformer -using CBS-QB3 method was selected, and this geometry was re-optimized using -the B3LYP functional with the larger 6-311++G(d,p) basis set. the DFT -equilibrium geometries were used for RQCISD(T)/cc-pVTZ and RQCISD(T)/cc-pVQZ -energies. To avoid spin contamination, all calculations were spin restricted. -The RQCISD(T) complete basis set limit was extrapolated from the triple and -quadruple zeta basis set calculations assuming an inverse power law. -Manuscript in preparation. - -For C3H2 species: -Here is the website for "Burcat" as of 3/25/2011: http://garfield.chem.elte.hu/Burcat/BURCAT.THR -The species information present as of 3/25/2011 is the following: -16165-40-5 -C3H2 CYCLOPROPENYLIDENE BI-RADICAL SINGLET SIGMA=2 STATWT=1 Ia=2.35340 Ib=2.4065 -Ic=4.8941 Nu=788,887,[898,979],1063,1277,[1588,3080,3114] REF=Webbook NIST2000 -+[]Vereecken, et al JCP 108,(1998),1068 HF298=114 kcal REF= Kiefer et.al. -J. Phys. Chem 101, (1997), 4057 {HF298=121.63+/-6.3 kcal REF=Melius 1988 P60V} -{HF298=136 kcal REF=PM3 RHF calculation} Max Lst Sq Error Cp @ 200 K 0.82% -C3H2(1) Cyclo T12/00C 3.H 2. 0. 0.G 200.000 6000.000 B 38.04888 1 - 5.69445684E+00 6.53821901E-03-2.35907266E-06 3.82037384E-10-2.29227460E-14 2 - 5.49264274E+04-6.96163733E+00 3.18167129E+00-3.37611741E-04 3.95343765E-05 3 --5.49792422E-08 2.28335240E-11 5.61816758E+04 9.06482468E+00 5.73666999E+04 4 -MRH converted from the NASA-7 polynomials found here to the RMG format found in the Library.txt file - - ----------- -References ----------- - -[1] A. M. Mebel, M. Hayashi, V. V. Kislov, and S. H. Lin. Theoretical Study of -Oxygen Isotope Exchange and Quenching in the O(1D) + CO2 Reaction. The Journal -of Physical Chemistry A, 108(39):7983–7994, September 2004. -http://dx.doi.org/10.1021/jp049315h - -[2] J. Aguilera-Iparraguirre, A. Daniel Boese, W. Klopper, and B. Ruscic. -Accurate ab initio computation of thermochemical data for C3Hx -(x=0,...,4)(x=0,...,4) species. Chemical Physics, 346(1-3):56–68, May 2008. -http://dx.doi.org/10.1016/j.chemphys.2008.01.057 - -[3] T. L. Nguyen, A. M. Mebel, and R. I. Kaiser. A Theoretical Investigation -of the Triplet Carbon Atom C(3P) + Vinyl Radical C2H3(2A’) Reaction and -Thermochemistry of C3Hn (n = 14) Species. The Journal of Physical Chemistry A, -105(13):3284–3299, April 2001. -http://dx.doi.org/10.1021/jp003224c diff --git a/output/RMG_database/transport_groups/nonring_Dictionary.txt b/output/RMG_database/transport_groups/nonring_Dictionary.txt deleted file mode 100644 index 453914fe22..0000000000 --- a/output/RMG_database/transport_groups/nonring_Dictionary.txt +++ /dev/null @@ -1,171 +0,0 @@ -// nonring_Dictionary.txt file for $RMG/databases/RMG_database/transport_groups -// 12/May/2010 -// MRH (mrharper@mit.edu) - -CsH3R -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 R!H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -CsH2R2 -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 R!H 0 {1,S} -3 R!H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -CsHR3 -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 R!H 0 {1,S} -3 R!H 0 {1,S} -4 R!H 0 {1,S} -5 H 0 {1,S} - -CsR4 -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 R!H 0 {1,S} -3 R!H 0 {1,S} -4 R!H 0 {1,S} -5 R!H 0 {1,S} - -CdH2R -1 * C 0 {2,D} {3,S} {4,S} -2 R!H 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - -CdHR2 -1 * C 0 {2,D} {3,S} {4,S} -2 R!H 0 {1,D} -3 R!H 0 {1,S} -4 H 0 {1,S} - -CdR3 -1 * C 0 {2,D} {3,S} {4,S} -2 R!H 0 {1,D} -3 R!H 0 {1,S} -4 R!H 0 {1,S} - -CddR2 -1 * C 0 {2,D} {3,D} -2 R!H 0 {1,D} -3 R!H 0 {1,D} - -CtHR -1 * C 0 {2,T} {3,S} -2 R!H 0 {1,T} -3 H 0 {1,S} - -CtR2 -1 * C 0 {2,T} {3,S} -2 R!H 0 {1,T} -3 R!H 0 {1,S} - -Alcohol -1 * O 0 {2,S} {3,S} -2 R!H 0 {1,S} -3 H 0 {1,S} - -Phenol -1 * O 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 H 0 {1,S} - -Ether -1 * O 0 {2,S} {3,S} -2 R!H 0 {1,S} -3 R!H 0 {1,S} - -Ketone_Ccentered -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 R!H 0 {1,S} -4 R!H 0 {1,S} - -Ketone_Ocentered -1 * O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 R!H 0 {2,S} -4 R!H 0 {2,S} - -Aldehyde_Ccentered -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 R!H 0 {1,S} -4 H 0 {1,S} - -Aldehyde_Ocentered -1 * O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 R!H 0 {2,S} -4 H 0 {2,S} - -Acid_Ccentered -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 O 0 {1,S} {5,S} -4 R!H 0 {1,S} -5 H 0 {3,S} - -Acid_Ocentered1 -1 * O 0 {2,S} {3,S} -2 H 0 {1,S} -3 C 0 {1,S} {4,D} {5,S} -4 O 0 {3,D} -5 R!H 0 {3,S} - -Acid_Ocentered2 -1 * O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 R!H 0 {2,S} -4 O 0 {2,S} {5,S} -5 H 0 {4,S} - -Ester_Ccentered -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 O 0 {1,S} {5,S} -4 R!H 0 {1,S} -5 R!H 0 {3,S} - -Ester_Ocentered1 -1 * O 0 {2,S} {3,S} -2 R!H 0 {1,S} -3 C 0 {1,S} {4,D} {5,S} -4 O 0 {3,D} -5 R!H 0 {3,S} - -Ester_Ocentered2 -1 * O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 R!H 0 {2,S} -4 O 0 {2,S} {5,S} -5 R!H 0 {4,S} - -Od -1 * O 0 {2,D} -2 R!H 0 {1,D} - -R -1 * R 0 - -C_centered -1 * C 0 - -O_centered -1 * O 0 - -S_centered -1 * S 0 - -Thiol -1 * S 0 {2,S} {3,S} -2 R!H 0 {1,S} -3 H 0 {1,S} - -Thioether -1 * S 0 {2,S} {3,S} -2 R!H 0 {1,S} -3 R!H 0 {1,S} \ No newline at end of file diff --git a/output/RMG_database/transport_groups/nonring_Library.txt b/output/RMG_database/transport_groups/nonring_Library.txt deleted file mode 100644 index de2fe42325..0000000000 --- a/output/RMG_database/transport_groups/nonring_Library.txt +++ /dev/null @@ -1,33 +0,0 @@ -// nonring_Library.txt file for $RMG/databases/RMG_database/transport_groups -// 12/May/2010 -// MRH (mrharper@mit.edu) - -// FunctionalGroup Tc Pc Vc Tb StructureIndex -CsH3R 0.0141 -0.0012 65 23.58 1 -CsH2R2 0.0189 0 56 22.88 1 -CsHR3 0.0164 0.0020 41 21.74 1 -CsR4 0.0067 0.0043 27 18.25 1 -CdH2R 0.0113 -0.0028 56 18.18 1 -CdHR2 0.0129 -0.0006 46 24.96 1 -CdR3 0.0117 0.0011 38 24.14 1 -CddR2 0.0026 0.0028 36 26.15 0 -CtHR 0.0027 -0.0008 46 9.20 0 -CtR2 0.0020 0.0016 37 27.38 0 - -Alcohol 0.0741 0.0112 28 92.88 1 -Phenol 0.0240 0.0184 -25 76.34 1 -Ether 0.0168 0.0015 18 22.42 1 -Ketone_Ccentered 0.0380 0.0031 62 76.75 1 -Ketone_Ocentered 0 0 0 0 1 -Aldehyde_Ccentered 0.0379 0.0030 82 72.24 1 -Aldehyde_Ocentered 0 0 0 0 1 -Acid_Ccentered 0.0791 0.0077 89 169.09 1 -Acid_Ocentered1 0 0 0 0 1 -Acid_Ocentered2 0 0 0 0 1 -Ester_Ccentered 0.0481 0.0005 82 81.10 1 -Ester_Ocentered1 0 0 0 0 1 -Ester_Ocentered2 0 0 0 0 1 -Od 0.0143 0.0101 36 -10.50 0 - -Thiol 0.0031 0.0084 63 63.56 1 -Thioether 0.0119 0.0049 54 68.78 1 \ No newline at end of file diff --git a/output/RMG_database/transport_groups/nonring_Tree.txt b/output/RMG_database/transport_groups/nonring_Tree.txt deleted file mode 100644 index 6d5bca7cf8..0000000000 --- a/output/RMG_database/transport_groups/nonring_Tree.txt +++ /dev/null @@ -1,36 +0,0 @@ -// nonring_Tree.txt file for $RMG/databases/RMG_database/transport_groups -// 12/May/2010 -// MRH (mrharper@mit.edu) - -L0: R - L1: C_centered - L2: CsH3R - L2: CsH2R2 - L2: CsHR3 - L2: CsR4 - L2: CdH2R - L2: CdR3 - L3: Ketone_Ccentered - L3: Acid_Ccentered - L3: Ester_Ccentered - L2: CdHR2 - L3: Aldehyde_Ccentered - L2: CddR2 - L2: CtHR - L2: CtR2 - - L1: O_centered - L2: Alcohol - L3: Phenol - L3: Acid_Ocentered1 - L2: Ether - L3: Ester_Ocentered1 - L2: Od - L3: Ketone_Ocentered - L3: Aldehyde_Ocentered - L3: Acid_Ocentered2 - L3: Ester_Ocentered2 - - L1: S_centered - L2: Thiol - L2: Thioether \ No newline at end of file diff --git a/output/RMG_database/transport_groups/ring_Dictionary.txt b/output/RMG_database/transport_groups/ring_Dictionary.txt deleted file mode 100644 index 004f875944..0000000000 --- a/output/RMG_database/transport_groups/ring_Dictionary.txt +++ /dev/null @@ -1,64 +0,0 @@ -// ring_Dictionary.txt file for $RMG/databases/RMG_database/transport_groups -// 14/May/2010 -// MRH (mrharper@mit.edu) - -CsringH2R2 -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 R!H 0 {1,S} -3 R!H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -CsringHR3 -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 R!H 0 {1,S} -3 R!H 0 {1,S} -4 R!H 0 {1,S} -5 H 0 {1,S} - -CsringR4 -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 R!H 0 {1,S} -3 R!H 0 {1,S} -4 R!H 0 {1,S} -5 R!H 0 {1,S} - -CdringHR2 -1 * C 0 {2,D} {3,S} {4,S} -2 R!H 0 {1,D} -3 R!H 0 {1,S} -4 H 0 {1,S} - -CdringR3 -1 * C 0 {2,D} {3,S} {4,S} -2 R!H 0 {1,D} -3 R!H 0 {1,S} -4 R!H 0 {1,S} - -Ether_ring -1 * O 0 {2,S} {3,S} -2 R!H 0 {1,S} -3 R!H 0 {1,S} - -Ketone_ring -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 R!H 0 {1,S} -4 R!H 0 {1,S} - -R_ring -1 * R 0 - -C_centered_ring -1 * C 0 - -O_centered_ring -1 * O 0 - -S_centered_ring -1 * S 0 - -Thioether_ring -1 * S 0 {2,S} {3,S} -2 R!H 0 {1,S} -3 R!H 0 {1,S} \ No newline at end of file diff --git a/output/RMG_database/transport_groups/ring_Library.txt b/output/RMG_database/transport_groups/ring_Library.txt deleted file mode 100644 index 260127d8e1..0000000000 --- a/output/RMG_database/transport_groups/ring_Library.txt +++ /dev/null @@ -1,19 +0,0 @@ -// ring_Library.txt file for $RMG/databases/RMG_database/transport_groups -// 14/May/2010 -// MRH (mrharper@mit.edu) - -// FunctionalGroup Tc Pc Vc Tb StructureIndex -CsringH2R2 0.0100 0.0025 48 27.15 1 -CsringHR3 0.0122 0.0004 38 21.78 1 -CsringR4 0.0042 0.0061 27 21.32 1 -CdringHR2 0.0082 0.0011 41 26.73 1 -CdringR3 0.0143 0.0008 32 31.01 1 - -Ether_ring 0.0098 0.0048 13 31.22 1 -Ketone_ring 0.0284 0.0028 55 94.97 1 -// Note from MRH: -// How do I handle the oxygen of a O=C< group in a ring? -// Currently, RMG would identify the *O=R as not being part of a ring, -// and would therefore grab the Od fg in the nonring_Library.txt - -Thioether_ring 0.0019 0.0051 38 52.10 1 \ No newline at end of file diff --git a/output/RMG_database/transport_groups/ring_Tree.txt b/output/RMG_database/transport_groups/ring_Tree.txt deleted file mode 100644 index 35211223ee..0000000000 --- a/output/RMG_database/transport_groups/ring_Tree.txt +++ /dev/null @@ -1,19 +0,0 @@ -// ring_Tree.txt file for $RMG/databases/RMG_database/transport_groups -// 14/May/2010 -// MRH (mrharper@mit.edu) - -L0: R_ring - L1: C_centered_ring - L2: CsringH2R2 - L2: CsringHR3 - L2: CsringR4 - L2: CdringR3 - L3: Ketone_ring - L2: CdringHR2 - //L2: CddringR2 (?) The lack of this node is causing RMG to throw a warning message: "Transport Group not found" - - L1: O_centered_ring - L2: Ether_ring - - L1: S_centered_ring - L2: Thioether_ring \ No newline at end of file diff --git a/output/RMG_database/transport_libraries/GRI-Mech3.0/Dictionary.txt b/output/RMG_database/transport_libraries/GRI-Mech3.0/Dictionary.txt deleted file mode 100644 index 72756b402a..0000000000 --- a/output/RMG_database/transport_libraries/GRI-Mech3.0/Dictionary.txt +++ /dev/null @@ -1,276 +0,0 @@ -C -1 C 4 - -C2 -1 C 1 {2,T} -2 C 1 {1,T} - -C2O -1 C 2 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -C2H -1 C 1 {2,T} -2 C 0 {1,T} - -C2H2 -1 C 0 {2,T} -2 C 0 {1,T} - -C2H2OH -1 C 1 {2,D} -2 C 0 {1,D} {3,S} -3 O 0 {2,S} - -C2H3 -1 C 1 {2,D} -2 C 0 {1,D} - -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - -C2H5 -1 C 1 {2,S} -2 C 0 {1,S} - -C2H6 -1 C 0 {2,S} -2 C 0 {1,S} - -C3H2 -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 C 1 {2,D} - -C3H6 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} - -I*C3H7 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} - -N*C3H7 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} - -C3H8 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} - -C4H -1 C 1 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -C4H2 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -C4H9 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -I*C4H9 -1 C 0 {2,S} -2 C 1 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} - -CH -1 C 3 - -CH2 -1 C 2T - -CH2(S) -1 C 2S - -CH2CHCCH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -CH2CHCCH2 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 1 {2,S} {4,D} -4 C 0 {3,D} - -CH2CHCH2 -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 C 0 {2,D} - -CH2CHCHCH -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 C 1 {3,D} - -CH2CHCHCH2 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,D} -4 C 0 {3,D} - -CH2CO -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -CH2O -1 C 0 {2,D} -2 O 0 {1,D} - -CH2OH -1 C 1 {2,S} -2 O 0 {1,S} - -CH3 -1 C 1 - -CH3CC -1 C 0 {2,S} -2 C 0 {1,S} {3,T} -3 C 1 {2,T} - -CH3CCCH2 -1 C 0 {2,S} -2 C 1 {1,S} {3,D} -3 C 0 {2,D} {4,D} -4 C 0 {3,D} - -CH3CCCH3 -1 C 0 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} {4,S} -4 C 0 {3,S} - -CH3CCH2 -1 C 0 {2,S} -2 C 1 {1,S} {3,D} -3 C 0 {2,D} - -CH3CHCH -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 C 1 {2,D} - -CH3CH2CCH -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -CH3CHO -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -CH2CHO -1 C 1 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -CH3CO -1 C 0 {2,S} -2 C 1 {1,S} {3,D} -3 O 0 {2,D} - -CH3O -1 C 0 {2,S} -2 O 1 {1,S} - -CH3OH -1 C 0 {2,S} -2 O 0 {1,S} - -CH4 -1 C 0 - -CO -1 C 2T {2,D} -2 O 0 {1,D} - -CO2 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -H -1 H 1 - -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -H2CCCCH -1 C 0 {2,D} -2 C 1 {1,D} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -H2CCCCH2 -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} {4,D} -4 C 0 {3,D} - -H2CCCH -1 C 1 {2,S} -2 C 0 {1,S} {3,T} -3 C 0 {2,T} - -H2O -1 O 0 - -H2O2 -1 O 0 {2,S} -2 O 0 {1,S} - -HCCHCCH -1 C 1 {2,D} -2 C 0 {1,D} {3,S} -3 C 0 {2,S} {4,T} -4 C 0 {3,T} - -HCCO -1 C 1 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -HCCOH -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 O 0 {2,S} - -HCO -1 C 1 {2,D} -2 O 0 {1,D} - -HO2 -1 O 1 {2,S} -2 O 0 {1,S} - -O -1 O 2T - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - -OH -1 O 1 \ No newline at end of file diff --git a/output/RMG_database/transport_libraries/GRI-Mech3.0/Library.txt b/output/RMG_database/transport_libraries/GRI-Mech3.0/Library.txt deleted file mode 100644 index 66c49b1934..0000000000 --- a/output/RMG_database/transport_libraries/GRI-Mech3.0/Library.txt +++ /dev/null @@ -1,124 +0,0 @@ -// Library.txt file for $RMG/databases/RMG_database/transport_libraries directory -// Values from GRI-Mech 3.0: -// Gregory P. Smith, David M. Golden, Michael Frenklach, Nigel W. Moriarty, -// Boris Eiteneer, Mikhail Goldenberg, C. Thomas Bowman, Ronald K. Hanson, -// Soonho Song, William C. Gardiner, Jr., Vitali V. Lissianski, and Zhiwei Qin -// http://www.me.berkeley.edu/gri_mech/ - -// MRH 17-May-2010: Commenting species RMG will not recognize -// : Commenting species that are ambigious -// MRH 19-May-2010: Changing the shape index of CH2, CH2(S), and CH3 -// from 1 (linear) to 2 (nonlinear) - -// Name shapeIndex epsilon sigma dipoleMoment polarizability rotrelaxcollnum - -//AR 0 136.500 3.330 0.000 0.000 0.000 -C 0 71.400 3.298 0.000 0.000 0.000 ! * -C2 1 97.530 3.621 0.000 1.760 4.000 -C2O 1 232.400 3.828 0.000 0.000 1.000 ! * -//CN2 1 232.400 3.828 0.000 0.000 1.000 ! OIS -C2H 1 209.000 4.100 0.000 0.000 2.500 -C2H2 1 209.000 4.100 0.000 0.000 2.500 -C2H2OH 2 224.700 4.162 0.000 0.000 1.000 ! * -C2H3 2 209.000 4.100 0.000 0.000 1.000 ! * -C2H4 2 280.800 3.971 0.000 0.000 1.500 -C2H5 2 252.300 4.302 0.000 0.000 1.500 -C2H6 2 252.300 4.302 0.000 0.000 1.500 -//C2N 1 232.400 3.828 0.000 0.000 1.000 ! OIS -//C2N2 1 349.000 4.361 0.000 0.000 1.000 ! OIS -C3H2 2 209.000 4.100 0.000 0.000 1.000 ! * -//C3H4 1 252.000 4.760 0.000 0.000 1.000 -C3H6 2 266.800 4.982 0.000 0.000 1.000 -//C3H7 2 266.800 4.982 0.000 0.000 1.000 -//C4H6 2 357.000 5.180 0.000 0.000 1.000 -I*C3H7 2 266.800 4.982 0.000 0.000 1.000 -N*C3H7 2 266.800 4.982 0.000 0.000 1.000 -C3H8 2 266.800 4.982 0.000 0.000 1.000 -C4H 1 357.000 5.180 0.000 0.000 1.000 -C4H2 1 357.000 5.180 0.000 0.000 1.000 -//C4H2OH 2 224.700 4.162 0.000 0.000 1.000 ! * -//C4H8 2 357.000 5.176 0.000 0.000 1.000 -C4H9 2 357.000 5.176 0.000 0.000 1.000 -I*C4H9 2 357.000 5.176 0.000 0.000 1.000 -//C5H2 1 357.000 5.180 0.000 0.000 1.000 -//C5H3 1 357.000 5.180 0.000 0.000 1.000 -//C6H2 1 357.000 5.180 0.000 0.000 1.000 -//C6H5 2 412.300 5.349 0.000 0.000 1.000 ! JAM -//C6H5O 2 450.000 5.500 0.000 0.000 1.000 ! JAM -//C5H5OH 2 450.000 5.500 0.000 0.000 1.000 ! JAM -//C6H6 2 412.300 5.349 0.000 0.000 1.000 ! SVE -//C6H7 2 412.300 5.349 0.000 0.000 1.000 ! JAM -CH 1 80.000 2.750 0.000 0.000 0.000 -CH2 2 144.000 3.800 0.000 0.000 0.000 -CH2(S) 2 144.000 3.800 0.000 0.000 0.000 -//CH2* 1 144.000 3.800 0.000 0.000 0.000 -CH2CHCCH 2 357.000 5.180 0.000 0.000 1.000 ! JAM -CH2CHCCH2 2 357.000 5.180 0.000 0.000 1.000 ! JAM -CH2CHCH2 2 260.000 4.850 0.000 0.000 1.000 ! JAM -CH2CHCHCH 2 357.000 5.180 0.000 0.000 1.000 ! JAM -CH2CHCHCH2 2 357.000 5.180 0.000 0.000 1.000 ! JAM -CH2CO 2 436.000 3.970 0.000 0.000 2.000 -CH2O 2 498.000 3.590 0.000 0.000 2.000 -CH2OH 2 417.000 3.690 1.700 0.000 2.000 -CH3 2 144.000 3.800 0.000 0.000 0.000 -CH3CC 2 252.000 4.760 0.000 0.000 1.000 ! JAM -CH3CCCH2 2 357.000 5.180 0.000 0.000 1.000 ! JAM -CH3CCCH3 2 357.000 5.180 0.000 0.000 1.000 ! JAM -CH3CCH2 2 260.000 4.850 0.000 0.000 1.000 ! JAM -CH3CHCH 2 260.000 4.850 0.000 0.000 1.000 ! JAM -CH3CH2CCH 2 357.000 5.180 0.000 0.000 1.000 ! JAM -CH3CHO 2 436.000 3.970 0.000 0.000 2.000 -CH2CHO 2 436.000 3.970 0.000 0.000 2.000 -CH3CO 2 436.000 3.970 0.000 0.000 2.000 -CH3O 2 417.000 3.690 1.700 0.000 2.000 -CH3OH 2 481.800 3.626 0.000 0.000 1.000 ! SVE -CH4 2 141.400 3.746 0.000 2.600 13.000 -//CH4O 2 417.000 3.690 1.700 0.000 2.000 -//CN 1 75.000 3.856 0.000 0.000 1.000 ! OIS -//CNC 1 232.400 3.828 0.000 0.000 1.000 ! OIS -//CNN 1 232.400 3.828 0.000 0.000 1.000 ! OIS -CO 1 98.100 3.650 0.000 1.950 1.800 -CO2 1 244.000 3.763 0.000 2.650 2.100 -H 0 145.000 2.050 0.000 0.000 0.000 -//H2C4O 2 357.000 5.180 0.000 0.000 1.000 ! JAM -H2 1 38.000 2.920 0.000 0.790 280.000 -H2CCCCH 2 357.000 5.180 0.000 0.000 1.000 ! JAM -H2CCCCH2 2 357.000 5.180 0.000 0.000 1.000 ! JAM -H2CCCH 2 252.000 4.760 0.000 0.000 1.000 ! JAM -//H2CN 1 569.000 3.630 0.000 0.000 1.000 ! os/jm -//H2NO 2 116.700 3.492 0.000 0.000 1.000 ! JAM -H2O 2 572.400 2.605 1.844 0.000 4.000 -H2O2 2 107.400 3.458 0.000 0.000 3.800 -//HC2N2 1 349.000 4.361 0.000 0.000 1.000 ! OIS -HCCHCCH 2 357.000 5.180 0.000 0.000 1.000 ! JAM -HCCO 2 150.000 2.500 0.000 0.000 1.000 ! * -//HCNN 2 150.000 2.500 0.000 0.000 1.000 ! * -HCCOH 2 436.000 3.970 0.000 0.000 2.000 -//HCN 1 569.000 3.630 0.000 0.000 1.000 ! OIS -HCO 2 498.000 3.590 0.000 0.000 0.000 -//HE 0 10.200 2.576 0.000 0.000 0.000 ! * -//HCNO 2 232.400 3.828 0.000 0.000 1.000 ! JAM -//HOCN 2 232.400 3.828 0.000 0.000 1.000 ! JAM -//HNCO 2 232.400 3.828 0.000 0.000 1.000 ! OIS -//HNNO 2 232.400 3.828 0.000 0.000 1.000 ! * -//HNO 2 116.700 3.492 0.000 0.000 1.000 ! * -//HNOH 2 116.700 3.492 0.000 0.000 1.000 ! JAM -HO2 2 107.400 3.458 0.000 0.000 1.000 ! * -//N 0 71.400 3.298 0.000 0.000 0.000 ! * -//N2 1 97.530 3.621 0.000 1.760 4.000 -//N2H2 2 71.400 3.798 0.000 0.000 1.000 ! * -//N2H3 2 200.000 3.900 0.000 0.000 1.000 ! * -//N2H4 2 205.000 4.230 0.000 4.260 1.500 -//N2O 1 232.400 3.828 0.000 0.000 1.000 ! * -//NCN 1 232.400 3.828 0.000 0.000 1.000 ! OIS -//NCO 1 232.400 3.828 0.000 0.000 1.000 ! OIS -//NH 1 80.000 2.650 0.000 0.000 4.000 -//NH2 2 80.000 2.650 0.000 2.260 4.000 -//NH3 2 481.000 2.920 1.470 0.000 10.000 -//NNH 2 71.400 3.798 0.000 0.000 1.000 ! * -//NO 1 97.530 3.621 0.000 1.760 4.000 -//NCNO 2 232.400 3.828 0.000 0.000 1.000 ! OIS -//NO2 2 200.000 3.500 0.000 0.000 1.000 ! * -O 0 80.000 2.750 0.000 0.000 0.000 -O2 1 107.400 3.458 0.000 1.600 3.800 -OH 1 80.000 2.750 0.000 0.000 0.000 \ No newline at end of file diff --git a/output/RMG_database/transport_libraries/primaryTransportLibrary/Dictionary.txt b/output/RMG_database/transport_libraries/primaryTransportLibrary/Dictionary.txt deleted file mode 100644 index e35a3121fe..0000000000 --- a/output/RMG_database/transport_libraries/primaryTransportLibrary/Dictionary.txt +++ /dev/null @@ -1,26 +0,0 @@ -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - -H2O -1 O 0 - -H2O2 -1 O 0 {2,S} -2 O 0 {1,S} - -CO2 -1 O 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -CO -1 C 2T {2,D} -2 O 0 {1,D} - -H2S -1 S 0 \ No newline at end of file diff --git a/output/RMG_database/transport_libraries/primaryTransportLibrary/Library.txt b/output/RMG_database/transport_libraries/primaryTransportLibrary/Library.txt deleted file mode 100644 index e4f618312f..0000000000 --- a/output/RMG_database/transport_libraries/primaryTransportLibrary/Library.txt +++ /dev/null @@ -1,11 +0,0 @@ -// Name shapeIndex epsilon sigma dipoleMoment polarizability rotrelaxcollnum - -H2 1 59.700 2.8327 0.000 0.000 0.000 ! Value stored by RMG in Species.selectLJParametersForSpecialMolecule() -O2 1 106.700 3.467 0.000 0.000 0.000 ! Value stored by RMG in Species.selectLJParametersForSpecialMolecule() -H2O 2 809.100 2.641 0.000 1.760 4.000 ! Value stored by RMG in Species.selectLJParametersForSpecialMolecule() -H2O2 2 289.300 4.196 0.000 0.000 0.000 ! Value stored by RMG in Species.selectLJParametersForSpecialMolecule() -CO2 1 195.200 3.941 0.000 0.000 0.000 ! Value stored by RMG in Species.selectLJParametersForSpecialMolecule() -CO 1 91.700 3.690 0.000 1.760 4.000 ! Value stored by RMG in Species.selectLJParametersForSpecialMolecule() - -// Value for H2S -H2S 2 221.000 3.730 0.000 0.000 0.000 ! F.Salmoun and J.Dubessy; J. Raman Spectrosc. 25 (1994) 281-287 \ No newline at end of file diff --git a/output/RMG_database_sulfur/ForbiddenStructures.txt b/output/RMG_database_sulfur/ForbiddenStructures.txt deleted file mode 100644 index 81be16cb02..0000000000 --- a/output/RMG_database_sulfur/ForbiddenStructures.txt +++ /dev/null @@ -1,67 +0,0 @@ -//HCS -//1 C 1 {2,D} -//2 S 0 {1,D} - -S3 -1 S 0 {2,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} - -S3.. -1 S 1 {2,S} -2 S 0 {1,S} {3,S} -3 S 1 {2,S} - -O3 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} - -O3. -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 1 {2,S} - -O3.. -1 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 O 1 {2,S} - -O4 -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 0 {3,S} - -O4. -1 O 0 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 1 {3,S} - -O4.. -1 O 1 {2,S} -2 O 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 O 1 {3,S} - -Carbene_S -1 C 2T {2,S} -2 R!H 0 {1,S} - -Carbene_D -1 C 2T {2,D} -2 C 0 {1,D} - -CO3 -1 C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 O 0 {1,S} -4 O 0 {1,S} - - -CO3. -1 C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 O 1 {1,S} -4 O 0 {1,S} \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/CVS/Entries deleted file mode 100644 index 56e7d6dada..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/CVS/Entries +++ /dev/null @@ -1,4 +0,0 @@ -/dictionary.txt/1.1/Mon Jun 1 19:01:21 2009// -/rateLibrary.txt/1.1/Mon Jun 1 19:01:21 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.1/Mon Jun 1 19:01:21 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/CVS/Repository deleted file mode 100644 index dff983e2aa..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/1+2_Cycloaddition diff --git a/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/dictionary.txt deleted file mode 100644 index 17b0d5501c..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/dictionary.txt +++ /dev/null @@ -1,316 +0,0 @@ -//f15_1,2-cycloaddition -// SR checked, 1/31/2003 - -// JS, correct typo from: -// -// mb_o2_doublebond -// 1 *1 O 0 {2,D} -// 2 *2 O 0 {2,D} -// -// to -// -// mb_o2_doublebond -// 1 *1 O 0 {2,D} -// 2 *2 O 0 {1,D} -// -// 2/3/2003 - -elec_def -Union {carbene, me_carbene, dime_carbene, ph_carbene, o_atom} - -carbene -1 *3 C 2 {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -me_carbene -1 *3 C 2 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -dime_carbene -1 *3 C 2 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -ph_carbene -1 *3 C 2 {2,S} {3,S} -2 Cb 0 {1,S} {4,B} {5,B} -3 H 0 {1,S} -4 Cb 0 {2,B} {6,B} -5 Cb 0 {2,B} {7,B} -6 Cb 0 {4,B} {8,B} -7 Cb 0 {5,B} {8,B} -8 Cb 0 {6,B} {7,B} - -o_atom -1 *3 O 2 - -multiplebond -1 *1 {Cd,CO,O} 0 {2,D} -2 *2 {Cd,O} 0 {1,D} - -mb_carbonyl -1 *1 CO 0 {2,D} -2 *2 O 0 {1,D} - -mb_carbonyl_2H -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 O 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - -mb_carbonyl_HNd -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 O 0 {1,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} - -mb_carbonyl_HDe -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 O 0 {1,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_carbonyl_NdNd -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 O 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -mb_carbonyl_NdDe -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 O 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_carbonyl_DeDe -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_o2_doublebond -1 *1 O 0 {2,D} -2 *2 O 0 {1,D} - -mb_db -1 *1 Cd 0 {2,D} -2 *2 Cd 0 {1,D} - -mb_db_unsub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -mb_db_monosub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_monosub_Nd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_monosub_De -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_onecdisub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_onecdisub_Nd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_onecdisub_oneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_onecdisub_twoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_twocdisub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_twocdisub_Nd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_twocdisub_oneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_twocdisub_twoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_trisub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_trisub_Nd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_trisub_oneMDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_trisub_oneDDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_trisub_onectwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_trisub_twoctwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_trisub_threeDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_tetrasub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_tetrasub_Nd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_tetrasub_oneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_tetrasub_onectwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_tetrasub_twoctwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_tetrasub_threeDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_tetrasub_fourDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} diff --git a/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/rateLibrary.txt deleted file mode 100644 index 7975cf2b91..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/rateLibrary.txt +++ /dev/null @@ -1,19 +0,0 @@ -// rate library for f15: 1+2 cycloaddition - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// f15_1+2_cycloaddition -// rate constants from rate_library_4.txt, Cath, 03/07/28 - -//No. elec_def multiplebond Temp. A n a E0 DA Dn Da DE0 Rank -576. elec_def multiplebond 300-1500 1E+12 0 0 0 0 0 0 0 0 -577. carbene mb_db_unsub 296-728 1.98E+12 0 0 5.29 *3.2 0 0 0.26 3 -578. o_atom mb_o2_doublebond 300-2100 3.49E+12 0 0 0.46 0 0 0 0 3 -579. o_atom mb_db_unsub 300 7.0E+11 0 0 0 0 0 0 0 4 -580. o_atom mb_db_monosub_Nd 300 2.9E+12 0 0 0 0 0 0 0 4 -581. o_atom mb_db_monosub_Nd 275-360 4.2E+12 0 0 0.50 0 0 0 0 4 -582. o_atom mb_db_monosub_Nd 298-410 1.9E+12 0 0 0.80 *1.2 0 0 0.40 4 -583. o_atom mb_db_onecdisub_Nd 298-410 7.6E+12 0 0 0.10 *1.2 0 0 0.40 4 -584. o_atom mb_db_twocdisub_Nd 298 1.54E+13 0 0 0 0 0 0 0 4 -585. o_atom mb_db_tetrasub_Nd 298 3.18E+13 0 0 0 *1.2 0 0 0 4 diff --git a/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/reactionAdjList.txt deleted file mode 100644 index ba910c56f8..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/reactionAdjList.txt +++ /dev/null @@ -1,23 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 31, 2003 // -// // -////////////////////////////////////////////////////// - - -// f15 1,2-cycloaddition - -multiplebond + elec_def -> cycle - -forward -reverse(f16): Three_Ring_Cleavage - -Actions 1 -(1) CHANGE_BOND {*1,-1,*2} -(2) FORM_BOND {*1,S,*3} -(3) FORM_BOND {*2,S,*3} -(4) LOSE_RADICAL {*3,2} - - diff --git a/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/tree.txt b/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/tree.txt deleted file mode 100644 index 7525b87230..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1+2_Cycloaddition/tree.txt +++ /dev/null @@ -1,48 +0,0 @@ -// f15_1,2-cycloaddition to form tricyclic compd -// Jing try to remember the problem that I talked about for the double -// bond. *1 and *2 should always be interchanged to see the equivalence. -// SR checked on 1/31/2003 - -L1: elec_def - L2: carbene - L2: me_carbene - L2: dime_carbene - L2: ph_carbene - L2: o_atom -L1: multiplebond - L2: mb_carbonyl - L3: mb_carbonyl_2H - L3: mb_carbonyl_HNd - L3: mb_carbonyl_HDe - L3: mb_carbonyl_NdNd - L3: mb_carbonyl_NdDe - L3: mb_carbonyl_DeDe - L2: mb_o2_doublebond - L2: mb_db - L3: mb_db_unsub - L3: mb_db_monosub - L4: mb_db_monosub_Nd - L4: mb_db_monosub_De - L3: mb_db_onecdisub - L4: mb_db_onecdisub_Nd - L4: mb_db_onecdisub_oneDe - L4: mb_db_onecdisub_twoDe - L3: mb_db_twocdisub - L4: mb_db_twocdisub_Nd - L4: mb_db_twocdisub_oneDe - L4: mb_db_twocdisub_twoDe - L3: mb_db_trisub - L4: mb_db_trisub_Nd - L4: mb_db_trisub_oneMDe - L4: mb_db_trisub_oneDDe - L4: mb_db_trisub_onectwoDe - L4: mb_db_trisub_twoctwoDe - L4: mb_db_trisub_threeDe - L3: mb_db_tetrasub - L4: mb_db_tetrasub_Nd - L4: mb_db_tetrasub_oneDe - L4: mb_db_tetrasub_onectwoDe - L4: mb_db_tetrasub_twoctwoDe - L4: mb_db_tetrasub_threeDe - L4: mb_db_tetrasub_fourDe - \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/CVS/Entries deleted file mode 100644 index 4666dd1c5c..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/CVS/Entries +++ /dev/null @@ -1,4 +0,0 @@ -/dictionary.txt/1.3/Tue Jun 30 15:21:36 2009// -/rateLibrary.txt/1.3/Thu Jun 11 20:25:35 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.2/Fri Jun 12 21:36:57 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/CVS/Repository deleted file mode 100644 index eac4b40a8c..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/1,2_Insertion diff --git a/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/dictionary.txt deleted file mode 100644 index 430ad4ceb5..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/dictionary.txt +++ /dev/null @@ -1,330 +0,0 @@ -//f11 : carbon monoxide insertion reaction (1,2-insertion) C.D.W. 01/29/03 - -CO_birad -1 *1 C 2 {2,D} -2 O 0 {1,D} - -RR' -Union {R_H,R_R'} - -R_H -1 *2 {H,Cs,Cd,Cb,Sis,Sid} 0 {2,S} -2 *3 H 0 {1,S} - -H2 -1 *2 H 0 {2,S} -2 *3 H 0 {1,S} - -Cs_H -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} -5 R 0 {1,S} - -C_methane -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -C_pri -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {R!H} 0 {1,S} - -C_pri/NonDeC -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {1,S} - -C_pri/NonDeO -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 O 0 {1,S} - -C_pri/De -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {1,S} - -C_sec -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {1,S} - -C/H2/NonDeC -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -C/H2/NonDeO -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H2/CsO -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} -5 Cs 0 {1,S} - -C/H2/O2 -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} -5 O 0 {1,S} - -C/H2/OneDe -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H2/OneDeC -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 Cs 0 {1,S} - -C/H2/OneDeO -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 O 0 {1,S} - -C/H2/TwoDe -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 {Cd,Ct,CO,Cb} 0 {1,S} - -C_ter -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {1,S} - -C/H/NonDeC -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/Cs3 -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -C/H/NDMustO -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/OneDe -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/Cs2 -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -C/H/ODMustO -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/TwoDe -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/Cs -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Cs 0 {1,S} - -C/H/TDMustO -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 O 0 {1,S} - -C/H/ThreeDe -1 *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_H -1 *2 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *3 H 0 {1,S} -4 R 0 {1,S} - -Cd_pri -1 *2 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *3 H 0 {1,S} -4 H 0 {1,S} - -Cd_sec -1 *2 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *3 H 0 {1,S} -4 {R!H} 0 {1,S} - -Cd/H/NonDeC -1 *2 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *3 H 0 {1,S} -4 Cs 0 {1,S} - -Cd/H/NonDeO -1 *2 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *3 H 0 {1,S} -4 O 0 {1,S} - -Cd/H/OneDe -1 *2 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cb_H -1 *2 Cb 0 {2,B}, {3,B}, {4,S} -2 {Cb,Cbf} 0 {1,B} -3 {Cb,Cbf} 0 {1,B} -4 *3 H 0 {1,S} - -R_R' -1 *2 {Cs,Sis} 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 {Cs,Cd,Cb,Sis,Sid} 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -Cs_Cs -1 *2 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -C_methyl_C_methyl -1 *2 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 Cs 0 {1,S}, {6,S}, {7,S}, {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 H 0 {2,S} - -C_methyl_C_pri -1 *2 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 Cs 0 {1,S}, {6,S}, {7,S}, {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 C 0 {2,S} - -C_methyl_C_sec -1 *2 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 Cs 0 {1,S}, {6,S}, {7,S}, {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 C 0 {2,S} -8 C 0 {2,S} - -C_methyl_C_ter -1 *2 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 Cs 0 {1,S}, {6,S}, {7,S}, {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {2,S} -7 C 0 {2,S} -8 C 0 {2,S} - -Cs_Cd -1 *2 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -C_methyl_Cd_pri -1 *2 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 Cd 0 {1,S}, {6,S}, {7,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 C 0 {2,D} - -C_methyl_Cd_sec -1 *2 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 Cd 0 {1,S}, {6,S}, {7,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {2,S} -7 C 0 {2,D} - -Cs_Cb -1 *2 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *3 Cb 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - - - diff --git a/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/rateLibrary.txt deleted file mode 100644 index c8deffbc1f..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/rateLibrary.txt +++ /dev/null @@ -1,22 +0,0 @@ -// rate library for f11: 1,2 insertion - - - -// JS, define key word for format of the rate: either Arrhenius or Arrhenius_EP - -Arrhenius_EP - - - -// f11_1,2_insertion - -// rate constants from rate_library_4.txt, Cath, 03/07/28 - -//No. CO_birad RR' Temp. A N a E0 DA Dn Da DE0 Rank -553. CO_birad RR' 300-1500 1E+05 2 0 80 0 0 0 0 0 -554. CO_birad C_methyl_C_methyl 300-1500 5.38E+02 3.29 0 104.5 0 0 0 0 2 -555. CO_birad H2 300-1500 2.89E+09 1.16 0 82.1 0 0 0 0 2 -556. CO_birad C_methane 300-1500 1.64E+04 2.86 0 86.9 0 0 0 0 2 -557. CO_birad C_pri/NonDeC 300-1500 9.14E+04 2.53 0 85.5 0 0 0 0 2 -558. CO_birad C/H2/NonDeC 300-1500 7.66E+05 2.07 0 82.2 0 0 0 0 2 -559. CO_birad C/H/Cs3 300-1500 8.89E+07 1.51 0 79.2 0 0 0 0 2 diff --git a/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/reactionAdjList.txt deleted file mode 100644 index a3492cec77..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/reactionAdjList.txt +++ /dev/null @@ -1,24 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 29, 2003 // -// // -////////////////////////////////////////////////////// - - -// f11 1,2_insertion - -CO_birad + RR' -> R_CO_R' - -forward -reverse(f12): 1,1_Elimination - -Actions 1 -(1) BREAK_BOND {*2,S,*3} -(2) FORM_BOND {*1,S,*2} -(3) FORM_BOND {*1,S,*3} -(4) LOSE_RADICAL {*1,2} - - - diff --git a/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/tree.txt b/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/tree.txt deleted file mode 100644 index 0ff6738ff2..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,2_Insertion/tree.txt +++ /dev/null @@ -1,61 +0,0 @@ -//f11 : insertion reaction (1,2-insertion) C.D.W. 01/29/03 - -// note from sumathy: the reason to get rid of CH2 and Oa : -// In F11, I have now removed CH2 and O insertion. I am restricting myself -// to the CO insertion to C-H and C-C bond giving rise to "Aldehyde" and -// "Ketone" for this reaction family. The other reactions seem not to be -// favourable.Especially with CH2T and Oat it is not possible. It has to be -// singlet. I now feel it is not necessary. - -L1: CO_birad - -L1: RR' - L2: R_H - L3: H2 - L3: Cs_H - L4: C_methane - L4: C_pri - L5: C_pri/NonDeC - L5: C_pri/NonDeO - L5: C_pri/De - L4: C_sec - L5: C/H2/NonDeC - L5: C/H2/NonDeO - L6: C/H2/CsO - L6: C/H2/O2 - L5: C/H2/OneDe - L6: C/H2/OneDeC - L6: C/H2/OneDeO - L5: C/H2/TwoDe - L4: C_ter - L5: C/H/NonDeC - L6: C/H/Cs3 - L6: C/H/NDMustO - L5: C/H/OneDe - L6: C/H/Cs2 - L6: C/H/ODMustO - L5: C/H/TwoDe - L6: C/H/Cs - L6: C/H/TDMustO - L5: C/H/ThreeDe - L3: Cd_H - L4: Cd_pri - L4: Cd_sec - L5: Cd/H/NonDeC - L5: Cd/H/NonDeO - L5: Cd/H/OneDe - L3: Cb_H - L2: R_R' - L3: Cs_Cs - L4: C_methyl_C_methyl - L4: C_methyl_C_pri - L4: C_methyl_C_sec - L4: C_methyl_C_ter - - L3: Cs_Cd - L4: C_methyl_Cd_pri - L4: C_methyl_Cd_sec - - L3: Cs_Cb - - diff --git a/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/CVS/Entries deleted file mode 100644 index 04c3fd041e..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/CVS/Entries +++ /dev/null @@ -1,5 +0,0 @@ -/comments.txt/1.1/Wed Aug 5 18:25:54 2009// -/dictionary.txt/1.2/Tue Jun 9 16:08:43 2009// -/rateLibrary.txt/1.3/Wed Aug 5 21:29:37 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.2/Fri Jun 12 21:36:57 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/CVS/Repository deleted file mode 100644 index a0b71d758d..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/intra_H_migration diff --git a/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/dictionary.txt deleted file mode 100644 index 5dab7dbffb..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/dictionary.txt +++ /dev/null @@ -1,716 +0,0 @@ -XSYJ -1 *1 {R!H} 0 {2,S} -2 *2 S 0 {1,S} {3,S} -3 *3 {R!H} 1 {2,S} - -// -// YJ-Ss tree -// - -YJ-Ss -1 *3 {R!H} 1 - -CJ-Ss -1 *3 C 1 - -CsJ-Ss -1 *3 Cs 1 {2,S} {3,S} -2 R 0 {1,S} -3 R 0 {1,S} - -CsJ-SsHH -1 *3 Cs 1 {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -CsJ-SsCsH -1 *3 Cs 1 {2,S} {3,S} -2 Cs 0 {1,S} -3 H 0 {1,S} - -CsJ-SsCsCs -1 *3 Cs 1 {2,S} {3,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} - -CsJ-SsSsH -1 *3 Cs 1 {2,S} {3,S} -2 Ss 0 {1,S} -3 H 0 {1,S} - -CsJ-SsSsSs -1 *3 Cs 1 {2,S} {3,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} - -CsJ-SsCsSs -1 *3 Cs 1 {2,S} {3,S} -2 Cs 0 {1,S} -3 Ss 0 {1,S} - -CsJ-SsOneDe -1 *3 Cs 1 {2,S} {3,S} -2 R 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-SsOneDeH -1 *3 Cs 1 {2,S} {3,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-SsCdH -1 *3 Cs 1 {2,S} {3,S} -2 H 0 {1,S} -3 Cd 0 {1,S} - -CsJ-SsOneDeCs -1 *3 Cs 1 {2,S} {3,S} -2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-SsCdCs -1 *3 Cs 1 {2,S} {3,S} -2 Cs 0 {1,S} -3 Cd 0 {1,S} - -CsJ-SsOneDeSs -1 *3 Cs 1 {2,S} {3,S} -2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-SsCdSs -1 *3 Cs 1 {2,S} {3,S} -2 Ss 0 {1,S} -3 Cd 0 {1,S} - -CdsJ-Ss -1 *3 Cd 1 {2,D} -2 C 0 {1,D} - -SJ-Ss -1 *3 Ss 1 - -// -// X-Ss Tree -// - -X-Ss -union {C-Ss} - -C-Ss -1 *1 C 0 - -Cs-Ss -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -Cs-SsHHH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs-SsCsHH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs-SsCsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cs-SsCsCsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsOsHH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs-SsOsOsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 H 0 {1,S} - -Cs-SsOsOsOs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} - -Cs-SsSsHH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs-SsSsSsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -Cs-SsSsSsSs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -Cs-SsOsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cs-SsOsCsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsOsOsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsSsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cs-SsSsCsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsSsSsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsOneDe -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {H,Cs,Os,Ss} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -Cs-SsOneDeHH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs-SsCdHH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -Cs-SsCtHH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs-SsCbHH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs-SsCOHH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs-SsC=SHH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 Sd 0 {2,D} - -Cs-SsOneDeCsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cs-SsCdCsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -Cs-SsCtCsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cs-SsCbCsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cs-SsCOCsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cs-SsC=SCsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Sd 0 {2,D} - -Cs-SsOneDeCsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsCdCsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -Cs-SsCtCsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsCbCsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsCOCsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsC=SCsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Sd 0 {2,D} - -Cs-SsOneDeOsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 H 0 {1,S} - -Cs-SsOneDeSsH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -Cs-SsOneDeOsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsOneDeOsOs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} - -Cs-SsOneDeOsSs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Ss 0 {1,S} - -Cs-SsOneDeSsCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsOneDeSsSs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -Cs-SsTwoDe -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -Cs-SsTwoDeH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -Cs-SsCdCdH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -Cs-SsCdCtH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -Cs-SsCdCbH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -Cs-SsCdCOH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 CO 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -Cs-SsCdC=SH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 C 0 {2,D} -6 Sd 0 {3,D} - -Cs-SsCtCtH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ct 0 {1,S} -4 H 0 {1,S} - -Cs-SsCtCbH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cb 0 {1,S} -4 H 0 {1,S} - -Cs-SsCtCOH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -Cs-SsCtC=SH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -Cs-SsCbCbH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cb 0 {1,S} -4 H 0 {1,S} - -Cs-SsCbCOH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -Cs-SsCbC=SH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -Cs-SsCOCOH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -Cs-SsCOC=SH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -Cs-SsC=SC=SH -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 Sd 0 {2,D} -6 Sd 0 {3,D} - -Cs-SsTwoDeCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsCdCdCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -Cs-SsCdCtCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -Cs-SsCdCbCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -Cs-SsCdCOCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 CO 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -Cs-SsCdC=SCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 C 0 {2,D} -6 Sd 0 {3,D} - -Cs-SsCtCtCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsCtCbCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsCtCOCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsCtC=SCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -Cs-SsCbCbCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsCbCOCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsCbC=SCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -Cs-SsCOCOCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -Cs-SsCOC=SCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -Cs-SsC=SC=SCs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 Sd 0 {2,D} -6 Sd 0 {3,D} - -Cs-SsTwoDeOs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Os 0 {1,S} - -Cs-SsTwoDeSs -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -Cs-SsThreeDe -1 *1 C 0 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cds-Ss -1 *1 C 0 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -Cds-SsH -1 *1 C 0 {2,D}, {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -Cds-SsCs -1 *1 C 0 {2,D}, {3,S} -2 C 0 {1,D} -3 Cs 0 {1,S} - -Cds-SsCd -1 *1 C 0 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -Cds-SsCt -1 *1 C 0 {2,D}, {3,S} -2 C 0 {1,D} -3 Ct 0 {1,S} - -Cds-SsCb -1 *1 C 0 {2,D}, {3,S} -2 C 0 {1,D} -3 Cb 0 {1,S} - -Cds-SsCO -1 *1 C 0 {2,D}, {3,S} -2 C 0 {1,D} -3 CO 0 {1,S} - -Cds-SsC=S -1 *1 C 0 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 Sd 0 {3,D} - -Cds-SsOs -1 *1 C 0 {2,D}, {3,S} -2 C 0 {1,D} -3 Os 0 {1,S} - -Cds-SsSs -1 *1 C 0 {2,D}, {3,S} -2 C 0 {1,D} -3 Ss 0 {1,S} - -Ct-Ss -1 *1 Ct 0 {2,T} -2 C 0 {1,T} - -Cb-Ss -1 *1 Cb 0 - -C=S-Ss -1 *1 Cd 0 {2,D}, {3,S} -2 Sd 0 {1,D} -3 R 0 {1,S} - -C=S-SsH -1 *1 Cd 0 {2,D}, {3,S} -2 Sd 0 {1,D} -3 H 0 {1,S} - -C=S-SsCs -1 *1 Cd 0 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cs 0 {1,S} - -C=S-SsCd -1 *1 Cd 0 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -C=S-SsCt -1 *1 Cd 0 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Ct 0 {1,S} - -C=S-SsCb -1 *1 Cd 0 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cb 0 {1,S} - -C=S-SsCO -1 *1 Cd 0 {2,D}, {3,S} -2 Sd 0 {1,D} -3 CO 0 {1,S} - -C=S-SsC=S -1 *1 Cd 0 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 Sd 0 {3,D} - -C=S-SsOs -1 *1 Cd 0 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Os 0 {1,S} - -C=S-SsSs -1 *1 Cd 0 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Ss 0 {1,S} \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/rateLibrary.txt deleted file mode 100644 index 57f396d9ed..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/rateLibrary.txt +++ /dev/null @@ -1,6 +0,0 @@ - -Arrhenius_EP - -// CBS-QB3 calculations - -1 XSYJ YJ-Ss X-Ss 300-1500 1E+08 2 0 40 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO diff --git a/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/reactionAdjList.txt deleted file mode 100644 index 5d53eef18e..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/reactionAdjList.txt +++ /dev/null @@ -1,25 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan. 20, 2003 // -// // -////////////////////////////////////////////////////// - - -// f01 Intramolecular substitution on S -// migrating group *1 -// sulfur atom *2 -// radical centre *3 - -XSYJ -> XSYJ - -forward -reverse(f08): 1,2_S_radical_shift - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) FORM_BOND {*1,S,*3} -(3) GAIN_RADICAL {*2,1} -(4) LOSE_RADICAL {*3,1} - diff --git a/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/tree.txt b/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/tree.txt deleted file mode 100644 index 4499f1dc9e..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,2_shiftS/tree.txt +++ /dev/null @@ -1,133 +0,0 @@ -// 1,2_shiftS - -L1: XSYJ - -// YJ-Ss tree - -L1: YJ-Ss - L2: CJ-Ss - L3: CsJ-Ss - L4: CsJ-SsHH - L4: CsJ-SsCsH - L4: CsJ-SsCsCs - L4: CsJ-SsSsH - L4: CsJ-SsSsSs - L4: CsJ-SsCsSs - L4: CsJ-SsOneDe - L5: CsJ-SsOneDeH - L6: CsJ-SsCdH - L5: CsJ-SsOneDeCs - L6: CsJ-SsCdCs - L5: CsJ-SsOneDeSs - L6: CsJ-SsCdSs - L3: CdsJ-Ss - L2: SJ-Ss - -// The X-Ss tree is equal to the radical tree - -L1: X-Ss -// L2: H-Ss this is a intra H shift - L2: C-Ss - L3: Cs-Ss - L4: Cs-SsHHH - L4: Cs-SsCsHH - L4: Cs-SsCsCsH - L4: Cs-SsCsCsCs - L4: Cs-SsOsHH - L4: Cs-SsOsCsH - L4: Cs-SsOsCsCs - L4: Cs-SsOsOsH - L4: Cs-SsOsOsCs - L4: Cs-SsOsOsOs - L4: Cs-SsSsHH - L4: Cs-SsSsCsH - L4: Cs-SsSsCsCs - L4: Cs-SsSsSsH - L4: Cs-SsSsSsCs - L4: Cs-SsSsSsSs - L4: Cs-SsOneDe - L5: Cs-SsOneDeHH - L6: Cs-SsCdHH - L6: Cs-SsCtHH - L6: Cs-SsCbHH - L6: Cs-SsCOHH - L6: Cs-SsC=SHH - L5: Cs-SsOneDeCsH - L6: Cs-SsCdCsH - L6: Cs-SsCtCsH - L6: Cs-SsCbCsH - L6: Cs-SsCOCsH - L6: Cs-SsC=SCsH - L5: Cs-SsOneDeOsH - L5: Cs-SsOneDeSsH - L5: Cs-SsOneDeCsCs - L6: Cs-SsCdCsCs - L6: Cs-SsCtCsCs - L6: Cs-SsCbCsCs - L6: Cs-SsCOCsCs - L6: Cs-SsC=SCsCs - L5: Cs-SsOneDeOsCs - L5: Cs-SsOneDeSsCs - L5: Cs-SsOneDeOsOs - L5: Cs-SsOneDeOsSs - L5: Cs-SsOneDeSsSs - L4: Cs-SsTwoDe - L5: Cs-SsTwoDeH - L6: Cs-SsCdCdH - L6: Cs-SsCdCtH - L6: Cs-SsCdCbH - L6: Cs-SsCdCOH - L6: Cs-SsCdC=SH - L6: Cs-SsCtCtH - L6: Cs-SsCtCbH - L6: Cs-SsCtCOH - L6: Cs-SsCtC=SH - L6: Cs-SsCbCbH - L6: Cs-SsCbCOH - L6: Cs-SsCbC=SH - L6: Cs-SsCOCOH - L6: Cs-SsCOC=SH - L6: Cs-SsC=SC=SH - L5: Cs-SsTwoDeCs - L6: Cs-SsCdCdCs - L6: Cs-SsCdCtCs - L6: Cs-SsCdCbCs - L6: Cs-SsCdCOCs - L6: Cs-SsCdC=SCs - L6: Cs-SsCtCtCs - L6: Cs-SsCtCbCs - L6: Cs-SsCtCOCs - L6: Cs-SsCtC=SCs - L6: Cs-SsCbCbCs - L6: Cs-SsCbCOCs - L6: Cs-SsCbC=SCs - L6: Cs-SsCOCOCs - L6: Cs-SsCOC=SCs - L6: Cs-SsC=SC=SCs - L5: Cs-SsTwoDeOs - L5: Cs-SsTwoDeSs - L4: Cs-SsThreeDe - L3: Cds-Ss - L4: Cds-SsH - L4: Cds-SsCs - L4: Cds-SsCd - L4: Cds-SsCt - L4: Cds-SsCb - L4: Cds-SsCO - L4: Cds-SsC=S - L4: Cds-SsOs - L4: Cds-SsSs - L3: Ct-Ss - L3: Cb-Ss - L3: C=S-Ss - L4: C=S-SsH - L4: C=S-SsCs - L4: C=S-SsCd - L4: C=S-SsCt - L4: C=S-SsCb - L4: C=S-SsCO - L4: C=S-SsC=S - L4: C=S-SsOs - L4: C=S-SsSs - -// NO S-Ss = same reactions as substitution S isomerization diff --git a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/CVS/Entries deleted file mode 100644 index 1e221dd6f3..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/CVS/Entries +++ /dev/null @@ -1,4 +0,0 @@ -/dictionary.txt/1.2/Tue Jun 30 15:23:18 2009// -/rateLibrary.txt/1.1/Mon Jun 1 19:01:21 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.2/Fri Jun 12 21:36:57 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/CVS/Repository deleted file mode 100644 index 8d09827b88..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/1,3_Insertion_CO2 diff --git a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/dictionary.txt deleted file mode 100644 index 6c9ae63a93..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/dictionary.txt +++ /dev/null @@ -1,339 +0,0 @@ -//f13 : 1,3-insertion reaction C.D.W. 01/29/03 - -// Cat, I am sorry to modify it so differently. I think I was wrong while discussing -// with you. We will consider only co2 and H2O or HOR elimination -// from acid and ester in this reaction family. - -CO2 -Union {CO2_Od,CO2_Cdd} - -CO2_Od -1 *2 Cdd 0 {2,D} {3,D} -2 *1 Od 0 {1,D} -3 Od 0 {1,D} - -CO2_Cdd -1 *1 Cdd 0 {2,D} {3,D} -2 *2 Od 0 {1,D} -3 Od 0 {1,D} - -RR' -Union {R_H,R_R'} - -R_H -1 *3 {H,Cs,Cd,Cb,Sis,Sid} 0 {2,S} -2 *4 H 0 {1,S} - -H2 -1 *3 H 0 {2,S} -2 *4 H 0 {1,S} - -Cs_H -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} -5 R 0 {1,S} - -C_methane -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -C_pri -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {R!H} 0 {1,S} - -C_pri/NonDeC -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {1,S} - -C_pri/NonDeO -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {1,S} - -C_pri/De -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {1,S} - -C_sec -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {1,S} - -C/H2/NonDeC -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -C/H2/NonDeO -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H2/CsO -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} -5 Cs 0 {1,S} - -C/H2/O2 -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} -5 O 0 {1,S} - -C/H2/OneDe -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H2/OneDeC -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 Cs 0 {1,S} - -C/H2/OneDeO -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 O 0 {1,S} - -C/H2/TwoDe -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 H 0 {1,S} -4 {Cd,Ct,CO,Cb} 0 {1,S} -5 {Cd,Ct,CO,Cb} 0 {1,S} - -C_ter -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {1,S} - -C/H/NonDeC -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/Cs3 -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -C/H/NDMustO -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/OneDe -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/Cs2 -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -C/H/ODMustO -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/TwoDe -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {1,S} - -C/H/Cs -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Cs 0 {1,S} - -C/H/TDMustO -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 O 0 {1,S} - -C/H/ThreeDe -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_H -1 *3 Cd 0 {2,D}, {3,S}, {4,S} -2 Cd 0 {1,D} -3 *4 H 0 {1,S} -4 R 0 {1,S} - -Cd_pri -1 *3 Cd 0 {2,D}, {3,S}, {4,S} -2 Cd 0 {1,D} -3 *4 H 0 {1,S} -4 H 0 {1,S} - -Cd_sec -1 *3 Cd 0 {2,D}, {3,S}, {4,S} -2 Cd 0 {1,D} -3 *4 H 0 {1,S} -4 {R!H} 0 {1,S} - -Cd/H/NonDeC -1 *3 Cd 0 {2,D}, {3,S}, {4,S} -2 Cd 0 {1,D} -3 *4 H 0 {1,S} -4 Cs 0 {1,S} - -Cd/H/NonDeO -1 *3 Cd 0 {2,D}, {3,S}, {4,S} -2 Cd 0 {1,D} -3 *4 H 0 {1,S} -4 Os 0 {1,S} - -Cd/H/OneDe -1 *3 Cd 0 {2,D}, {3,S}, {4,S} -2 Cd 0 {1,D} -3 *4 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cb_H -1 *3 Cb 0 {2,B}, {3,S} -2 {Cb,Cbf} 0 {1,B} -3 *4 H 0 {1,S} - -R_R' -1 *3 {Cs,Sis} 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 {Cs,Cd,Cb,Sis,Sid} 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -Cs_Cs -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -C_methyl_C_methyl -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Cs 0 {1,S}, {6,S}, {7,S}, {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 H 0 {2,S} - -C_methyl_C_pri -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Cs 0 {1,S}, {6,S}, {7,S}, {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 C 0 {2,S} - -C_methyl_C_sec -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Cs 0 {1,S}, {6,S}, {7,S}, {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 C 0 {2,S} -8 C 0 {2,S} - -C_methyl_C_ter -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Cs 0 {1,S}, {6,S}, {7,S}, {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {2,S} -7 C 0 {2,S} -8 C 0 {2,S} - -Cs_Cd -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -C_methyl_Cd_pri -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Cd 0 {1,S}, {6,S}, {7,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 C 0 {2,D} - -C_methyl_Cd_sec -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Cd 0 {1,S}, {6,S}, {7,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {2,S} -7 C 0 {2,D} - -Cs_Cb -1 *3 Cs 0 {2,S}, {3,S} {4,S}, {5,S} -2 *4 Cb 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - diff --git a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/rateLibrary.txt deleted file mode 100644 index 079b016fa1..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/rateLibrary.txt +++ /dev/null @@ -1,20 +0,0 @@ -// rate library for f13: 1,3 insertion for CO2 - - - -// JS, define key word for format of the rate: either Arrhenius or Arrhenius_EP - -Arrhenius_EP - - - -//f13_1,3_insertion_CO2 - -// rate constants from rate_library_4.txt, Cath, 03/07/28 - -//No. CO2 RR' Temp. A N a E0 DA Dn Da DE0 Rank -571. CO2 RR' 300-1500 1E+05 2 0 75 0 0 0 0 0 -572. CO2_Cdd H2 300-1500 1.51E+09 1.23 0 73.9 0 0 0 0 2 -573. CO2_Cdd C_methane 300-1500 4.53E+03 2.83 0 79.2 0 0 0 0 2 -574. CO2_Cdd C_pri/NonDeC 300-1500 1.09E+04 2.56 0 76.6 0 0 0 0 2 -575. CO2_Cdd C/H2/NonDeC 300-1500 1.06E+05 2.13 0 77.0 0 0 0 0 2 diff --git a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/reactionAdjList.txt deleted file mode 100644 index 6ade730dec..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/reactionAdjList.txt +++ /dev/null @@ -1,25 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 29, 2003 // -// // -////////////////////////////////////////////////////// - - -// f13 1,3_insertion_CO2 - -CO2 + RR' -> R_(CO2)_R' - -forward -reverse(f14): 1,2_Elimination_CO2 - -Actions 1 -(1) BREAK_BOND {*3,S,*4} -(2) CHANGE_BOND {*1,-1,*2} -(3) FORM_BOND {*1,S,*3} -(4) FORM_BOND {*2,S,*4} - - - - diff --git a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/tree.txt b/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/tree.txt deleted file mode 100644 index 351e065d64..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_CO2/tree.txt +++ /dev/null @@ -1,52 +0,0 @@ -L1: CO2 - L2: CO2_Od - L2: CO2_Cdd - -L1: RR' - L2: R_H - L3: H2 - L3: Cs_H - L4: C_methane - L4: C_pri - L5: C_pri/NonDeC - L5: C_pri/NonDeO - L5: C_pri/De - L4: C_sec - L5: C/H2/NonDeC - L5: C/H2/NonDeO - L6: C/H2/CsO - L6: C/H2/O2 - L5: C/H2/OneDe - L6: C/H2/OneDeC - L6: C/H2/OneDeO - L5: C/H2/TwoDe - L4: C_ter - L5: C/H/NonDeC - L6: C/H/Cs3 - L6: C/H/NDMustO - L5: C/H/OneDe - L6: C/H/Cs2 - L6: C/H/ODMustO - L5: C/H/TwoDe - L6: C/H/Cs - L6: C/H/TDMustO - L5: C/H/ThreeDe - L3: Cd_H - L4: Cd_pri - L4: Cd_sec - L5: Cd/H/NonDeC - L5: Cd/H/NonDeO - L5: Cd/H/OneDe - L3: Cb_H - L2: R_R' - L3: Cs_Cs - L4: C_methyl_C_methyl - L4: C_methyl_C_pri - L4: C_methyl_C_sec - L4: C_methyl_C_ter - - L3: Cs_Cd - L4: C_methyl_Cd_pri - L4: C_methyl_Cd_sec - - L3: Cs_Cb diff --git a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/CVS/Entries deleted file mode 100644 index c6f75c2400..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/CVS/Entries +++ /dev/null @@ -1,4 +0,0 @@ -/dictionary.txt/1.3/Tue Jun 30 15:19:40 2009// -/rateLibrary.txt/1.1/Mon Jun 1 19:01:21 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.2/Fri Jun 12 21:36:57 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/CVS/Repository deleted file mode 100644 index 40cdda4ba3..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/1,3_Insertion_ROR diff --git a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/dictionary.txt deleted file mode 100644 index feae0b5338..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/dictionary.txt +++ /dev/null @@ -1,598 +0,0 @@ -// Cat, I have split the 1,2 elimination reaction -//into elimination of CO2 and elimination of -//HOR - -doublebond -Union {Cd_Cdd, Cdd_Cd, Cd_Cd} - -Cd_Cdd -1 *1 Cd 0 {2,D} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} - -cco_2H -1 *1 Cd 0 {2,D}, {4,S}, {5,S} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} -4 H 0 {1,S} -5 H 0 {1,S} - -cco_HNd -1 *1 Cd 0 {2,D}, {4,S}, {5,S} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} -4 H 0 {1,S} -5 {Cs,O} 0 {1,S} - -cco_HDe -1 *1 Cd 0 {2,D}, {4,S}, {5,S} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {1,S} - -cco_Nd2 -1 *1 Cd 0 {2,D}, {4,S}, {5,S} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {1,S} - -cco_NdDe -1 *1 Cd 0 {2,D}, {4,S}, {5,S} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} -4 {Cs,O} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {1,S} - -cco_De2 -1 *1 Cd 0 {2,D}, {4,S}, {5,S} -2 *2 Cdd 0 {1,D}, {3,D} -3 Od 0 {2,D} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {1,S} - -Cdd_Cd -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} -3 Od 0 {1,D} - -Cdd_Cd_2H -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D}, {4,S}, {5,S} -3 Od 0 {1,D} -4 H 0 {2,S} -5 H 0 {2,S} - -Cdd_Cd_HNd -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D}, {4,S}, {5,S} -3 Od 0 {1,D} -4 H 0 {2,S} -5 {Cs,O} 0 {2,S} - -Cdd_Cd_HDe -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D}, {4,S}, {5,S} -3 Od 0 {1,D} -4 H 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -Cdd_Cd_Nd2 -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D}, {4,S}, {5,S} -3 Od 0 {1,D} -4 {Cs,O} 0 {2,S} -5 {Cs,O} 0 {2,S} - -Cdd_Cd_NdDe -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D}, {4,S}, {5,S} -3 Od 0 {1,D} -4 {Cs,O} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -Cdd_Cd_De2 -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D}, {4,S}, {5,S} -3 Od 0 {1,D} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -Cd_Cd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 R 0 {1,S} -4 R 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cd/unsub_Cd/unsub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/unsub_Cd/monosub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -Cd/H2_Cd/H/Nd -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -Cd/H2_Cd/H/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cd/monosub_Cd/unsub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/H/Nd_Cd/H2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/H/De_Cd/H2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/unsub_Cd/disub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -Cd/H2_Cd/Nd2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -Cd/H2_Cd/Nd/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cd/H2_Cd/De2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cd/disub_Cd/unsub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/Nd2_Cd/H2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/NdDe_Cd/H2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/De2_Cd/H2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cd/monosub_Cd/monosub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -Cd/H/Nd_Cd/H/Nd -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -Cd/H/Nd_Cd/H/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cd/H/De_Cd/H/Nd -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -Cd/H/De_Cd/H/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cd/monosub_Cd/disub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -Cd/H/Nd_Cd/Nd2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -Cd/H/Nd_Cd/Nd/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cd/H/Nd_Cd/De2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cd/H/De_Cd/Nd2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -Cd/H/De_Cd/Nd/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cd/H/De_Cd/De2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cd/disub_Cd/monosub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -Cd/Nd2_Cd/H/Nd -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -Cd/Nd2_Cd/H/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cd/De2_Cd/H/Nd -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -Cd/De2_Cd/H/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cd/Nd/De_Cd/H/Nd -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -Cd/Nd/De_Cd/H/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cd/disub_Cd/disub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -Cd/Nd2_Cd/Nd2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -Cd/Nd2_Cd/Nd/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cd/Nd2_Cd/De2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cd/Nd/De_Cd/Nd2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -Cd/Nd/De_Cd/Nd/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cd/Nd/De_Cd/De2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cd/De2_Cd/Nd2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -Cd/De2_Cd/Nd/De -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cd/De2_Cd/De2 -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 *2 C 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -R_OR -Union {H_OR,R_OH} - -H_OR -1 *3 H 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 {H,Cs,Cd,Sis,Sid} 0 {2,S} - -H_OH -1 *3 H 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 H 0 {2,S} - -H_OCs -1 *3 H 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cs 0 {2,S} - -H_OCmethyl -1 *3 H 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cs 0 {2,S}, {4,S}, {5,S}, {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -H_OCpri -1 *3 H 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cs 0 {2,S}, {4,S}, {5,S}, {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 C 0 {3,S} - -H_OCsec -1 *3 H 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cs 0 {2,S}, {4,S}, {5,S}, {6,S} -4 H 0 {3,S} -5 C 0 {3,S} -6 C 0 {3,S} - -H_OCter -1 *3 H 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cs 0 {2,S}, {4,S}, {5,S}, {6,S} -4 C 0 {3,S} -5 C 0 {3,S} -6 C 0 {3,S} - -H_OCd -1 *3 H 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cd 0 {2,S} - -H_OCdpri -1 *3 H 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cd 0 {2,S}, {4,D}, {5,S} -4 Cd 0 {3,D} -5 H 0 {3,S} - -H_OCdsec -1 *3 H 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cd 0 {2,S}, {4,D}, {5,S} -4 Cd 0 {3,D} -5 C 0 {3,S} - -R_OH -1 *3 {Cs,Cd,Sis,Sid} 0 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 H 0 {2,S} - -Cs_OH -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Os 0 {1,S}, {6,S} -3 {Cs,H} 0 {1,S} -4 {Cs,H} 0 {1,S} -5 {Cs,H} 0 {1,S} -6 H 0 {2,S} - -CH3OH -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Os 0 {1,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} - -C_pri_OH -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Os 0 {1,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {1,S} -6 H 0 {2,S} - -C_sec_OH -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Os 0 {1,S}, {6,S} -3 H 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} -6 H 0 {2,S} - -C_ter_OH -1 *3 Cs 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *4 Os 0 {1,S}, {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} -6 H 0 {2,S} - - -Cd_OH -1 *3 Cd 0 {2,D}, {3,S}, {4,S} -2 Cd 0 {1,D} -3 *4 Os 0 {1,S}, {5,S} -4 R 0 {1,S} -5 H 0 {3,S} - -Cd_pri_OH -1 *3 Cd 0 {2,D}, {3,S}, {4,S} -2 Cd 0 {1,D} -3 *4 Os 0 {1,S}, {5,S} -4 H 0 {1,S} -5 H 0 {3,S} - -Cd_sec_OH -1 *3 Cd 0 {2,D}, {3,S}, {4,S} -2 Cd 0 {1,D} -3 *4 Os 0 {1,S}, {5,S} -4 {R!H} 0 {1,S} -5 H 0 {3,S} - - diff --git a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/rateLibrary.txt deleted file mode 100644 index 12d6ce6342..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/rateLibrary.txt +++ /dev/null @@ -1,26 +0,0 @@ -// rate library for f13: 1,3 insertion for ROR - - - -// JS, define key word for format of the rate: either Arrhenius or Arrhenius_EP - -Arrhenius_EP - - - -//f13_1,3_insertion_ROR - -// rate constants from rate_library_4.txt, Cath, 03/07/28 - -//No. doublebond R_OR Temp. A N a E0 DA Dn Da DE0 Rank -560. doublebond R_OR 300-1500 1E+02 3 0 45 0 0 0 0 0 -561. Cd/H2_Cd/Nd2 H_OCmethyl 300-1500 9.36E+01 2.85 0 41.9 0 0 0 0 2 -562. Cd/H2_Cd/H/Nd H_OCmethyl 300-1500 2.48E+01 2.93 0 43.9 0 0 0 0 2 -563. Cd/unsub_Cd/unsub H_OCmethyl 300-1500 4.73E+01 3.00 0 47.0 0 0 0 0 2 -564. cco_2H H_OH 300-1500 1.57E+02 3.04 0 39.4 0 0 0 0 2 -565. cco_HNd H_OH 300-1500 5.15E+01 3.05 0 41.0 0 0 0 0 2 -566. cco_Nd2 H_OH 300-1500 1.45E+03 2.80 0 40.8 0 0 0 0 2 -567. Cd/unsub_Cd/unsub H_OH 300-1500 1.47E+02 2.94 0 53.1 0 0 0 0 2 -568. Cd/H/Nd_Cd/H2 H_OH 300-1500 2.27E+02 2.74 0 56.9 0 0 0 0 2 -569. Cd/H2_Cd/H/Nd H_OH 300-1500 6.52E+01 2.92 0 50.7 0 0 0 0 2 -570. Cd/H2_Cd/Nd2 H_OH 300-1500 1.25E+03 2.76 0 48.5 0 0 0 0 2 diff --git a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/reactionAdjList.txt deleted file mode 100644 index af73650884..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/reactionAdjList.txt +++ /dev/null @@ -1,25 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 29, 2003 // -// // -////////////////////////////////////////////////////// - - -// f11 1,3_insertion_ROR - -doublebond + R_OR -> R_doublebond_OR - -forward -reverse(f14): 1,2_Elimination_ROR - -Actions 1 -(1) BREAK_BOND {*3,S,*4} -(2) CHANGE_BOND {*1,-1,*2} -(3) FORM_BOND {*1,S,*3} -(4) FORM_BOND {*2,S,*4} - - - - diff --git a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/tree.txt b/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/tree.txt deleted file mode 100644 index e965d7c0fb..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/1,3_Insertion_ROR/tree.txt +++ /dev/null @@ -1,87 +0,0 @@ -//Cat, I have split the 1,2 elimination reaction -//into elimination of CO2 and elimination of -//HOR - -L1: doublebond - L2: Cd_Cdd - L3: cco_2H - L3: cco_HNd - L3: cco_HDe - L3: cco_Nd2 - L3: cco_NdDe - L3: cco_De2 - - L2: Cdd_Cd - L3: Cdd_Cd_2H - L3: Cdd_Cd_HNd - L3: Cdd_Cd_HDe - L3: Cdd_Cd_Nd2 - L3: Cdd_Cd_NdDe - L3: Cdd_Cd_De2 - - L2: Cd_Cd - L3: Cd/unsub_Cd/unsub - L3: Cd/unsub_Cd/monosub - L4: Cd/H2_Cd/H/Nd - L4: Cd/H2_Cd/H/De - L3: Cd/monosub_Cd/unsub - L4: Cd/H/Nd_Cd/H2 - L4: Cd/H/De_Cd/H2 - L3: Cd/unsub_Cd/disub - L4: Cd/H2_Cd/Nd2 - L4: Cd/H2_Cd/Nd/De - L4: Cd/H2_Cd/De2 - L3: Cd/disub_Cd/unsub - L4: Cd/Nd2_Cd/H2 - L4: Cd/NdDe_Cd/H2 - L4: Cd/De2_Cd/H2 - L3: Cd/monosub_Cd/monosub - L4: Cd/H/Nd_Cd/H/Nd - L4: Cd/H/Nd_Cd/H/De - L4: Cd/H/De_Cd/H/Nd - L4: Cd/H/De_Cd/H/De - L3: Cd/monosub_Cd/disub - L4: Cd/H/Nd_Cd/Nd2 - L4: Cd/H/Nd_Cd/Nd/De - L4: Cd/H/Nd_Cd/De2 - L4: Cd/H/De_Cd/Nd2 - L4: Cd/H/De_Cd/Nd/De - L4: Cd/H/De_Cd/De2 - L3: Cd/disub_Cd/monosub - L4: Cd/Nd2_Cd/H/Nd - L4: Cd/Nd2_Cd/H/De - L4: Cd/De2_Cd/H/Nd - L4: Cd/De2_Cd/H/De - L4: Cd/Nd/De_Cd/H/Nd - L4: Cd/Nd/De_Cd/H/De - L3: Cd/disub_Cd/disub - L4: Cd/Nd2_Cd/Nd2 - L4: Cd/Nd2_Cd/Nd/De - L4: Cd/Nd2_Cd/De2 - L4: Cd/Nd/De_Cd/Nd2 - L4: Cd/Nd/De_Cd/Nd/De - L4: Cd/Nd/De_Cd/De2 - L4: Cd/De2_Cd/Nd2 - L4: Cd/De2_Cd/Nd/De - L4: Cd/De2_Cd/De2 -L1: R_OR - L2: H_OR - L3: H_OH - L3: H_OCs - L4: H_OCmethyl - L4: H_OCpri - L4: H_OCsec - L4: H_OCter - L3: H_OCd - L4: H_OCdpri - L4: H_OCdsec - L2: R_OH - L3: Cs_OH - L4: CH3OH - L4: C_pri_OH - L4: C_sec_OH - L4: C_ter_OH - L3: Cd_OH - L4: Cd_pri_OH - L4: Cd_sec_OH - diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/CVS/Entries deleted file mode 100644 index 56e7d6dada..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/CVS/Entries +++ /dev/null @@ -1,4 +0,0 @@ -/dictionary.txt/1.1/Mon Jun 1 19:01:21 2009// -/rateLibrary.txt/1.1/Mon Jun 1 19:01:21 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.1/Mon Jun 1 19:01:21 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/CVS/Repository deleted file mode 100644 index 4960f43016..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/2+2_cycloaddition_CCO diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/dictionary.txt deleted file mode 100644 index 89b86ce962..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/dictionary.txt +++ /dev/null @@ -1,145 +0,0 @@ -//f17_2cycloaddition to ketenyl bond - -CCO -1 *1 Cd 0 {2,D} -2 *2 Cdd 0 {1,D} {3,D} -3 Od 0 {2,D} - -CCO_2H -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 Od 0 {2,D} - -CCO_HNd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D} {5,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 Od 0 {2,D} - -CCO_HDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D} {5,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -CCO_Nd2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 Od 0 {2,D} - -CCO_NdDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -CCO_De2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D} {5,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -doublebond -Union {mb_CCO, mb_COC} - -mb_CCO -1 *3 Cd 0 {2,D} -2 *4 Cdd 0 {1,D} {3,D} -3 Od 0 {2,D} - -mb_CCO_2H -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_HNd -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D} {5,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_HDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D} {5,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_Nd2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D}, {5,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_NdDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D}, {5,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_De2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D} {5,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -mb_COC -1 *3 Cdd 0 {2,D} {3,D} -2 *4 Cd 0 {1,D} -3 Od 0 {1,D} - -mb_COC_2H -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 H 0 {2,S} -5 Od 0 {1,D} - -mb_COC_HNd -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cs,O} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_HDe -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_Nd2 -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cs,O} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_NdDe -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_De2 -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Od 0 {1,D} diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/rateLibrary.txt deleted file mode 100644 index 148340e727..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/rateLibrary.txt +++ /dev/null @@ -1,10 +0,0 @@ -// rate library for f17c: 2+2-cycloaddition_CCO - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -//f15c_2+2-cycloaddition_CCO -// from rate_library_4.txt, Cath, 03/07/28 - -//No. CCO doublebond Temp. A n a E0 DA Dn Da DE0 Rank -588. CCO doublebond 300-1500 6.92E+10 0 0 43.72 0 0 0 0 0 diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/reactionAdjList.txt deleted file mode 100644 index c1d837b05f..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/reactionAdjList.txt +++ /dev/null @@ -1,23 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 31, 2003 // -// // -////////////////////////////////////////////////////// - - -// f17c 2+2-cycloaddition_CCO - -CCO + doublebond -> four_ring - -forward -reverse(f18): Four_Ring_Cleavage_CCO - -Actions 1 -(1) CHANGE_BOND {*1,-1,*2} -(2) CHANGE_BOND {*3,-1,*4} -(3) FORM_BOND {*1,S,*3} -(4) FORM_BOND {*2,S,*4} - - diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/tree.txt b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/tree.txt deleted file mode 100644 index 1e2f6c6a47..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CCO/tree.txt +++ /dev/null @@ -1,27 +0,0 @@ -//f17_2cycloaddition to ketenyl bond - -L1: CCO - L2: CCO_2H - L2: CCO_HNd - L2: CCO_HDe - L2: CCO_Nd2 - L2: CCO_NdDe - L2: CCO_De2 - -L1: doublebond - L2: mb_CCO - L3: mb_CCO_2H - L3: mb_CCO_HNd - L3: mb_CCO_HDe - L3: mb_CCO_Nd2 - L3: mb_CCO_NdDe - L3: mb_CCO_De2 - L2: mb_COC - L3: mb_COC_2H - L3: mb_COC_HNd - L3: mb_COC_HDe - L3: mb_COC_Nd2 - L3: mb_COC_NdDe - L3: mb_COC_De2 - - diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/CVS/Entries deleted file mode 100644 index 56e7d6dada..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/CVS/Entries +++ /dev/null @@ -1,4 +0,0 @@ -/dictionary.txt/1.1/Mon Jun 1 19:01:21 2009// -/rateLibrary.txt/1.1/Mon Jun 1 19:01:21 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.1/Mon Jun 1 19:01:21 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/CVS/Repository deleted file mode 100644 index d4750bc7d8..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/2+2_cycloaddition_CO diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/dictionary.txt deleted file mode 100644 index dc3793fbc1..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/dictionary.txt +++ /dev/null @@ -1,218 +0,0 @@ -//f17_2cycloaddition to carbonyl bond - -CO -1 *1 CO 0 {2,D} -2 *2 Od 0 {1,D} - -CO_2H -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 Od 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - -CO_HNd -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 Od 0 {1,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} - -CO_HDe -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 Od 0 {1,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CO_Nd2 -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 Od 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -CO_NdDe -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 Od 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CO_De2 -1 *1 CO 0 {2,D} {3,S} {4,S} -2 *2 Od 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -doublebond -Union {mb_CO, mb_OC, mb_CCO, mb_COC} - -mb_CO -1 *3 CO 0 {2,D} -2 *4 Od 0 {1,D} - -mb_CO_2H -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - -mb_CO_HNd -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} - -mb_CO_HDe -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_CO_Nd2 -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -mb_CO_NdDe -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_CO_De2 -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_OC -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} - -mb_OC_2H -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 H 0 {2,S} - -mb_OC_HNd -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cs,O} 0 {2,S} - -mb_OC_HDe -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_OC_Nd2 -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cs,O} 0 {2,S} - -mb_OC_NdDe -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_OC_De2 -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_CCO -1 *3 Cd 0 {2,D} -2 *4 Cdd 0 {1,D} {3,D} -3 Od 0 {2,D} - -mb_CCO_2H -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_HNd -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D} {5,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_HDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D} {5,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_Nd2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D}, {5,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_NdDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D}, {5,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_De2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D} {5,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -mb_COC -1 *3 Cdd 0 {2,D} {3,D} -2 *4 Cd 0 {1,D} -3 Od 0 {1,D} - -mb_COC_2H -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 H 0 {2,S} -5 Od 0 {1,D} - -mb_COC_HNd -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cs,O} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_HDe -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_Nd2 -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cs,O} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_NdDe -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_De2 -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Od 0 {1,D} diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/rateLibrary.txt deleted file mode 100644 index e3f88067ec..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/rateLibrary.txt +++ /dev/null @@ -1,10 +0,0 @@ -// rate library for f17b: 2+2-cycloaddition_CO - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -//f15b_2+2-cycloaddition_CO -// from rate_library_4.txt, Cath, 03/07/28 - -//No. CO doublebond Temp. A n a E0 DA Dn Da DE0 Rank -587. CO doublebond 300-1500 6.92E+10 0 0 43.72 0 0 0 0 0 diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/reactionAdjList.txt deleted file mode 100644 index 4e32ff8bb5..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/reactionAdjList.txt +++ /dev/null @@ -1,23 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 31, 2003 // -// // -////////////////////////////////////////////////////// - - -// f17b 2+2-cycloaddition_CO - -CO + doublebond -> four_ring - -forward -reverse(f18): Four_Ring_Cleavage_CO - -Actions 1 -(1) CHANGE_BOND {*1,-1,*2} -(2) CHANGE_BOND {*3,-1,*4} -(3) FORM_BOND {*1,S,*3} -(4) FORM_BOND {*2,S,*4} - - diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/tree.txt b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/tree.txt deleted file mode 100644 index 1cd4a35c2a..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_CO/tree.txt +++ /dev/null @@ -1,41 +0,0 @@ -//f17_2cycloaddition to carbonyl bond - -L1: CO - L2: CO_2H - L2: CO_HNd - L2: CO_HDe - L2: CO_Nd2 - L2: CO_NdDe - L2: CO_De2 - -L1: doublebond - L2: mb_CO - L3: mb_CO_2H - L3: mb_CO_HNd - L3: mb_CO_HDe - L3: mb_CO_Nd2 - L3: mb_CO_NdDe - L3: mb_CO_De2 - L2: mb_OC - L3: mb_OC_2H - L3: mb_OC_HNd - L3: mb_OC_HDe - L3: mb_OC_Nd2 - L3: mb_OC_NdDe - L3: mb_OC_De2 - L2: mb_CCO - L3: mb_CCO_2H - L3: mb_CCO_HNd - L3: mb_CCO_HDe - L3: mb_CCO_Nd2 - L3: mb_CCO_NdDe - L3: mb_CCO_De2 - L2: mb_COC - L3: mb_COC_2H - L3: mb_COC_HNd - L3: mb_COC_HDe - L3: mb_COC_Nd2 - L3: mb_COC_NdDe - L3: mb_COC_De2 - - diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/CVS/Entries deleted file mode 100644 index d6cb306544..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/CVS/Entries +++ /dev/null @@ -1,4 +0,0 @@ -/dictionary.txt/1.2/Tue Jun 9 16:08:43 2009// -/rateLibrary.txt/1.1/Mon Jun 1 19:01:21 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.2/Fri Jun 5 14:42:08 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/CVS/Repository deleted file mode 100644 index 63560da82e..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/2+2_cycloaddition_Cd diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/dictionary.txt deleted file mode 100644 index 76c97a0048..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/dictionary.txt +++ /dev/null @@ -1,847 +0,0 @@ -// f17_2cycloaddition -// Jing remember about the combinations we talked about -// are available. - -db -Union {db_2H,db_HNd,db_HDe,db_Nd2,db_NdDe,db_De2} - -db_2H -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - -db_2H_2H -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -db_2H_monosub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -db_2H_HNd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -db_2H_HDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_2H_disub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -db_2H_Nd2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -db_2H_NdDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_2H_De2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_HNd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {R!H} 0 {2,S} - -db_HNd_monosub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -db_HNd_HNd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -db_HNd_HDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_HNd_disub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -db_HNd_Nd2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -db_HNd_NdDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_HNd_De2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_HDe -Union {db_HDe_HDe,db_HDe_disub} - -db_HDe_HDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_HDe_disub -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -db_HDe_Nd2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -db_HDe_NdDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_HDe_De2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_Nd2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -db_Nd2_Nd2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -db_Nd2_NdDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_Nd2_De2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_NdDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {R!H} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_NdDe_NdDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_NdDe_De2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -db_De2 -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond -Union {mb_db,mb_CO,mb_OC,mb_CCO,mb_COC} - -mb_db -1 *3 Cd 0 {2,D} -2 *4 Cd 0 {1,D} - -mb_db_2H -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - -mb_db_2H_2H -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -mb_db_2H_monosub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_2H_HNd -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_2H_HDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_2H_disub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_2H_Nd2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_2H_NdDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_2H_De2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_HNd -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} - -mb_db_HNd_2H -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -mb_db_HNd_monosub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_HNd_HNd -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_HNd_HDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_HNd_disub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_HNd_Nd2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_HNd_NdDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_HNd_De2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_HDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_db_HDe_2H -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -mb_db_HDe_monosub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_HDe_HNd -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_HDe_HDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_HDe_disub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_HDe_Nd2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_HDe_NdDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_HDe_De2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_Nd2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -mb_db_Nd2_2H -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -mb_db_Nd2_monosub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_Nd2_HNd -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_Nd2_HDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_Nd2_disub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_Nd2_Nd2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_Nd2_NdDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_Nd2_De2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_NdDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_db_NdDe_2H -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -mb_db_NdDe_monosub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_NdDe_HNd -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_NdDe_HDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_NdDe_disub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_NdDe_Nd2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_NdDe_NdDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_NdDe_De2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_De2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_db_De2_2H -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -mb_db_De2_monosub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_De2_HNd -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_De2_HDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_De2_disub -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -mb_db_De2_Nd2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -mb_db_De2_NdDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_db_De2_De2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cd 0 {1,D} {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_CO -1 *3 CO 0 {2,D} -2 *4 Od 0 {1,D} - -mb_CO_2H -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - -mb_CO_HNd -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} - -mb_CO_HDe -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_CO_Nd2 -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -mb_CO_NdDe -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_CO_De2 -1 *3 CO 0 {2,D} {3,S} {4,S} -2 *4 Od 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -mb_OC -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} - -mb_OC_2H -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 H 0 {2,S} - -mb_OC_HNd -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cs,O} 0 {2,S} - -mb_OC_HDe -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_OC_Nd2 -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cs,O} 0 {2,S} - -mb_OC_NdDe -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_OC_De2 -1 *3 Od 0 {2,D} -2 *4 CO 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -mb_CCO -1 *3 Cd 0 {2,D} -2 *4 Cdd 0 {1,D} {3,D} -3 Od 0 {2,D} - -mb_CCO_2H -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_HNd -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D} {5,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_HDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D} {5,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_Nd2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D}, {5,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_NdDe -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D}, {5,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -mb_CCO_De2 -1 *3 Cd 0 {2,D} {3,S} {4,S} -2 *4 Cdd 0 {1,D} {5,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -mb_COC -1 *3 Cdd 0 {2,D} {3,D} -2 *4 Cd 0 {1,D} -3 Od 0 {1,D} - -mb_COC_2H -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 H 0 {2,S} -5 Od 0 {1,D} - -mb_COC_HNd -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cs,O} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_HDe -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_Nd2 -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cs,O} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_NdDe -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Od 0 {1,D} - -mb_COC_De2 -1 *3 Cdd 0 {2,D} {5,D} -2 *4 Cd 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Od 0 {1,D} diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/rateLibrary.txt deleted file mode 100644 index 24f1d3f19b..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/rateLibrary.txt +++ /dev/null @@ -1,11 +0,0 @@ -// rate library for f17a: 2+2-cycloaddition_Cd - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -//f15a_2+2-cycloaddition_Cd -// from rate_library_4.txt, Cath, 03/07/28 - -//No. db doublebond Temp. A n a E0 DA Dn Da DE0 Rank -586. db doublebond 723-786 6.92E+10 0 0 43.72 0 0 0 0 3 -6000. db_2H mb_OC 300-1500 2.33E+06 1.65 0 54.15 *5.0 0 0 0 0 \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/reactionAdjList.txt deleted file mode 100644 index 9fe9750fef..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/reactionAdjList.txt +++ /dev/null @@ -1,23 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 31, 2003 // -// // -////////////////////////////////////////////////////// - - -// f17a 2+2-cycloaddition_Cd - -db + doublebond -> four_ring - -forward -reverse(f18): Four_Ring_Cleavage_Cd - -Actions 1 -(1) CHANGE_BOND {*1,-1,*2} -(2) CHANGE_BOND {*3,-1,*4} -(3) FORM_BOND {*1,S,*3} -(4) FORM_BOND {*2,S,*4} - - diff --git a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/tree.txt b/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/tree.txt deleted file mode 100644 index 0863758b9b..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/2+2_cycloaddition_Cd/tree.txt +++ /dev/null @@ -1,119 +0,0 @@ -// f17_2cycloaddition to form tetracyclic compd - -L1: db - L2: db_2H - L3: db_2H_2H - L3: db_2H_monosub - L4: db_2H_HNd - L4: db_2H_HDe - L3: db_2H_disub - L4: db_2H_Nd2 - L4: db_2H_NdDe - L4: db_2H_De2 - L2: db_HNd - L3: db_HNd_monosub - L4: db_HNd_HNd - L4: db_HNd_HDe - L3: db_HNd_disub - L4: db_HNd_Nd2 - L4: db_HNd_NdDe - L4: db_HNd_De2 - L2: db_HDe - L3: db_HDe_HDe - L3: db_HDe_disub - L4: db_HDe_Nd2 - L4: db_HDe_NdDe - L4: db_HDe_De2 - L2: db_Nd2 - L3: db_Nd2_Nd2 - L3: db_Nd2_NdDe - L3: db_Nd2_De2 - L2: db_NdDe - L3: db_NdDe_NdDe - L3: db_NdDe_De2 - L2: db_De2 - -L1: doublebond - L2: mb_db - L3: mb_db_2H - L4: mb_db_2H_2H - L4: mb_db_2H_monosub - L5: mb_db_2H_HNd - L5: mb_db_2H_HDe - L4: mb_db_2H_disub - L5: mb_db_2H_Nd2 - L5: mb_db_2H_NdDe - L5: mb_db_2H_De2 - L3: mb_db_HNd - L4: mb_db_HNd_2H - L4: mb_db_HNd_monosub - L5: mb_db_HNd_HNd - L5: mb_db_HNd_HDe - L4: mb_db_HNd_disub - L5: mb_db_HNd_Nd2 - L5: mb_db_HNd_NdDe - L5: mb_db_HNd_De2 - L3: mb_db_HDe - L4: mb_db_HDe_2H - L4: mb_db_HDe_monosub - L5: mb_db_HDe_HNd - L5: mb_db_HDe_HDe - L4: mb_db_HDe_disub - L5: mb_db_HDe_Nd2 - L5: mb_db_HDe_NdDe - L5: mb_db_HDe_De2 - L3: mb_db_Nd2 - L4: mb_db_Nd2_2H - L4: mb_db_Nd2_monosub - L5: mb_db_Nd2_HNd - L5: mb_db_Nd2_HDe - L4: mb_db_Nd2_disub - L5: mb_db_Nd2_Nd2 - L5: mb_db_Nd2_NdDe - L5: mb_db_Nd2_De2 - L3: mb_db_NdDe - L4: mb_db_NdDe_2H - L4: mb_db_NdDe_monosub - L5: mb_db_NdDe_HNd - L5: mb_db_NdDe_HDe - L4: mb_db_NdDe_disub - L5: mb_db_NdDe_Nd2 - L5: mb_db_NdDe_NdDe - L5: mb_db_NdDe_De2 - L3: mb_db_De2 - L4: mb_db_De2_2H - L4: mb_db_De2_monosub - L5: mb_db_De2_HNd - L5: mb_db_De2_HDe - L4: mb_db_De2_disub - L5: mb_db_De2_Nd2 - L5: mb_db_De2_NdDe - L5: mb_db_De2_De2 - L2: mb_CO - L3: mb_CO_2H - L3: mb_CO_HNd - L3: mb_CO_HDe - L3: mb_CO_Nd2 - L3: mb_CO_NdDe - L3: mb_CO_De2 - L2: mb_OC - L3: mb_OC_2H - L3: mb_OC_HNd - L3: mb_OC_HDe - L3: mb_OC_Nd2 - L3: mb_OC_NdDe - L3: mb_OC_De2 - L2: mb_CCO - L3: mb_CCO_2H - L3: mb_CCO_HNd - L3: mb_CCO_HDe - L3: mb_CCO_Nd2 - L3: mb_CCO_NdDe - L3: mb_CCO_De2 - L2: mb_COC - L3: mb_COC_2H - L3: mb_COC_HNd - L3: mb_COC_HDe - L3: mb_COC_Nd2 - L3: mb_COC_NdDe - L3: mb_COC_De2 \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/CVS/Entries deleted file mode 100644 index 7347b431db..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/CVS/Entries +++ /dev/null @@ -1,6 +0,0 @@ -/comments.txt/1.1/Wed Aug 5 18:25:54 2009// -/dictionary.txt/1.1/Mon Jun 1 19:01:21 2009// -/forbiddenGroups.txt/1.1/Mon Jun 1 19:01:21 2009// -/rateLibrary.txt/1.2/Wed Aug 5 18:37:45 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.2/Fri Jun 12 21:36:57 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/CVS/Repository deleted file mode 100644 index 372607046e..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/Birad_recombination diff --git a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/comments.txt b/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/comments.txt deleted file mode 100644 index f600ca4bb3..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/comments.txt +++ /dev/null @@ -1,15 +0,0 @@ -481: [185] Roth, W.R.; Scholz, B.P.; Breuckmann, R.; Jelich, K.; Lennartz, H-W. Chem. Ber. 1982, 115, 1934. - CH2=CHC(=CH2)C(=CH2)CH-CH2 --> cyclobutene, 1,2-diethenyl. - Data derived from fitting to a complex mechanism. Excitation: thermal, analysis: GC. Pressure 0.01-0.77 atm. - -482: [186] Benson, S.W. J. Chem. Phys. 1967, 46, 4920. - CH2=CHCH(.)CH2CH2CH(.)CH=CH2 --> 4-vinylcyclohexene. - Data are estimated. - -483: [187] Grimme, W.; Schumachers, L.; Roth, W.R.; Breuckmann, R. Chem. Ber. 1981, 114, 3197. - (E)-CH2=CHCH=CHCH=CH2 --> 1,3-cyclohexadiene. - Absolute value measured directly. Excitation: thermal, analysis: GC. - -484: [188] Lewis, K.E.; Steiner, H. J. Chem. Soc. 1964, 3080. - (Z)-CH2=CHCH=CHCH=CH2 --> 1,3-cyclohexadiene. - Absolute value measured directly. Excitation: thermal, analysis: Vis-UV. Pressure0.08-0.11 atm. \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/dictionary.txt deleted file mode 100644 index ec589f6596..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/dictionary.txt +++ /dev/null @@ -1,432 +0,0 @@ -//f07 : biradical recombination to form cyclic structure - -Rn -Union {R3, R4, R5, R6} - -R3 -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,{S,D}} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,{S,D}}, {3,{S,D}} -3 *2 {Cs,Cd,CO,Os,Ss} 1 {2,{S,D}} - -R3_SS -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 *2 {Cs,Cd,CO,Os,Ss} 1 {2,S} - -R3_SD -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 Cd 0 {1,S}, {3,D} -3 *2 Cd 1 {2,D} - -R4 -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,{S,D}} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,{S,D}}, {3,{S,D}} -3 *4 {Cs,Cd,CO,Os,Ss} 0 {2,{S,D}}, {4,{S,D}} -4 *2 {Cs,Cd,CO,Os,Ss} 1 {3,{S,D}} - -R4_SSS -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 *4 {Cs,Cd,CO,Os,Ss} 0 {2,S}, {4,S} -4 *2 {Cs,Cd,CO,Os,Ss} 1 {3,S} - -R4_SSD -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 *4 Cd 0 {2,S}, {4,D} -4 *2 Cd 1 {3,D} - -R4_SDS -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 Cd 0 {1,S}, {3,D} -3 *4 Cd 0 {2,D}, {4,S} -4 *2 {Cs,Cd,CO,Os,Ss} 1 {3,S} - -R4_DSD -1 *1 Cd 1 {2,D} -2 *3 Cd 0 {1,D}, {3,S} -3 *4 Cd 0 {2,S}, {4,D} -4 *2 Cd 1 {3,D} - -R5 -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,{S,D}} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,{S,D}}, {3,{S,D}} -3 {Cs,Cd,CO,Os,Ss} 0 {2,{S,D}}, {4,{S,D}} -4 *4 {Cs,Cd,CO,Os,Ss} 0 {3,{S,D}}, {5,{S,D}} -5 *2 {Cs,Cd,CO,Os,Ss} 1 {4,{S,D}} - -R5_SSSS -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 {Cs,Cd,CO,Os,Ss} 0 {2,S}, {4,S} -4 *4 {Cs,Cd,CO,Os,Ss} 0 {3,S}, {5,S} -5 *2 {Cs,Cd,CO,Os,Ss} 1 {4,S} - -R5_SSSD -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 {Cs,Cd,CO,Os,Ss} 0 {2,S}, {4,S} -4 *4 Cd 0 {3,S}, {5,D} -5 *2 Cd 1 {4,D} - -R5_SSDS -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 *4 Cd 0 {3,D}, {5,S} -5 *2 {Cs,Cd,CO,Os,Ss} 1 {4,S} - -R5_SDSD -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 *4 Cd 0 {3,S}, {5,D} -5 *2 Cd 1 {4,D} - -R5_DSSD -1 *1 Cd 1 {2,D} -2 *3 Cd 0 {1,D}, {3,S} -3 {Cs,Cd,CO,Os,Ss} 0 {2,S}, {4,S} -4 *4 Cd 0 {3,S}, {5,D} -5 *2 Cd 1 {4,D} - -R6 -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,{S,D}} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,{S,D}}, {3,{S,D}} -3 {Cs,Cd,CO,Os,Ss} 0 {2,{S,D}}, {4,{S,D}} -4 {Cs,Cd,CO,Os,Ss} 0 {3,{S,D}}, {5,{S,D}} -5 *4 {Cs,Cd,CO,Os,Ss} 0 {4,{S,D}}, {6,{S,D}} -6 *2 {Cs,Cd,CO,Os,Ss} 1 {5,{S,D}} - -R6_SSSSS -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 {Cs,Cd,CO,Os,Ss} 0 {2,S}, {4,S} -4 {Cs,Cd,CO,Os,Ss} 0 {3,S}, {5,S} -5 *4 {Cs,Cd,CO,Os,Ss} 0 {4,S}, {6,S} -6 *2 {Cs,Cd,CO,Os,Ss} 1 {5,S} - -R6_SSSSD -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 {Cs,Cd,CO,Os,Ss} 0 {2,S}, {4,S} -4 {Cs,Cd,CO,Os,Ss} 0 {3,S}, {5,S} -5 *4 Cd 0 {4,S}, {6,D} -6 *2 Cd 1 {5,D} - -R6_SSSDS -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 {Cs,Cd,CO,Os,Ss} 0 {2,S}, {4,S} -4 Cd 0 {3,S}, {5,D} -5 *4 Cd 0 {4,D}, {6,S} -6 *2 {Cs,Cd,CO,Os,Ss} 1 {5,S} - -R6_SSDSS -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 *4 {Cs,Cd,CO,Os,Ss} 0 {4,S}, {6,S} -6 *2 {Cs,Cd,CO,Os,Ss} 1 {5,S} - -R6_SSDSD -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 {Cs,Cd,CO,Os,Ss} 0 {1,S}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 *4 Cd 0 {4,S}, {6,D} -6 *2 Cd 1 {5,D} - -R6_SDSDS -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 Cd 0 {3,S}, {5,D} -5 *4 Cd 0 {4,D}, {6,S} -6 *2 {Cs,Cd,CO,Os,Ss} 1 {5,S} - -R6_SDSSD -1 *1 {Cs,Cd,CO,Os,Ss} 1 {2,S} -2 *3 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 {Cs,Cd,CO,Os,Ss} 0 {3,S}, {5,S} -5 *4 Cd 0 {4,S}, {6,D} -6 *2 Cd 1 {5,D} - -R6_DSSSD -1 *1 Cd 1 {2,D} -2 *3 Cd 0 {1,D}, {3,S} -3 {Cs,Cd,CO,Os,Ss} 0 {2,S}, {4,S} -4 {Cs,Cd,CO,Os,Ss} 0 {3,S}, {5,S} -5 *4 Cd 0 {4,S}, {6,D} -6 *2 Cd 1 {5,D} - -R6_DSDSD -1 *1 Cd 1 {2,D} -2 *3 Cd 0 {1,D}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 *4 Cd 0 {4,S}, {6,D} -6 *2 Cd 1 {5,D} - -Y_rad_out -1 *1 {R!H} 1 - -C_rad_out_single -1 *1 C 1 {2,S}, {3,S} -2 R 0 {1,S} -3 R 0 {1,S} - -C_rad_out_2H -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -C_rad_out_1H -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 {R!H} 0 {1,S} - -C_rad_out_H/NonDeC -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 Cs 0 {1,S} - -C_rad_out_H/NonDeO -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 O 0 {1,S} - -C_rad_out_H/NonDeS -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 S 0 {1,S} - -C_rad_out_H/OneDe -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -C_rad_out_noH -1 *1 C 1 {2,S}, {3,S} -2 {R!H} 0 {1,S} -3 {R!H} 0 {1,S} - -C_rad_out_NonDe -1 *1 C 1 {2,S}, {3,S} -2 {Cs,Os,Ss} 0 {1,S} -3 {Cs,Os,Ss} 0 {1,S} - -C_rad_out_Cs2 -1 *1 C 1 {2,S}, {3,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} - -C_rad_out_NDMustO -1 *1 C 1 {2,S}, {3,S} -2 Os 0 {1,S} -3 {Cs,Os} 0 {1,S} - -C_rad_out_NDMustS -1 *1 C 1 {2,S}, {3,S} -2 Ss 0 {1,S} -3 {Cs,Ss} 0 {1,S} - -C_rad_out_OneDe -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cs,Os,Ss} 0 {1,S} - -C_rad_out_OneDe/Cs -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} - -C_rad_out_OneDe/O -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 O 0 {1,S} - -C_rad_out_OneDe/S -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 S 0 {1,S} - -C_rad_out_TwoDe -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_rad_out -1 *1 C 1 {2,D} -2 {C,O} 0 {1,D} - -Cd_rad_out_C -1 *1 C 1 {2,D} -2 C 0 {1,D} - -Cd_rad_out_O -1 *1 C 1 {2,D} -2 O 0 {1,D} - -Cd_rad_out_S -1 *1 C 1 {2,D} -2 S 0 {1,D} - -Cdsingle_rad_out -1 *1 Cd 1 {2,S} -2 R 0 {1,S} - -CdsingleH_rad_out -1 *1 Cd 1 {2,S} -2 H 0 {1,S} - -CdsingleND_rad_out -1 *1 Cd 1 {2,S} -2 {Cs,Os,Ss} 0 {1,S} - -CdsingleDe_rad_out -1 *1 Cd 1 {2,S} -2 {Cd,Ct,Cb,Os,Ss} 0 {1,S} - -O_rad -1 *1 Os 1 - -S_rad -1 *1 Ss 1 - -Ypri_rad_out -1 *2 {R!H} 1 - -Cpri_rad_out_single -1 *2 C 1 {2,S}, {3,S} -2 R 0 {1,S} -3 R 0 {1,S} - -Cpri_rad_out_2H -1 *2 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -Cpri_rad_out_1H -1 *2 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 {R!H} 0 {1,S} - -Cpri_rad_out_H/NonDeC -1 *2 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 Cs 0 {1,S} - -Cpri_rad_out_H/NonDeO -1 *2 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 Os 0 {1,S} - -Cpri_rad_out_H/NonDeS -1 *2 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 Ss 0 {1,S} - -Cpri_rad_out_H/OneDe -1 *2 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Cpri_rad_out_noH -1 *2 C 1 {2,S}, {3,S} -2 {R!H} 0 {1,S} -3 {R!H} 0 {1,S} - -Cpri_rad_out_NonDe -1 *2 C 1 {2,S}, {3,S} -2 {Cs,Os,Ss} 0 {1,S} -3 {Cs,Os,Ss} 0 {1,S} - -Cpri_rad_out_Cs2 -1 *2 C 1 {2,S}, {3,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} - -Cpri_rad_out_NDMustO -1 *2 C 1 {2,S}, {3,S} -2 O 0 {1,S} -3 {Cs,Os} 0 {1,S} - -Cpri_rad_out_NDMustS -1 *2 C 1 {2,S}, {3,S} -2 S 0 {1,S} -3 {Cs,Ss} 0 {1,S} - -Cpri_rad_out_OneDe -1 *2 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cs,Os,Ss} 0 {1,S} - -Cpri_rad_out_OneDe/Cs -1 *2 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} - -Cpri_rad_out_OneDe/O -1 *2 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} - - -Cpri_rad_out_OneDe/S -1 *2 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} - -Cpri_rad_out_TwoDe -1 *2 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Cdpri_rad_out -1 *2 C 1 {2,D} -2 {C,O} 0 {1,D} - -Cdpri_rad_out_C -1 *2 C 1 {2,D} -2 C 0 {1,D} - -Cdpri_rad_out_O -1 *2 C 1 {2,D} -2 O 0 {1,D} - -Cdpri_rad_out_S -1 *2 C 1 {2,D} -2 S 0 {1,D} - -Cdsinglepri_rad_out -1 *2 Cd 1 {2,S} -2 R 0 {1,S} - -CdsinglepriH_rad_out -1 *2 Cd 1 {2,S} -2 H 0 {1,S} - -CdsinglepriND_rad_out -1 *2 Cd 1 {2,S} -2 {Cs,Os,Ss} 0 {1,S} - -CdsinglepriDe_rad_out -1 *2 Cd 1 {2,S} -2 {Cd,Ct,Cb,Os,Ss} 0 {1,S} - -Opri_rad -1 *2 Os 1 - -Spri_rad -1 *2 Ss 1 - - - - - - - - diff --git a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/forbiddenGroups.txt b/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/forbiddenGroups.txt deleted file mode 100644 index 81d98dfdae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/forbiddenGroups.txt +++ /dev/null @@ -1,11 +0,0 @@ -RR_s -1 *1 R!H 1 {2,S} -2 *2 R!H 1 {1,S} - -RR_d -1 *1 R!H 1 {2,D} -2 *2 R!H 1 {1,D} - -RR_t -1 *1 R!H 1 {2,T} -2 *2 R!H 1 {1,T} \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/rateLibrary.txt deleted file mode 100644 index 9cb8303b04..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/rateLibrary.txt +++ /dev/null @@ -1,24 +0,0 @@ -// rate library for f07: biradical recombination to form cycle - -// Catherina Wijaya Thesis, pg 157. - -// [185] Roth, W.R.; Scholz, B.P.; Breuckmann, R.; Jelich, K.; Lennartz, H-W. Chem. Ber. 1982, 115, 1934. -// [186] Benson, S.W. J. Chem. Phys. 1967, 46, 4920. -// [187] Grimme, W.; Schumachers, L.; Roth, W.R.; Breuckmann, R. Chem. Ber. 1981, 114, 3197. -// [188] Lewis, K.E.; Steiner, H. J. Chem. Soc. 1964, 3080. - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// f07_biradical_recombination_to_form_cycle -// from rate_library_4.txt, Cath, 03/07/28 - -//No. Rn Y_rad_out Ypri_rad_out Temp. A n a E0 DA Dn Da DE0 Rank Comments -480. Rn Y_rad_out Ypri_rad_out 300-1500 5E+11 0 0 30 0 0 0 0 0 Default -481. R4_SDS C_rad_out_2H Cpri_rad_out_2H 495-549 2.5E+11 0 0 35.77 *2.1 0 0 0.36 5 [185] Roth et al. -482. R6_SSSDS C_rad_out_H/OneDe Cpri_rad_out_2H 550-650 2.0E+12 0 0 1.80 0 0 0 0 4 [186] Benson et al. -483. R6_SDSDS C_rad_out_2H Cpri_rad_out_2H 555-606 2.77E+13 0 0 45.51 *1.2 0 0 0 3 [187] Grimme et al. -484. R6_SDSDS C_rad_out_2H Cpri_rad_out_2H 390-463 7.14E+11 0 0 29.01 *3.7 0 0 0.58 3 [188] Lewis et al. - -// Aäron Vandeputte S-S recombination, scission pre-exp equal to the one for S-S scission -485. R3_SS S_rad Spri_rad 300-1500 2.18E+16 0 0 0.7 0 0 0 0 1 A.G. Vandeputte diff --git a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/reactionAdjList.txt deleted file mode 100644 index 4633b49e0f..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/reactionAdjList.txt +++ /dev/null @@ -1,20 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 29, 2003 // -// // -////////////////////////////////////////////////////// - - -// f07 Biradical Recombination to form cycle -Rn -> Rncycle - -forward -reverse: Ring_Open - -Actions 1 -(1) FORM_BOND {*1,S,*2} -(2) LOSE_RADICAL {*1,1} -(3) LOSE_RADICAL {*2,1} - diff --git a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/tree.txt b/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/tree.txt deleted file mode 100644 index 426fe865c2..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination/tree.txt +++ /dev/null @@ -1,88 +0,0 @@ -//f07 : biradical recombination to form cyclic structure -//f07_biradical_recombination_to_form_cyclic_structure -// JS, correct typo, L3 : R6 into L2 : R6 -L1: Rn - L2: R3 - L3: R3_SS - L3: R3_SD - L2: R4 - L3: R4_SSS - L3: R4_SSD - L3: R4_SDS - L3: R4_DSD - L2: R5 - L3: R5_SSSS - L3: R5_SSSD - L3: R5_SSDS - L3: R5_SDSD - L3: R5_DSSD - L2: R6 - L3: R6_SSSSS - L3: R6_SSSSD - L3: R6_SSSDS - L3: R6_SSDSS - L3: R6_SSDSD - L3: R6_SDSDS - L3: R6_SDSSD - L3: R6_DSSSD - L3: R6_DSDSD -L1: Y_rad_out - L2: C_rad_out_single - L3: C_rad_out_2H - L3: C_rad_out_1H - L4: C_rad_out_H/NonDeC - L4: C_rad_out_H/NonDeO - L4: C_rad_out_H/NonDeS - L4: C_rad_out_H/OneDe - L3: C_rad_out_noH - L4: C_rad_out_NonDe - L5: C_rad_out_Cs2 - L5: C_rad_out_NDMustO - L5: C_rad_out_NDMustS - L4: C_rad_out_OneDe - L5: C_rad_out_OneDe/Cs - L5: C_rad_out_OneDe/O - L5: C_rad_out_OneDe/S - L4: C_rad_out_TwoDe - L2: Cd_rad_out - L3: Cd_rad_out_C - L3: Cd_rad_out_O - L3: Cd_rad_out_S - L2: Cdsingle_rad_out - L3: CdsingleH_rad_out - L3: CdsingleND_rad_out - L3: CdsingleDe_rad_out - L2: O_rad - L2: S_rad -L1: Ypri_rad_out - L2: Cpri_rad_out_single - L3: Cpri_rad_out_2H - L3: Cpri_rad_out_1H - L4: Cpri_rad_out_H/NonDeC - L4: Cpri_rad_out_H/NonDeO - L4: Cpri_rad_out_H/NonDeS - L4: Cpri_rad_out_H/OneDe - L3: Cpri_rad_out_noH - L4: Cpri_rad_out_NonDe - L5: Cpri_rad_out_Cs2 - L5: Cpri_rad_out_NDMustO - L5: Cpri_rad_out_NDMustS - L4: Cpri_rad_out_OneDe - L5: Cpri_rad_out_OneDe/Cs - L5: Cpri_rad_out_OneDe/O - L5: Cpri_rad_out_OneDe/S - L4: Cpri_rad_out_TwoDe - L2: Cdpri_rad_out - L3: Cdpri_rad_out_C - L3: Cdpri_rad_out_O - L3: Cdpri_rad_out_S - L2: Cdsinglepri_rad_out - L3: CdsinglepriH_rad_out - L3: CdsinglepriND_rad_out - L3: CdsinglepriDe_rad_out - L2: Opri_rad - L2: Spri_rad - - - - \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/CVS/Entries deleted file mode 100644 index 7347b431db..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/CVS/Entries +++ /dev/null @@ -1,6 +0,0 @@ -/comments.txt/1.1/Wed Aug 5 18:25:54 2009// -/dictionary.txt/1.1/Mon Jun 1 19:01:21 2009// -/forbiddenGroups.txt/1.1/Mon Jun 1 19:01:21 2009// -/rateLibrary.txt/1.2/Wed Aug 5 18:37:45 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.2/Fri Jun 12 21:36:57 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/CVS/Repository deleted file mode 100644 index 372607046e..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/Birad_recombination diff --git a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/comments.txt b/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/comments.txt deleted file mode 100644 index e69de29bb2..0000000000 diff --git a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/dictionary.txt deleted file mode 100644 index 0918b84db8..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/dictionary.txt +++ /dev/null @@ -1,5 +0,0 @@ -//f28 : adjacent radical recombination to form doube/triple bond - -Rad_Rad -1 *1 R 1 {2,{S,D}} -2 *2 R 1 {1,{S,D}} diff --git a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/rateLibrary.txt deleted file mode 100644 index 27febbac7c..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/rateLibrary.txt +++ /dev/null @@ -1,7 +0,0 @@ -// Added by Aäron Vandeputte -// estimated value - -Arrhenius_EP - -//No. R Temp. A n a E0 DA Dn Da DE0 Rank Comments -1. Rad_Rad 300-1500 1E+13 0 0 0 0 0 0 0 0 Default diff --git a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/reactionAdjList.txt deleted file mode 100644 index a124e77d25..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/reactionAdjList.txt +++ /dev/null @@ -1,22 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Aäron Vandeputte sept 2009 // -// // -////////////////////////////////////////////////////// - - -// f28 Biradical Recombination2 to form new bond -// Two adjacent radical centra combine to form a double/triple bond - -Rad_Rad -> RRbond - -forward -reverse(f28): Bondcleavage - -Actions 1 -(1) CHANGE_BOND {*1,1,*2} -(2) LOSE_RADICAL {*1,1} -(3) LOSE_RADICAL {*2,1} - diff --git a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/tree.txt b/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/tree.txt deleted file mode 100644 index 785a01d644..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Birad_recombination2/tree.txt +++ /dev/null @@ -1,5 +0,0 @@ -L1: Rad_Rad - - - - \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/CVS/Entries deleted file mode 100644 index 8c05d58feb..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/CVS/Entries +++ /dev/null @@ -1,5 +0,0 @@ -/comments.txt/1.1/Wed Aug 5 18:25:54 2009// -/dictionary.txt/1.2/Tue Jun 30 15:46:49 2009// -/rateLibrary.txt/1.2/Wed Aug 5 18:37:44 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.1/Mon Jun 1 19:01:21 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/CVS/Repository deleted file mode 100644 index d083f17275..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/Cyclic_Ether_Formation diff --git a/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/comments.txt b/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/comments.txt deleted file mode 100644 index e69de29bb2..0000000000 diff --git a/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/dictionary.txt deleted file mode 100644 index bfa40e6412..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/dictionary.txt +++ /dev/null @@ -1,320 +0,0 @@ -//C.D.W., S.R., J.S. (1/17/03) -//cyclic ether formation from QOOH -//QOOH --> QO + OH -// SR and JS, get rid of R3OOH_DD -// SR and JS, give more specific description of C at *1 and {R!H} in the middle to remove the ambiguity on Cdd -// JS, fix error in R5OOH, change from "5 {Cd,Cs,CO} 0 {4,S}, {6,S}" to "5 {Cd,Cs,CO} 0 {4,{S,D}}, {6,S}" - -RnOOH -Union {R2OOH, R3OOH, R4OOH, R5OOH} - - -R2OOH -1 *1 {Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,S} -3 *2 O 0 {2,S}, {4,S} -4 *3 O 0 {3,S}, {5,S} -5 H 0 {4,S} - -R2OOH_S -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 *2 O 0 {2,S}, {4,S} -4 *3 O 0 {3,S}, {5,S} -5 H 0 {4,S} - -R2OOH_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *2 O 0 {2,S}, {4,S} -4 *3 O 0 {3,S}, {5,S} -5 H 0 {4,S} - -R3OOH -1 *1 {Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,{S,D}} -3 {Cd,Cs,Sid,Sis} 0 {2,{S,D}}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6 H 0 {5,S} - -R3OOH_SS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {Cd,Cs} 0 {2,S}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6 H 0 {5,S} - -R3OOH_SD -1 *1 {Cd,Cs} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6 H 0 {5,S} - -R3OOH_DS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {Cd,Cs} 0 {2,S}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6 H 0 {5,S} - -R4OOH -1 *1 {Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,{S,D}} -3 {Cd,Cs,Sid,Sis} 0 {2,{S,D}}, {4,{S,D}} -4 {Cd,Cs,Sid,Sis} 0 {3,{S,D}}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_SSS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {Cd,Cs} 0 {2,S}, {4,S} -4 {Cd,Cs} 0 {3,S}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_SSD -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_SDS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 {Cd,Cs} 0 {3,S}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_DSS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {Cd,Cs} 0 {2,S}, {4,S} -4 {Cd,Cs} 0 {3,S}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_DSD -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R5OOH -1 *1 {Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,{S,D}} -3 {Cd,Cs,Sid,Sis} 0 {2,{S,D}}, {4,{S,D}} -4 {Cd,Cs,Sid,Sis} 0 {3,{S,D}}, {5,{S,D}} -5 {Cd,Cs,Sid,Sis} 0 {4,{S,D}}, {6,S} -6. *2 O 0 {5,S}, {7,S} -7. *3 O 0 {6,S}, {8,S} -8. H 0 {7,S} - -R5OOH_SSSS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {Cd,Cs} 0 {2,S}, {4,S} -4 {Cd,Cs} 0 {3,S}, {5,S} -5 {Cd,Cs} 0 {4,S}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 H 0 {7,S} - -R5OOH_SSSD -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {Cd,Cs} 0 {2,S}, {4,S} -4 Cd 0 {3,S}, {5,D} -5 Cd 0 {4,D}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 H 0 {7,S} - -R5OOH_SSDS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 {Cd,Cs} 0 {4,S}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 H 0 {7,S} - -R5OOH_SDSS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 {Cd,Cs} 0 {3,S}, {5,S} -5 {Cd,Cs} 0 {4,S}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 H 0 {7,S} - -R5OOH_DSSS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {Cd,Cs} 0 {2,S}, {4,S} -4 {Cd,Cs} 0 {3,S}, {5,S} -5 {Cd,Cs} 0 {4,S}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 H 0 {7,S} - -R5OOH_SDSD -1 *1 {Cd,Cs} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 Cd 0 {3,S}, {5,D} -5 Cd 0 {4,D}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 H 0 {7,S} - -R5OOH_DSDS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 Cd 0 {4,S}, {6,S} -6 *2 O 0 {5,S}, {7,S} -7 *3 O 0 {6,S}, {8,S} -8 H 0 {7,S} - -Y_rad_intra -1 *1 R 1 - -Cs_rad_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 *4 C 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -C_pri_rad_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 *4 C 0 {1,S} - -C_sec_rad_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 *4 C 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H/NonDeC_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 *4 C 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/NonDeO_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 *4 C 0 {1,S} -4 O 0 {1,S} - -C_rad/H/OneDe_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 *4 C 0 {1,S} - -C_ter_rad_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 *4 C 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/NonDeC_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 *4 C 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/Cs3_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 *4 C 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/NDMustO_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 *4 C 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/OneDe_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 *4 C 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/Cs2_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 *4 C 0 {1,S} -4 Cs 0 {1,S} - -C_rad/ODMustO_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 *4 C 0 {1,S} -4 O 0 {1,S} - -C_rad/TwoDe_intra -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 *4 C 0 {1,S} - -Cd_rad_in -1 *1 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 R 0 {1,S} - -Cd_pri_rad_in -1 *1 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 H 0 {1,S} - -Cd_sec_rad_in -1 *1 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 {R!H} 0 {1,S} - -Cd_rad_in/NonDeC -1 *1 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Cs 0 {1,S} - -Cd_rad_in/NonDeO -1 *1 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 O 0 {1,S} - -Cd_rad_in/OneDe -1 *1 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_rad_out -1 *1 C 1 {2,S}, {3,D} -2 *4 C 0 {1,S} -3 Cd 0 {1,D} - diff --git a/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/rateLibrary.txt deleted file mode 100644 index f11fa049ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/rateLibrary.txt +++ /dev/null @@ -1,26 +0,0 @@ -// rate library for f31: cyclic ether formation reaction -// original from rate_library_4.txt, Cath, 03/07/28 - -// Catherina Wijaya Thesis, pg 159. - - - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -//f31_intermolecular_HA -//No. RnOOH Y_rad_intra Temp. A n a E0 A Dn Da DE0 Rank Comments -812. RnOOH Y_rad_intra 300-1500 1E+11 0 0 10 0 0 0 0 0 -813. R2OOH_S C_pri_rad_intra 300-1500 3.98E+12 0 1.3 37.0 *1.20 0 0.3 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -814. R2OOH_S C_sec_rad_intra 300-1500 1.38E+12 0 1.3 37.0 *1.20 0 0.3 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -815. R2OOH_S C_ter_rad_intra 300-1500 3.09E+12 0 1.3 37.0 *1.20 0 0.3 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -816. R3OOH_SS C_pri_rad_intra 300-1500 4.47E+11 0 1.0 38.2 *1.74 0 0.1 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -817. R3OOH_SS C_sec_rad_intra 300-1500 2.04E+11 0 1.0 38.2 *1.74 0 0.1 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -818. R3OOH_SS C_ter_rad_intra 300-1500 3.31E+11 0 1.0 38.2 *1.74 0 0.1 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -819. R4OOH_SSS C_pri_rad_intra 300-1500 5.13E+10 0 0 14.8 *1.41 0 0 2.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -820. R4OOH_SSS C_sec_rad_intra 300-1500 3.63E+10 0 0 13.0 *1.41 0 0 2.5 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -821. R4OOH_SSS C_ter_rad_intra 300-1500 2.57E+10 0 0 11.5 *1.41 0 0 3.0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. -822. R2OOH_S Cs_rad_intra 300-1500 6.00E+11 0 0 22.000 0 0 0 0 5 Curran's [8] estimation in reaction type 19, QOOH = cyclic ether + OH -823. R3OOH_SS Cs_rad_intra 300-1500 7.50E+10 0 0 15.250 0 0 0 0 5 Curran's [8] estimation in reaction type 19, QOOH = cyclic ether + OH -824. R4OOH_SSS Cs_rad_intra 300-1500 9.38E+09 0 0 7.000 0 0 0 0 5 Curran's [8] estimation in reaction type 19, QOOH = cyclic ether + OH -825. R5OOH_SSSS Cs_rad_intra 300-1500 1.17E+09 0 0 1.800 0 0 0 0 5 Curran's [8] estimation in reaction type 19, QOOH = cyclic ether + OH diff --git a/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/reactionAdjList.txt deleted file mode 100644 index bb0d90b764..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/reactionAdjList.txt +++ /dev/null @@ -1,22 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Nov. 18, 2002 // -// // -////////////////////////////////////////////////////// - - -// f31 Cyclic Ether Formation - -RnOOH -> RO + OH - -forward -reverse(f32): OH+CyclicEther_Form_Alkyl-hydroperoxyl - -Actions 1 -(1) BREAK_BOND {*2,S,*3} -(2) FORM_BOND {*1,S,*2} -(3) GAIN_RADICAL {*3,1} -(4) LOSE_RADICAL {*1,1} - diff --git a/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/tree.txt b/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/tree.txt deleted file mode 100644 index 52e6a6db48..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Cyclic_Ether_Formation/tree.txt +++ /dev/null @@ -1,52 +0,0 @@ -//C.D.W., S.R., J.S. (1/17/03) -//cyclic ether formation from QOOH -//QOOH --> QO + OH - -//f31_cyclic_ether_form -L1: RnOOH - L2: R2OOH - L3: R2OOH_S - L3: R2OOH_D - L2: R3OOH - L3: R3OOH_SS - L3: R3OOH_SD - L3: R3OOH_DS - L2: R4OOH - L3: R4OOH_SSS - L3: R4OOH_SSD - L3: R4OOH_SDS - L3: R4OOH_DSS - L3: R4OOH_DSD - L2: R5OOH - L3: R5OOH_SSSS - L3: R5OOH_SSSD - L3: R5OOH_SSDS - L3: R5OOH_SDSS - L3: R5OOH_DSSS - L3: R5OOH_SDSD - L3: R5OOH_DSDS -L1: Y_rad_intra - L2: Cs_rad_intra - L3: C_pri_rad_intra - L3: C_sec_rad_intra - L4: C_rad/H/NonDeC_intra - L4: C_rad/H/NonDeO_intra - L4: C_rad/H/OneDe_intra - L3: C_ter_rad_intra - L4: C_rad/NonDeC_intra - L5: C_rad/Cs3_intra - L5: C_rad/NDMustO_intra - L4: C_rad/OneDe_intra - L5: C_rad/Cs2_intra - L5: C_rad/ODMustO_intra - L4: C_rad/TwoDe_intra - - L2: Cd_rad_in - L3: Cd_pri_rad_in - L3: Cd_sec_rad_in - L4: Cd_rad_in/NonDeC - L4: Cd_rad_in/NonDeO - L4: Cd_rad_in/OneDe - L2: Cd_rad_out - - diff --git a/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/CVS/Entries deleted file mode 100644 index 72176b5f41..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/CVS/Entries +++ /dev/null @@ -1,5 +0,0 @@ -/comments.txt/1.1/Wed Aug 5 18:25:54 2009// -/dictionary.txt/1.2/Fri Jun 5 14:42:08 2009// -/rateLibrary.txt/1.2/Wed Aug 5 18:37:44 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.1/Mon Jun 1 19:01:21 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/CVS/Repository deleted file mode 100644 index 5b97f1af8a..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/Diels_alder_addition diff --git a/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/comments.txt b/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/comments.txt deleted file mode 100644 index a43447ae39..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/comments.txt +++ /dev/null @@ -1,91 +0,0 @@ -590: [198] Huybrechts, G.; Luyckx, L.; Vandenboom, T.; Van Mele, B. Int. J. Chem. Kinet. 1977, 9, 283. - (E)-CH2=CHCH=CH2 + (E)-CH2=CHCH=CH2 --> 4-vinylcyclohexene - Absolute value measured directly using thermal excitation technique and GC. Pressure 0.06-0.59 atm. - -591: [198] Huybrechts, G.; Luyckx, L.; Vandenboom, T.; Van Mele, B. Int. J. Chem. Kinet. 1977, 9, 283. - (E)-CH2=CHCH=CH2 + (E)-CH2=CHCH=CH2 --> 4-vinylcyclohexene - Absolute value measured directly using thermal excitation technique and GC. Pressure 0.06-0.59 atm. - -592: [112] Kistiakowsky, G. B.; Lacher, J. R. J. Am. Chem. Soc. 1936, 58, 123. - (Z)-CH3CH=CHCHO + (E)-CH2=CHCH=CH2 --> 3-cyclohexene-1-carboxaldehyde,6-methyl - Absolute value measured directly. Excitation: thermal. Pressure 0.64-0.78 atm - -593: [112] Kistiakowsky, G. B.; Lacher, J. R. J. Am. Chem. Soc. 1936, 58, 123. - (Z)-CH3CH=CHCHO + (E)-CH2=CHCH=CH2 --> 3-cyclohexene-1-carboxaldehyde,6-methyl - Absolute value measured directly. Excitation: thermal. Pressure 0.64-0.78 atm - -594: [199] Simmie, J. M. Int. J. Chem. Kinet. 1978, 10, 227. - CH2=C(CH3)CH=CH2 + C2H4 --> 1-methyl-cyclohexane - Data derived from fitting to a complex mechanism. Excitation: thermal. Analysis: GC. Presure 2.50 atm - -595: [199] Simmie, J. M. Int. J. Chem. Kinet. 1978, 10, 227. - CH2=C(CH3)CH=CH2 + C2H4 --> 1-methyl-cyclohexane - Data derived from fitting to a complex mechanism. Excitation: thermal. Analysis: GC. Presure 2.50 atm - -596: [112] Kistiakowsky, G. B.; Lacher, J. R. J. Am. Chem. Soc. 1936, 58, 123. - CH2=CHCHO + CH2=C(CH3)CH=CH2 --> 3-cyclohexene-1-carboxaldehyde,4-methyl - Absolute value measured directly. Excitation: thermal. Pressure 0.64-0.78 atm - -597: [112] Kistiakowsky, G. B.; Lacher, J. R. J. Am. Chem. Soc. 1936, 58, 123. - CH2=CHCHO + CH2=C(CH3)CH=CH2 --> 3-cyclohexene-1-carboxaldehyde,4-methyl - Absolute value measured directly. Excitation: thermal. Pressure 0.64-0.78 atm - -598: [109] Huybrechts, G.; Rigaux, D.; Vankeerberghen, J.; Van Mele, B. Int. J. Chem. Kinet. 1980, 12, 253. - 1,3-cyclohexadiene + C2H4 --> bicyclo[2.2.2]oct-2-ene - Absolute value measured directly using thermal excitation technique and GC. Pressure 0.05-0.25 atm. - -599: [108] Huybrechts, G.; Poppelsdorf, H.; Maesschalck, L.; Van Mele, B. Int. J. Chem. Kinet. 1984, 16, 93. - 1,3-cyclohexadiene + CH3CH=CH2 --> bicyclo[2.2.2]oct-2-ene,5-METHYL-(1alpha, 4alpha, 5beta) - Absolute value measured directly using thermal excitation technique and GC. Pressure 0.07-0.82 atm. - -600: [108] Huybrechts, G.; Poppelsdorf, H.; Maesschalck, L.; Van Mele, B. Int. J. Chem. Kinet. 1984, 16, 93. - 1,3-cyclohexadiene + CH3CH=CH2 --> bicyclo[2.2.2]oct-2-ene,5-METHYL-(1alpha, 4alpha, 5alpha) - Absolute value measured directly using thermal excitation technique and GC. Pressure 0.07-0.82 atm. - -601: [108] Huybrechts, G.; Poppelsdorf, H.; Maesschalck, L.; Van Mele, B. Int. J. Chem. Kinet. 1984, 16, 93. - 1,3-cyclohexadiene + 1-C4H8 --> bicyclo[2.2.2]oct-2-ene,5-ETHYL-(1alpha, 4alpha, 5beta) - Absolute value measured directly using thermal excitation technique and GC. Pressure 0.07-0.82 atm. - -602: [108] Huybrechts, G.; Poppelsdorf, H.; Maesschalck, L.; Van Mele, B. Int. J. Chem. Kinet. 1984, 16, 93. - 1,3-cyclohexadiene + 1-C4H8 --> bicyclo[2.2.2]oct-2-ene,5-ETHYL-(1alpha, 4alpha, 5alpha) - Absolute value measured directly using thermal excitation technique and GC. Pressure 0.07-0.82 atm. - -603: [108] Huybrechts, G.; Poppelsdorf, H.; Maesschalck, L.; Van Mele, B. Int. J. Chem. Kinet. 1984, 16, 93. - 1,3-cyclohexadiene + (CH3)2CHCH=CH2 --> bicyclo[2.2.2]oct-2-ene,5-(1-METHYLETHYL)-(1alpha, 4alpha, 5beta) - Absolute value measured directly using thermal excitation technique and GC. Pressure 0.07-0.82 atm. - -604: [108] Huybrechts, G.; Poppelsdorf, H.; Maesschalck, L.; Van Mele, B. Int. J. Chem. Kinet. 1984, 16, 93. - 1,3-cyclohexadiene + (CH3)2CHCH=CH2 --> bicyclo[2.2.2]oct-2-ene,5-(1-METHYLETHYL)-(1alpha, 4alpha, 5alpha) - Absolute value measured directly using thermal excitation technique and GC. Pressure 0.07-0.82 atm. - -605: [108] Huybrechts, G.; Poppelsdorf, H.; Maesschalck, L.; Van Mele, B. Int. J. Chem. Kinet. 1984, 16, 93. - 1,3-cyclohexadiene + CH3CH=CH2 --> bicyclo[2.2.2]oct-2-ene,5-METHYL-(1alpha, 4alpha, 5beta) - Absolute value measured directly using thermal excitation technique and GC. Pressure 0.07-0.82 atm. - -606: [110] Van Mele, B.; Tybaert, C.; Huybrechts, G. Int. J. Chem. Kinet. 1987, 19, 1063. - 1,3-cyclohexadiene + CH2=CHCHO --> bicyclo[2.2.2]oct-2-ene,2-carboxaldehyde(1alpha, 2alpha, 4alpha) - Absolute value measured directly using thermal excitation technique and GC. Pressure 0.06-0.27 atm. - -607: [110] Van Mele, B.; Tybaert, C.; Huybrechts, G. Int. J. Chem. Kinet. 1987, 19, 1063. - 1,3-cyclohexadiene + CH2=CHCHO --> bicyclo[2.2.2]oct-2-ene,2-carboxaldehyde(1alpha, 2beta, 4alpha) - Absolute value measured directly using thermal excitation technique and GC. Pressure 0.06-0.27 atm. - -608: [111] Huybrechts, G.;Hubin, Y.; Narmon, M.; Van Mele, B. Int. J. Chem. Kinet. 1982, 14, 259. - 1,3-cyclohexadiene + (E)CH2=CHCH=CH2 --> bicyclo[2.2.2]oct-2-ene,5-ethenyl(1alpha, 4alpha, 5alpha) - Absolute value measured directly using thermal excitation technique and GC. Pressure 0.15-0.64 atm. - -609: [111] Huybrechts, G.;Hubin, Y.; Narmon, M.; Van Mele, B. Int. J. Chem. Kinet. 1982, 14, 259. - 1,3-cyclohexadiene + (E)CH2=CHCH=CH2 --> bicyclo[2.2.2]oct-2-ene,5-ethenyl(1alpha, 4alpha, 5beta) - Absolute value measured directly using thermal excitation technique and GC. Pressure 0.15-0.64 atm. - -610: [110] Van Mele, B.; Tybaert, C.; Huybrechts, G. Int. J. Chem. Kinet. 1987, 19, 1063. - 1,3-cyclohexadiene + CH2=CHCHO --> bicyclo[2.2.2]oct-2-ene,2-carboxaldehyde(1alpha, 2alpha, 4alpha) - Absolute value measured directly using thermal excitation technique and GC. Pressure 0.06-0.27 atm. - -611: [200] Benford, G. A.; Wassermann, A. J. Chem. Soc. 1939, 362. - Cyclopentadiene + cyclopentadiene --> Tricyclo[5.2.1.02,6]deca-c,8-diene. - Absolute value measured directly using thermal excitation technique and mass spectrometry. Pressure 0.20-0.97 atm. - -612: [200] Benford, G. A.; Wassermann, A. J. Chem. Soc. 1939, 362. - Cyclopentadiene + cyclopentadiene --> Tricyclo[5.2.1.02,6]deca-c,8-diene. - Absolute value measured directly using thermal excitation technique and mass spectrometry. Pressure 0.20-0.97 atm. \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/dictionary.txt deleted file mode 100644 index 633211b48d..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/dictionary.txt +++ /dev/null @@ -1,650 +0,0 @@ -//F19: diels-Alder reaction - -diene_out -Union {diene_unsub_unsub_out,diene_unsub_monosub_out,diene_unsub_disub_out,diene_monosub_monosub_out,diene_monosub_disub_out,diene_disub_disub_out} - -diene_unsub_unsub_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {4,S} -8 H 0 {4,S} - -diene_unsub_monosub_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {4,S} -8 {R!H} 0 {4,S} - -diene_unsub_monosubNd_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {4,S} -8 {Cs,O} 0 {4,S} - -diene_unsub_monosubDe_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {4,S} -8 {Cd,Ct,Cb,CO} 0 {4,S} - -diene_unsub_disub_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 {R!H} 0 {4,S} -8 {R!H} 0 {4,S} - -diene_unsub_disubNd2_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 {Cs,O} 0 {4,S} -8 {Cs,O} 0 {4,S} - -diene_unsub_disubNdDe_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 {Cs,O} 0 {4,S} -8 {Cd,Ct,Cb,CO} 0 {4,S} - -diene_unsub_disubDe2_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {4,S} -8 {Cd,Ct,Cb,CO} 0 {4,S} - -diene_monosub_monosub_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 {R!H} 0 {1,S} -7 {R!H} 0 {4,S} -8 H 0 {4,S} - -diene_monosubNd_monosubNd_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cs,O} 0 {4,S} -8 H 0 {4,S} - -diene_monosubNd_monosubDe_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {4,S} -8 H 0 {4,S} - -diene_monosubDe_monosubDe_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 {Cd,Ct,Cb,CO} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {4,S} -8 H 0 {4,S} - -diene_monosub_disub_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 {R!H} 0 {1,S} -7 {R!H} 0 {4,S} -8 {R!H} 0 {4,S} - -diene_monosubNd_disubNd2_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cs,O} 0 {4,S} -8 {Cs,O} 0 {4,S} - -diene_monosubNd_disubNdDe_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cs,O} 0 {4,S} -8 {Cd,Ct,Cb,CO} 0 {4,S} - -diene_monosubNd_disubDe2_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {4,S} -8 {Cd,Ct,Cb,CO} 0 {4,S} - -diene_monosubDe_disubNd2_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 {Cd,Ct,Cb,CO} 0 {1,S} -7 {Cs,O} 0 {4,S} -8 {Cs,O} 0 {4,S} - -diene_monosubDe_disubNdDe_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 {Cd,Ct,Cb,CO} 0 {1,S} -7 {Cs,O} 0 {4,S} -8 {Cd,Ct,Cb,CO} 0 {4,S} - -diene_monosubDe_disubDe2_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 H 0 {1,S} -6 {Cd,Ct,Cb,CO} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {4,S} -8 {Cd,Ct,Cb,CO} 0 {4,S} - -diene_disub_disub_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 {R!H} 0 {1,S} -6 {R!H} 0 {1,S} -7 {R!H} 0 {4,S} -8 {R!H} 0 {4,S} - -diene_disubNd2_disubNd2_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 {Cs,O} 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cs,O} 0 {4,S} -8 {Cs,O} 0 {4,S} - -diene_disubNd2_disubDe_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 {Cs,O} 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {R!H} 0 {4,S} -8 {Cd,Ct,Cb,CO} 0 {4,S} - -diene_disubDe_disubDe_out -1 *3 Cd 0 {2,D}, {5,S}, {6,S} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *6 Cd 0 {3,D}, {7,S}, {8,S} -5 {R!H} 0 {1,S} -6 {Cd,Ct,Cb,CO} 0 {1,S} -7 {R!H} 0 {4,S} -8 {Cd,Ct,Cb,CO} 0 {4,S} - -diene_in -1 *4 Cd 0 {2,S} -2 *5 Cd 0 {1,S} - -diene_in_2H -1 *4 Cd 0 {2,S} {3,S} -2 *5 Cd 0 {1,S} {4,S} -3 H 0 {1,S} -4 H 0 {2,S} - -diene_in_HNd -1 *4 Cd 0 {2,S} {3,S} -2 *5 Cd 0 {1,S} {4,S} -3 H 0 {1,S} -4 {Cs,O} 0 {2,S} - -diene_in_NdH -1 *4 Cd 0 {2,S} {3,S} -2 *5 Cd 0 {1,S} {4,S} -3 {Cs,O} 0 {1,S} -4 H 0 {2,S} - -diene_in_HDe -1 *4 Cd 0 {2,S} {3,S} -2 *5 Cd 0 {1,S} {4,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -diene_in_DeH -1 *4 Cd 0 {2,S} {3,S} -2 *5 Cd 0 {1,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {2,S} - -diene_in_Nd2 -1 *4 Cd 0 {2,S} {3,S} -2 *5 Cd 0 {1,S} {4,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {2,S} - -diene_in_NdDe -1 *4 Cd 0 {2,S} {3,S} -2 *5 Cd 0 {1,S} {4,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -diene_in_DeNd -1 *4 Cd 0 {2,S} {3,S} -2 *5 Cd 0 {1,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {2,S} - -diene_in_De2 -1 *4 Cd 0 {2,S} {3,S} -2 *5 Cd 0 {1,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -ene -1 *1 Cd 0 {2,D} -2 *2 Cd 0 {1,D} - -ene_unsub_unsub -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -ene_unsub_monosub -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -ene_2H_HNd -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_2H_HDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_monosub_unsub -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -ene_HNd_2H -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -ene_HDe_2H -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -ene_monosub_monosub -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -ene_HNd_HNd -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_HNd_HDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_HDe_HNd -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_HDe_HDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_unsub_disub -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -ene_2H_Nd2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_2H_NdDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_2H_De2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_disub_unsub -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -ene_Nd2_2H -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -ene_NdDe_2H -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -ene_De2_2H -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -ene_monosub_disub -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {R!H} 0 {1,S} -4 H 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -ene_HNd_Nd2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_HNd_NdDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_HNd_De2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_HDe_Nd2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_HDe_NdDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_HDe_De2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_disub_monosub -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 H 0 {2,S} -6 {R!H} 0 {2,S} - -ene_Nd2_HNd -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_Nd2_HDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_NdDe_HNd -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_NdDe_HDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_De2_HNd -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_De2_HDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_disub_disub -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} -5 {R!H} 0 {2,S} -6 {R!H} 0 {2,S} - -ene_Nd2_Nd2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_Nd2_NdDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_Nd2_De2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_NdDe_Nd2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_NdDe_NdDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_NdDe_De2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_De2_Nd2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cs,O} 0 {2,S} - -ene_De2_NdDe -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cs,O} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -ene_De2_De2 -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cd 0 {1,D}, {5,S}, {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - - diff --git a/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/rateLibrary.txt deleted file mode 100644 index 3c0a685913..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/rateLibrary.txt +++ /dev/null @@ -1,44 +0,0 @@ -// rate library for f19: diels-Alder reaction - -// Catherina Wijaya thesis, pg 132 - -// [108] Huybrechts, G.; Poppelsdorf, H.; Maesschalck, L.; Van Mele, B. Int. J. Chem. Kinet. 1984, 16, 93. -// [109] Huybrechts, G.; Rigaux, D.; Vankeerberghen, J.; Van Mele, B. Int. J. Chem. Kinet. 1980, 12, 253. -// [110] Van Mele, B.; Tybaert, C.; Huybrechts, G. Int. J. Chem. Kinet. 1987, 19, 1063. -// [111] Huybrechts, G.;Hubin, Y.; Narmon, M.; Van Mele, B. Int. J. Chem. Kinet. 1982, 14, 259. -// [112] Kistiakowsky, G. B.; Lacher, J. R. J. Am. Chem. Soc. 1936, 58, 123. -// [198] Huybrechts, G.; Luyckx, L.; Vandenboom, T.; Van Mele, B. Int. J. Chem. Kinet. 1977, 9, 283. -// [199] Simmie, J. M. Int. J. Chem. Kinet. 1978, 10, 227. -// [200] Benford, G. A.; Wassermann, A. J. Chem. Soc. 1939, 362. - -// JS, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// f19_diels_Alde -// rate constants from rate_library_4.txt, Cath, 03/07/28 - -//No. diene_out diene_in ene Temp. A N a E0 DA Dn Da DE0 Rank Comments -589. diene_out diene_in ene 300-1500 5E+09 0 0 0 0 0 0 0 0 "default" -590. diene_unsub_unsub_out diene_in_2H ene_2H_HDe 464-557 8.91E+09 0 0 24.44 0 0 0 0 3 Huybrechts et al. [198] -591. diene_unsub_unsub_out diene_in_2H ene_HDe_2H 464-557 8.91E+09 0 0 24.44 0 0 0 0 3 Huybrechts et al. [198] -592. diene_unsub_unsub_out diene_in_2H ene_HNd_HDe 515-572 8.99E+08 0 0 22.06 0 0 0 0 3 Kistiakowsky et al [112] -593. diene_unsub_unsub_out diene_in_2H ene_HDe_HNd 515-572 8.99E+08 0 0 22.06 0 0 0 0 3 Kistiakowsky et al [112] -594. diene_unsub_unsub_out diene_in_HNd ene_unsub_unsub 1000-1180 1.32E+11 0 0 29.61 0 0 0 0 4 Simmie [199] -595. diene_unsub_unsub_out diene_in_NdH ene_unsub_unsub 1000-1180 1.32E+11 0 0 29.61 0 0 0 0 4 Simmie [199] -596. diene_unsub_unsub_out diene_in_HNd ene_HDe_2H 492-606 1.02E+09 0 0 18.70 0 0 0 0 3 Kistiakowsky et al [112] -597. diene_unsub_unsub_out diene_in_NdH ene_2H_HDe 492-606 1.02E+09 0 0 18.70 0 0 0 0 3 Kistiakowsky et al [112] -598. diene_monosubNd_monosubNd_out diene_in_2H ene_unsub_unsub 450-592 4.57E+09 0 0 26.03 *1.05 0 0 0 3 Huybrechts et al. [109] -599. diene_monosubNd_monosubNd_out diene_in_2H ene_2H_HNd 488-606 1.12E+09 0 0 26.63 *1.12 0 0 0 3 Huybrechts et al. [108] -600. diene_monosubNd_monosubNd_out diene_in_2H ene_2H_HNd 488-606 2.09E+09 0 0 28.81 *1.12 0 0 0 3 Huybrechts et al. [108] -601. diene_monosubNd_monosubNd_out diene_in_2H ene_2H_HNd 488-606 7.08E+08 0 0 26.23 *1.12 0 0 0 3 Huybrechts et al. [108] -602. diene_monosubNd_monosubNd_out diene_in_2H ene_2H_HNd 488-606 1.17E+09 0 0 28.62 *1.12 0 0 0 3 Huybrechts et al. [108] -603. diene_monosubNd_monosubNd_out diene_in_2H ene_2H_HNd 488-600 3.72E+08 0 0 26.63 *1.07 0 0 0 3 Huybrechts et al. [108] -604. diene_monosubNd_monosubNd_out diene_in_2H ene_2H_HNd 486-600 2.95E+08 0 0 28.42 *1.1 0 0 0 3 Huybrechts et al. [108] -605. diene_monosubNd_monosubNd_out diene_in_2H ene_HNd_2H 488-606 1.12E+09 0 0 26.63 *1.12 0 0 0 3 Huybrechts et al. [108] -606. diene_monosubNd_monosubNd_out diene_in_2H ene_2H_HDe 379-581 1.02E+09 0 0 20.07 *1.07 0 0 0 3 Van Mele et al [110] -607. diene_monosubNd_monosubNd_out diene_in_2H ene_2H_HDe 379-581 6.03E+08 0 0 20.87 *1.07 0 0 0 3 Van Mele et al [110] -608. diene_monosubNd_monosubNd_out diene_in_2H ene_2H_HDe 437-526 1.15E+10 0 0 26.83 *1.05 0 0 0 3 Huybrechts et al. [111] -609. diene_monosubNd_monosubNd_out diene_in_2H ene_2H_HDe 437-526 3.8E+09 0 0 24.84 *1.05 0 0 0 3 Huybrechts et al. [111] -610. diene_monosubNd_monosubNd_out diene_in_2H ene_HDe_2H 379-581 1.02E+09 0 0 20.07 *1.07 0 0 0 3 Van Mele et al [110] -611. diene_monosubNd_monosubNd_out diene_in_2H ene_HNd_HDe 352-423 1.26E+9 0 0 16.69 0 0 0 0 3 Benford et al [200] -612. diene_monosubNd_monosubNd_out diene_in_2H ene_HDe_HNd 352-423 1.26E+9 0 0 16.69 0 0 0 0 3 Benford et al [200] \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/reactionAdjList.txt deleted file mode 100644 index 275be0222d..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/reactionAdjList.txt +++ /dev/null @@ -1,27 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 29, 2003 // -// // -////////////////////////////////////////////////////// - - -// f19 Diels-Alder reaction - -ene + diene_out -> Six_Ring - -forward -reverse(f20): Retro_Diels_Alder_Addition - -Actions 1 -(1) CHANGE_BOND {*1,-1,*2} -(2) CHANGE_BOND {*3,-1,*4} -(3) CHANGE_BOND {*4,1,*5} -(4) CHANGE_BOND {*5,-1,*6} -(5) FORM_BOND {*1,S,*3} -(6) FORM_BOND {*2,S,*6} - - - - diff --git a/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/tree.txt b/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/tree.txt deleted file mode 100644 index 595077f4d8..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Diels_alder_addition/tree.txt +++ /dev/null @@ -1,83 +0,0 @@ -//F19 Diels-alder reaction -L1: diene_out - L2: diene_unsub_unsub_out - L2: diene_unsub_monosub_out - L3: diene_unsub_monosubNd_out - L3: diene_unsub_monosubDe_out - L2: diene_unsub_disub_out - L3: diene_unsub_disubNd2_out - L3: diene_unsub_disubNdDe_out - L3: diene_unsub_disubDe2_out - L2: diene_monosub_monosub_out - L3: diene_monosubNd_monosubNd_out - L3: diene_monosubNd_monosubDe_out - L3: diene_monosubDe_monosubDe_out - L2: diene_monosub_disub_out - L3: diene_monosubNd_disubNd2_out - L3: diene_monosubNd_disubNdDe_out - L3: diene_monosubNd_disubDe2_out - L3: diene_monosubDe_disubNd2_out - L3: diene_monosubDe_disubNdDe_out - L3: diene_monosubDe_disubDe2_out - L2: diene_disub_disub_out - L3: diene_disubNd2_disubNd2_out - L3: diene_disubNd2_disubDe_out - L3: diene_disubDe_disubDe_out - -L1: diene_in - L2: diene_in_2H - L2: diene_in_HNd - L2: diene_in_HDe - L2: diene_in_NdH - L2: diene_in_DeH - L2: diene_in_Nd2 - L2: diene_in_NdDe - L2: diene_in_DeNd - L2: diene_in_De2 - -L1: ene - L2: ene_unsub_unsub - L2: ene_unsub_monosub - L3: ene_2H_HNd - L3: ene_2H_HDe - L2: ene_monosub_unsub - L3: ene_HNd_2H - L3: ene_HDe_2H - L2: ene_monosub_monosub - L3: ene_HNd_HNd - L3: ene_HNd_HDe - L3: ene_HDe_HNd - L3: ene_HDe_HDe - L2: ene_unsub_disub - L3: ene_2H_Nd2 - L3: ene_2H_NdDe - L3: ene_2H_De2 - L2: ene_disub_unsub - L3: ene_Nd2_2H - L3: ene_NdDe_2H - L3: ene_De2_2H - L2: ene_monosub_disub - L3: ene_HNd_Nd2 - L3: ene_HNd_NdDe - L3: ene_HNd_De2 - L3: ene_HDe_Nd2 - L3: ene_HDe_NdDe - L3: ene_HDe_De2 - L2: ene_disub_monosub - L3: ene_Nd2_HNd - L3: ene_Nd2_HDe - L3: ene_NdDe_HNd - L3: ene_NdDe_HDe - L3: ene_De2_HNd - L3: ene_De2_HDe - L2: ene_disub_disub - L3: ene_Nd2_Nd2 - L3: ene_Nd2_NdDe - L3: ene_Nd2_De2 - L3: ene_NdDe_Nd2 - L3: ene_NdDe_NdDe - L3: ene_NdDe_De2 - L3: ene_De2_Nd2 - L3: ene_De2_NdDe - L3: ene_De2_De2 - diff --git a/output/RMG_database_sulfur/kinetics_groups/Disproportionation/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/Disproportionation/CVS/Entries deleted file mode 100644 index e817576caf..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Disproportionation/CVS/Entries +++ /dev/null @@ -1,5 +0,0 @@ -/comments.txt/1.1/Wed Aug 5 18:25:54 2009// -/dictionary.txt/1.2/Fri Jun 5 14:42:08 2009// -/rateLibrary.txt/1.2/Wed Aug 5 18:37:45 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.1/Mon Jun 1 19:01:21 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/Disproportionation/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/Disproportionation/CVS/Repository deleted file mode 100644 index 4e7514f927..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Disproportionation/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/Disproportionation diff --git a/output/RMG_database_sulfur/kinetics_groups/Disproportionation/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/Disproportionation/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Disproportionation/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/Disproportionation/comments.txt b/output/RMG_database_sulfur/kinetics_groups/Disproportionation/comments.txt deleted file mode 100644 index e30e484183..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Disproportionation/comments.txt +++ /dev/null @@ -1,12 +0,0 @@ -536: [189] Grotheer, H.; Riekert, G.; Walter, D.; Just, T. Symp. Int. Combust. Proc. 1989, 22, 963. - Absolute value measured directly. Excitation: discharge, analysis: mass spectroscopy. Original uncertainty 3.0E+13 - O + CH2OC --> OH + CH2O, O + CH3CHOH --> OH + CH3CHO - -538: [190] Edelbuttel-Einhaus, J.; Hoyermann, K.; Rohde, G.; Seeba, J. Symp. Int. Combust. Proc. 1992, 22, 661. - Data derived from fitting to a complex mechanism. Excitation: discharge, analysis: mass spectroscopy. Original uncertainty 1.0E+13 - H + CH3CHOH --> H2 + CH3CHO - -540: [191] Pagsberg, P.; Munk, J.; Sillesen, A.; Anastasi, C. Chem. Phys. Lett. 1988, 146, 375. - Absolute value measured directly. Excitatio: electron beam, analysis: Vis-UV absorption. - CH2OH + CH3 --> CH2O + CH4 - \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/Disproportionation/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/Disproportionation/dictionary.txt deleted file mode 100644 index bf512bdd0e..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Disproportionation/dictionary.txt +++ /dev/null @@ -1,651 +0,0 @@ -// JS, remove O2d, it is considered in a new reaction family: Disproportionation_O2d -// JS, change y_1centerbirad definition, so that it wont have CO as child, Aug 22, 2003 - -Y_rad_birad -Union {Y_2centeradjbirad, Y_1centerbirad, Y_rad} - -Y_2centeradjbirad -1 *1 {Ct,Os,Ss} 1 {2,{S,T}} -2 {Ct,Os,Ss} 1 {1,{S,T}} - -C2b -1 *1 C 1 {2,T} -2 C 1 {1,T} - -Y_1centerbirad -1 *1 {Cs,Cd,O,S} 2T - -O_atom_triplet -1 *1 O 2T - -CH2_triplet -1 *1 C 2T {2,S}, {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -Y_rad -1 *1 R 1 - -H_rad -1 *1 H 1 - -Cs_rad -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -C_methyl -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C_pri_rad -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H2/Cs -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H2/Cd -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cd 0 {1,S} - -C_rad/H2/Ct -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Ct 0 {1,S} - -C_rad/H2/Cb -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cb 0 {1,S} - -C_rad/H2/CO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 CO 0 {1,S} - -C_rad/H2/O -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} - -C_sec_rad -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H/NonDeC -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 {Cs,O,S} 0 {1,S} - -C_rad/H/NonDeO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 O 0 {1,S} -4 {Cs,O,S} 0 {1,S} - -C_rad/H/CsO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 O 0 {1,S} - -C_rad/H/O2 -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 O 0 {1,S} -4 O 0 {1,S} - -C_rad/H/OneDe -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O,S} 0 {1,S} - -C_rad/H/OneDeC -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/OneDeO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} - -C_rad/H/TwoDe -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -C_ter_rad -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {R!H} 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/NonDeC -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cs,O,S} 0 {1,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} - -C_rad/Cs3 -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/NDMustO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 O 0 {1,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} - -C_rad/OneDe -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {1,S} - -C_rad/Cs2 -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/ODMustO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 O 0 {1,S} -4 {Cs,O,S} 0 {1,S} - -C_rad/TwoDe -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O,S} 0 {1,S} - -C_rad/Cs -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -C_rad/TDMustO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} - -C_rad/ThreeDe -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_rad -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -Cd_pri_rad -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -Cd_sec_rad -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {R!H} 0 {1,S} - -Cd_rad/NonDeC -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cs 0 {1,S} - -Cd_rad/NonDeO -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 O 0 {1,S} - -Cd_rad/OneDe -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Ct_rad -1 *1 C 1 {2,T} -2 C 0 {1,T} - -Cb_rad -1 *1 Cb 1 {2,B}, {3,B} -2 {Cb,Cbf} 0 {1,B} -3 {Cb,Cbf} 0 {1,B} - -CO_rad -1 *1 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 R 0 {1,S} - -CO_pri_rad -1 *1 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 H 0 {1,S} - -CO_sec_rad -1 *1 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {R!H} 0 {1,S} - -CO_rad/NonDe -1 *1 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cs,O,S} 0 {1,S} - -CO_rad/OneDe -1 *1 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -O_rad -1 *1 O 1 {2,S} -2 R 0 {1,S} - -O_pri_rad -1 *1 O 1 {2,S} -2 H 0 {1,S} - -O_sec_rad -1 *1 O 1 {2,S} -2 {R!H} 0 {1,S} - -O_rad/NonDeC -1 *1 O 1 {2,S} -2 Cs 0 {1,S} - -O_rad/NonDeO -1 *1 O 1 {2,S} -2 O 0 {1,S} - -O_rad/OneDe -1 *1 O 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -S_rad -1 *1 S 1 {2,S} -2 R 0 {1,S} - -S_pri_rad -1 *1 S 1 {2,S} -2 H 0 {1,S} - -S_sec_rad -1 *1 S 1 {2,S} -2 {R!H} 0 {1,S} - -S_rad/NonDeC -1 *1 S 1 {2,S} -2 Cs 0 {1,S} - -S_rad/NonDeS -1 *1 S 1 {2,S} -2 S 0 {1,S} - -S_rad/OneDe -1 *1 S 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -XH_Rrad -1. *2 {R!H} 0 {2,S}, {3,S} -2. *3 {R!H} 1 {1,S} -3. *4 H 0 {1,S} - -Cmethyl_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. H 0 {1,S} - -Cmethyl_Csrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. H 0 {1,S} - -Cmethyl_Cdrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. H 0 {1,S} - -Cmethyl_COrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. H 0 {1,S} - -Cmethyl_Orad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. H 0 {1,S} - -Cmethyl_Srad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 S 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. H 0 {1,S} - -Cpri_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {R!H} 0 {1,S} - -C/H2/Nd_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cs,O,S} 0 {1,S} - -C/H2/Nd_Csrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cs,O,S} 0 {1,S} - -C/H2/Nd_Cdrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cs,O,S} 0 {1,S} - -C/H2/Nd_COrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cs,O,S} 0 {1,S} - -C/H2/Nd_Orad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cs,O,S} 0 {1,S} - -C/H2/De_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H2/De_Csrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H2/De_Cdrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H2/De_COrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H2/De_Orad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -Csec_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} -4. {R!H} 0 {1,S} -5. {R!H} 0 {1,S} - -C/H/NdNd_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O,S} 0 {1,S} -5. {Cs,O,S} 0 {1,S} - -C/H/NdNd_Csrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O,S} 0 {1,S} -5. {Cs,O,S} 0 {1,S} - -C/H/NdNd_Cdrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O,S} 0 {1,S} -5. {Cs,O,S} 0 {1,S} - -C/H/NdNd_COrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O,S} 0 {1,S} -5. {Cs,O,S} 0 {1,S} - -C/H/NdNd_Orad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O,S} 0 {1,S} -5. {Cs,O,S} 0 {1,S} - -C/H/NdDe_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O,S} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/NdDe_Csrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O,S} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/NdDe_Cdrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O,S} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/NdDe_COrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O,S} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/NdDe_Orad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O,S} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/DeDe_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} -4. {Cd,Ct,Cb,CO} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/DeDe_Csrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} -4. {Cd,Ct,Cb,CO} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/DeDe_Cdrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} -4. {Cd,Ct,Cb,CO} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/DeDe_COrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} -4. {Cd,Ct,Cb,CO} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/DeDe_Orad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} -4. {Cd,Ct,Cb,CO} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -Cdpri_Rrad -1. *2 Cd 0 {2,S}, {3,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} - -Cdpri_Csrad -1. *2 Cd 0 {2,S}, {3,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} - -Cdpri_Cdrad -1. *2 Cd 0 {2,S}, {3,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} - -Cdpri_COrad -1. *2 Cd 0 {2,S}, {3,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} - -Cdpri_Orad -1. *2 Cd 0 {2,S}, {3,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} - -COpri_Rrad -1. *2 CO 0 {2,S}, {3,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} - -COpri_Csrad -1. *2 CO 0 {2,S}, {3,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} - -COpri_Cdrad -1. *2 CO 0 {2,S}, {3,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} - -COpri_COrad -1. *2 CO 0 {2,S}, {3,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} - -COpri_Orad -1. *2 CO 0 {2,S}, {3,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} - -O_Rrad -1. *2 O 0 {2,S}, {3,S} -2. *3 {Cs,Cd,CO,O,S} 1 {1,S} -3. *4 H 0 {1,S} - -O_Csrad -1. *2 O 0 {2,S}, {3,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} - -O_Cdrad -1. *2 O 0 {2,S}, {3,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} - -O_COrad -1. *2 O 0 {2,S}, {3,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} - -O_Orad -1. *2 O 0 {2,S}, {3,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} - -S_Rrad -1. *2 S 0 {2,S}, {3,S} -2. *3 {Cs,Cd,S} 1 {1,S} -3. *4 H 0 {1,S} - -S_Csrad -1. *2 S 0 {2,S}, {3,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} - -S_Cdrad -1. *2 S 0 {2,S}, {3,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} - -S_Srad -1. *2 S 0 {2,S}, {3,S} -2. *3 S 1 {1,S} -3. *4 H 0 {1,S} - - - - diff --git a/output/RMG_database_sulfur/kinetics_groups/Disproportionation/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/Disproportionation/rateLibrary.txt deleted file mode 100644 index 56c1bfae75..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Disproportionation/rateLibrary.txt +++ /dev/null @@ -1,97 +0,0 @@ -// rate library for f09a: Disproportionation reaction -// original from rate_library_4.txt, Cath, 03/07/28 - -// Catherina Wijaya thesis, pg 157 - -// [90] Tsang, W. J. Phys. Chem. Ref. Data 1987, 16, 471. -// [91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. -// [92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. -// [93] Tsang, W. J. Phys. Chem. Ref. Data 1991, 20, 221. -// [95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; -// Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. -// [189] Grotheer, H.; Riekert, G.; Walter, D.; Just, T. Symp. Int. Combust. Proc. 1989, 22, 963. -// [190] Edelbuttel-Einhaus, J.; Hoyermann, K.; Rohde, G.; Seeba, J. Symp. Int. Combust. Proc. 1992, 22, 661. -// [191] Pagsberg, P.; Munk, J.; Sillesen, A.; Anastasi, C. Chem. Phys. Lett. 1988, 146, 375. - - -// JS, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// f09a_Disproportionation -// changing root number into 3e11, 0, 0 according to Wing Tsang . J. Phys. Chem. Ref. Data 1991, 20, 221-273, JS, july 27, 2003 -// add 10001 to give HO2. + R. -> O2 + HR, JS, july 27, 2003 - -// JS, Aug, 5, 2003 -// move the following rate constants of O2 + XH_Rrad into the new reaction family: Disproportionation_O2d -// move #: 487, 501, 513, 514, 533, 534, 535 - -//No. Y_rad_birad XH_Rrad Temp. A n a E0 DA Dn Da DE0 Rank Comments -485. Y_rad_birad XH_Rrad 300-1500 3E+11 0 0 0 0 0 0 0 0 Default -486. O_sec_rad O_Orad 300-1500 1.75E+10 0 0 -3.275 0 0 0 0 5 [8] Curran's estimation in reaction type 13, RO2 + HO2 --> RO2H + O2 -488. CH2_triplet Cmethyl_Csrad 300-2500 3.01E+13 0 0 0 *2.0 0 0 0 4 Tsang [91] Literature review. CH2 + iso-C3H7 --> CH3CH=CH2 + CH3 -489. H_rad Cmethyl_Csrad 300-2500 3.61E+12 0 0 0 *2.0 0 0 0 4 Tsang [91] Literature review. H + iso-C3H7 --> CH3CH=CH2 + H2 -490. H_rad Cmethyl_Csrad 300-2500 1.81E+12 0 0 0 *3.0 0 0 0 4 Tsang [91] Literature review. H + C2H5 --> H2 + C2H4 -491. C_methyl Cmethyl_Csrad 300-2500 9.41E+10 0.68 0 0 *1.5 0 0 0 4 Tsang [91] Literature review. CH3 + iso-C3H7 --> CH3CH=CH2 + CH4 -492. C_rad/H2/Cs Cmethyl_Csrad 300-2500 2.3E+13 -0.35 0 0 *1.8 0 0 0 4 Tsang [91] Literature review. C2H5 + iso-C3H7 --> CH3CH=CH2 + C2H6 -493. C_rad/H2/Cd Cmethyl_Csrad 300-2500 2.29E+13 -0.35 0 -0.13 *3.0 0 0 0 4 Tsang [91] Literature review. CH3CH=CH2 + iso-C3H7 --> CH3CH=CH2 + CH3CH=CH2 -494. C_rad/H2/O Cmethyl_Csrad 300-2500 2.89E+12 0 0 0 *5.0 0 0 0 4 Tsang [91] Literature review. CH2O + iso-C3H7 --> CH3CH=CH2 + CH3OH -495. C_rad/H/NonDeC Cmethyl_Csrad 300-2500 2.11E+14 -0.70 0 0 *2.0 0 0 0 4 Tsang [91] Literature review. iso-C3H7 + iso-C3H7 --> CH3CH=CH2 + C3H8 -496. C_rad/Cs3 Cmethyl_Csrad 300-2500 2.86E+15 -1.10 0 0 *1.7 0 0 0 4 Tsang [91] Literature review. Tert-C4H9 + iso-C3H7 --> CH3CH=CH2 + iso-C4H10 -497. Cd_pri_rad Cmethyl_Csrad 300-2500 1.52E+14 -0.70 0 0 *2.0 0 0 0 4 Tsang [91] Literature review. C2H3 + iso-C3H7 --> CH3CH=CH2 + C2H4 -498. Ct_rad Cmethyl_Csrad 300-2500 3.61E+12 0 0 0 *2.0 0 0 0 4 Tsang [91] Literature review. C2H + iso-C3H7 --> CH3CH=CH2 + C2H2 -499. O_pri_rad Cmethyl_Csrad 300-2500 2.41E+13 0 0 0 *3.0 0 0 0 4 Tsang [91] Literature review. OH + iso-C3H7 --> CH3CH=CH2 + H2O -500. H_rad Cmethyl_Orad 300-1000 1.81E+13 0 0 0 *3.16 0 0 0 4 Baulch et al [95] literature review. -502. CH2_triplet C/H2/Nd_Csrad 300-2500 1.81E+12 0 0 0 *3.0 0 0 0 4 Tsang [91] Literature review. CH2 + n-C3H7 --> CH3 + CH3CH=CH2 -503. H_rad C/H2/Nd_Csrad 300-2500 1.81E+12 0 0 0 *2.0 0 0 0 4 Tsang [91] Literature review. H + n-C3H7 --> H2 + CH3CH=CH2 -504. C_methyl C/H2/Nd_Csrad 300-2500 1.15E+13 -0.32 0 0 *1.7 0 0 0 4 Tsang [91] Literature review. CH3 + n-C3H7 --> CH4 + CH3CH=CH2 -505. C_rad/H2/Cs C/H2/Nd_Csrad 300-2500 1.45E+12 0 0 0 *1.4 0 0 0 4 Tsang [91] Literature review. C2H5 + n-C2H6 --> CH3 + CH3CH=CH2 -506. C_rad/H2/Cd C/H2/Nd_Csrad 300-2500 1.45E+12 0 0 -0.13 *3.0 0 0 0 4 Tsang [91] Literature review. CH2CH=CH2 + n-C3H7 --> CH3CH=CH2 + CH3CH=CH2 -507. C_rad/H2/O C/H2/Nd_Csrad 300-2500 4.82E+11 0 0 0 *3.0 0 0 0 4 Tsang [91] Literature review. CH2OH + n-C3H7 --> CH3OH + CH3CH=CH2 -508. C_rad/H/NonDeC C/H2/Nd_Csrad 300-2500 5.13E+13 -0.35 0 0 *2.0 0 0 0 4 Tsang [91] Literature review. iso-C3H7 + n-C3H7 --> C3H8 + CH3CH=CH2 -509. C_rad/Cs3 C/H2/Nd_Csrad 300-2500 2.16E+14 -0.75 0 0 *2.0 0 0 0 4 Tsang [91] Literature review. tert-C4H9 + n-C3H7 --> iso-C4H10 + CH3CH=CH2 -510. Cd_pri_rad C/H2/Nd_Csrad 300-2500 1.21E+12 0 0 0 *3.0 0 0 0 4 Tsang [91] Literature review. C2H3 + n-C3H7 --> C2H4 + CH3CH=CH2 -511. Ct_rad C/H2/Nd_Csrad 300-2500 6.03E+12 0 0 0 *3.0 0 0 0 4 Tsang [91] Literature review. C2H + n-C3H7 --> C2H2 + CH3CH=CH2 -512. O_pri_rad C/H2/Nd_Csrad 300-2500 2.41E+13 0 0 0 *3.0 0 0 0 4 Tsang [91] Literature review. OH + n-C3H7 --> H2O + CH3CH=CH2 -514. CH2_triplet C/H/NdNd_Csrad 300-2500 6.03E+12 0 0 0 *3.0 0 0 0 4 Tsang [92] Literature review. C2H + iso-C4H9--> C2H2 + iso-C4H8 -515. H_rad C/H/NdNd_Csrad 300-2500 9.04E+11 0 0 0 *2.0 0 0 0 4 Tsang [92] Literature review. H + iso-C4H9--> H2 + iso-C4H8 -516. C_methyl C/H/NdNd_Csrad 300-2500 6.02E+12 -0.32 0 0 *2.0 0 0 0 4 Tsang [92] Literature review. CH3 + iso-C4H9--> CH4 + iso-C4H8 -517. C_rad/H2/Cs C/H/NdNd_Csrad 300-2500 8.43E+11 0 0 0 *2.0 0 0 0 4 Tsang [92] Literature review. C2H5 + iso-C4H9--> C2H6 + iso-C4H8 -518. C_rad/H2/O C/H/NdNd_Csrad 300-2500 4.82E+11 0 0 0 *3.0 0 0 0 4 Tsang [92] Literature review. CH2OH + iso-C4H9--> CH3OH + iso-C4H8 -519. C_rad/H2/Cd C/H/NdNd_Csrad 300-2500 7.83E+11 0 0 -0.13 *2.0 0 0 0 4 Tsang [92] Literature review. -520. C_rad/H/NonDeC C/H/NdNd_Csrad 300-2500 2.56E+13 -0.35 0 0 *2.0 0 0 0 4 Tsang [92] Literature review. iso-C3H7 + iso-C4H9--> C2H2 + iso-C4H8 -521. C_rad/Cs3 C/H/NdNd_Csrad 300-2500 2.16E+14 -0.75 0 0 0 0 0 0 4 Tsang [92] Literature review. -522. Cd_pri_rad C/H/NdNd_Csrad 300-2500 8.43E+11 0 0 0 *5.0 0 0 0 4 Tsang [92] Literature review. C2H3 + iso-C4H9--> C2H4 + iso-C4H8 -523. O_pri_rad C/H/NdNd_Csrad 300-2500 1.21E+13 0 0 0 *3.0 0 0 0 4 Tsang [92] Literature review. OH + iso-C4H9--> H2O + iso-C4H8 -525. H_rad Cdpri_Csrad 300-2500 1.81E+13 0 0 0 *3.0 0 0 0 4 Tsang [93] Literature review. H + CH2CH=CH2 --> H2 + CH2=C=CH2 -526. C_methyl Cdpri_Csrad 300-2500 3.01E+12 -0.32 0 -0.13 *3.0 0 0 0 4 Tsang [93] Literature review. CH3 + CH2CH=CH2 --> CH4 + CH2=C=CH2 -527. C_rad/H2/Cs Cdpri_Csrad 300-2500 9.64E+11 0 0 -0.13 *2.0 0 0 0 4 Tsang [93] Literature review. C2H5 + CH2CH=CH2 --> C2H6 + CH2=C=CH2 -528. C_rad/H2/Cd Cdpri_Csrad 300-2500 8.43E+10 0 0 -0.26 *2.5 0 0 0 4 Tsang [93] Literature review. CH2CH=CH2 + CH2CH=CH2 --> CH3CH=CH2 + CH2=C=CH2 -529. C_rad/H/NonDeC Cdpri_Csrad 300-2500 4.58E+12 -0.35 0 -0.13 *3.0 0 0 0 4 Tsang [93] Literature review. iso-C3H7 + CH2CH=CH2 --> C3H8 + CH2=C=CH2 -530. C_rad/Cs3 Cdpri_Csrad 300-2500 2.89E+13 -0.75 0 -0.13 *3.0 0 0 0 4 Tsang [93] Literature review. Tert-C4H9 + CH2CH=CH2 --> iso-C4H10 + CH2=C=CH2 -531. Cd_pri_rad Cdpri_Csrad 300-2500 2.41E+12 0 0 0 *3.0 0 0 0 4 Tsang [93] Literature review. C2H3 + CH2CH=CH2 --> C2H4 + CH2=C=CH2 -532. O_pri_rad Cdpri_Csrad 300-2500 6.03E+12 0 0 0 *3.0 0 0 0 4 Tsang [93] Literature review. OH + CH2CH=CH2 --> H2O + CH2=C=CH2 -536. O_atom_triplet O_Csrad 298 9.04E+13 0 0 0 *1.5 0 0 0 3 Grotheer et al [189]. -537. CH2_triplet O_Csrad 300-2500 1.21E+12 0 0 0 *3.0 0 0 0 4 Tsang [90] Literature review. -538. H_rad O_Csrad 295 2.0E+13 0 0 0 *2.0 0 0 0 4 Edelbuttel-Einhaus et al [190]. -539. H_rad O_Csrad 300-2500 6.03E+12 0 0 0 *2.0 0 0 0 4 Tsang [90] Literature review. -540. C_methyl O_Csrad 298 8.49E+13 0 0 0 0 0 0 0 3 Pagsberg et al [191]. -541. C_methyl O_Csrad 300-2500 2.41E+12 0 0 0 *5.0 0 0 0 4 Tsang [90] Literature review. CH3 + CH20H --> CH4 + CH2O -542. C_rad/H2/Cs O_Csrad 300-2500 2.41E+12 0 0 0 *5.0 0 0 0 4 Tsang [90] Literature review. C2H5 + CH20H --> C2H6 + CH2O -543. C_rad/H2/Cd O_Csrad 300-2500 1.81E+13 0 0 0 *2.5 0 0 0 4 Tsang [90] Literature review. CH2CH=CH2 + CH20H --> CH3CH=CH2 + CH2O -544. C_rad/H2/O O_Csrad 300-2500 4.82E+12 0 0 0 *2.0 0 0 0 4 Tsang [90] Literature review. CH2OH + CH20H --> CH3OH + CH2O -545. C_rad/H/NonDeC O_Csrad 300-2500 2.35E+12 0 0 0 *5.0 0 0 0 4 Tsang [90] Literature review. iso-C3H7 + CH20H --> C3H8 + CH2O -546. C_rad/Cs3 O_Csrad 300-2500 6.91E+14 -0.75 0 0 *2.0 0 0 0 4 Tsang [90] Literature review. tert-C4H9 + CH20H --> iso-C4H10 + CH2O -547. Cd_pri_rad O_Csrad 300-2500 3.01E+13 0 0 0 *2.5 0 0 0 4 Tsang [90] Literature review. C2H3 + CH20H --> C2H4 + CH2O -548. Ct_rad O_Csrad 300-2500 3.61E+13 0 0 0 *5.0 0 0 0 4 Tsang [90] Literature review. C2H + CH20H --> C2H2 + CH2O -549. CO_pri_rad O_Csrad 300-2500 1.81E+14 0 0 0 *3.0 0 0 0 4 Tsang [90] Literature review. HCO + CH20H --> C2H2 + CH2O -550. O_pri_rad O_Csrad 300-2500 2.41E+13 0 0 0 *2.0 0 0 0 4 Tsang [90] Literature review. OH + CH20H --> CH2O + CH2O -551. O_rad/NonDeC O_Csrad 300-2500 2.41E+13 0 0 0 *2.0 0 0 0 4 Tsang [90] Literature review. CH3O + CH20H --> CH3OH + CH2O -552. O_rad/NonDeO O_Csrad 300-2500 1.21E+13 0 0 0 *2.0 0 0 0 4 Tsang [90] Literature review. H2O + CH20H --> H2O2 + CH2O -10001 Y_rad O_Orad 300-1500 3E+11 0 0 0 0 0 0 0 0 - -// Aäron Vandeputte S disproportionation - -// [A] Tycholiz, D.R.; Knight, A.R.; J. Am. Chem. Soc. 95 1973 -553. S_rad/NonDeC Cmethyl_Srad 298 9.79E11 0 0 0 0 0 0 0 4 [A] - - diff --git a/output/RMG_database_sulfur/kinetics_groups/Disproportionation/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/Disproportionation/reactionAdjList.txt deleted file mode 100644 index 066570d13d..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Disproportionation/reactionAdjList.txt +++ /dev/null @@ -1,24 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 29, 2003 // -// // -////////////////////////////////////////////////////// - - -// f09 Disproportionation - -Y_rad_birad + XH_Rrad -> Y_H + X_R - -forward -reverse(f10): Molecular_Addition - -Actions 1 -(1) FORM_BOND {*1,S,*4} -(2) BREAK_BOND {*2,S,*4} -(3) CHANGE_BOND {*2,1,*3} -(4) LOSE_RADICAL {*1,1} -(5) LOSE_RADICAL {*3,1} - - diff --git a/output/RMG_database_sulfur/kinetics_groups/Disproportionation/tree.txt b/output/RMG_database_sulfur/kinetics_groups/Disproportionation/tree.txt deleted file mode 100644 index 3bc7b3cace..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Disproportionation/tree.txt +++ /dev/null @@ -1,121 +0,0 @@ -//disproportionation -//f09a_disproportionation -// JS, remove the O2b node to a new reaction families Disproportionation_O2d, Aug, 05, 2003 - -L1: Y_rad_birad - L2: Y_2centeradjbirad - L3: C2b - L2: Y_1centerbirad - L3: O_atom_triplet - L3: CH2_triplet - L2: Y_rad - L3: H_rad - L3: Cs_rad - L4: C_methyl - L4: C_pri_rad - L5: C_rad/H2/Cs - L5: C_rad/H2/Cd - L5: C_rad/H2/Ct - L5: C_rad/H2/Cb - L5: C_rad/H2/CO - L5: C_rad/H2/O - L4: C_sec_rad - L5: C_rad/H/NonDeC - L5: C_rad/H/NonDeO - L6: C_rad/H/CsO - L6: C_rad/H/O2 - L5: C_rad/H/OneDe - L6: C_rad/H/OneDeC - L6: C_rad/H/OneDeO - L5: C_rad/H/TwoDe - L4: C_ter_rad - L5: C_rad/NonDeC - L6: C_rad/Cs3 - L6: C_rad/NDMustO - L5: C_rad/OneDe - L6: C_rad/Cs2 - L6: C_rad/ODMustO - L5: C_rad/TwoDe - L6: C_rad/Cs - L6: C_rad/TDMustO - L5: C_rad/ThreeDe - L3: Cd_rad - L4: Cd_pri_rad - L4: Cd_sec_rad - L5: Cd_rad/NonDeC - L5: Cd_rad/NonDeO - L5: Cd_rad/OneDe - L3: Ct_rad - L3: Cb_rad - L3: CO_rad - L4: CO_pri_rad - L4: CO_sec_rad - L5: CO_rad/NonDe - L5: CO_rad/OneDe - L3: O_rad - L4: O_pri_rad - L4: O_sec_rad - L5: O_rad/NonDeC - L5: O_rad/NonDeO - L5: O_rad/OneDe - L3: S_rad - L4: S_pri_rad - L4: S_sec_rad - L5: S_rad/NonDeC - L5: S_rad/NonDeS - L5: S_rad/OneDe - - -L1 : XH_Rrad - L2 : Cmethyl_Rrad - L3 : Cmethyl_Csrad - L3 : Cmethyl_Cdrad - L3 : Cmethyl_COrad - L3 : Cmethyl_Orad - L3 : Cmethyl_Srad - L2 : Cpri_Rrad - L3 : C/H2/Nd_Rrad - L4 : C/H2/Nd_Csrad - L4 : C/H2/Nd_Cdrad - L4 : C/H2/Nd_COrad - L4 : C/H2/Nd_Orad - L3 : C/H2/De_Rrad - L4 : C/H2/De_Csrad - L4 : C/H2/De_Cdrad - L4 : C/H2/De_COrad - L4 : C/H2/De_Orad - L2 : Csec_Rrad - L3 : C/H/NdNd_Rrad - L4 : C/H/NdNd_Csrad - L4 : C/H/NdNd_Cdrad - L4 : C/H/NdNd_COrad - L4 : C/H/NdNd_Orad - L3 : C/H/NdDe_Rrad - L4 : C/H/NdDe_Csrad - L4 : C/H/NdDe_Cdrad - L4 : C/H/NdDe_COrad - L4 : C/H/NdDe_Orad - L3 : C/H/DeDe_Rrad - L4 : C/H/DeDe_Csrad - L4 : C/H/DeDe_Cdrad - L4 : C/H/DeDe_COrad - L4 : C/H/DeDe_Orad - L2 : Cdpri_Rrad - L3: Cdpri_Csrad - L3: Cdpri_Cdrad - L3: Cdpri_COrad - L3: Cdpri_Orad - L2 : COpri_Rrad - L3: COpri_Csrad - L3: COpri_Cdrad - L3: COpri_COrad - L3: COpri_Orad - L2 : O_Rrad - L3 : O_Csrad - L3 : O_Cdrad - L3 : O_COrad - L3 : O_Orad - L2 : S_Rrad - L3 : S_Csrad - L3 : S_Cdrad - L3 : S_Srad diff --git a/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/CVS/Entries deleted file mode 100644 index 75cd18d329..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/CVS/Entries +++ /dev/null @@ -1,5 +0,0 @@ -/comments.txt/1.1/Wed Aug 5 18:25:54 2009// -/dictionary.txt/1.1/Mon Jun 1 19:01:21 2009// -/rateLibrary.txt/1.2/Wed Aug 5 18:37:45 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.1/Mon Jun 1 19:01:21 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/CVS/Repository deleted file mode 100644 index 6725f72990..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/Disproportionation_O2d diff --git a/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/comments.txt b/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/comments.txt deleted file mode 100644 index e69de29bb2..0000000000 diff --git a/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/dictionary.txt deleted file mode 100644 index f2da4bd53f..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/dictionary.txt +++ /dev/null @@ -1,315 +0,0 @@ -// JS, make new dictionary for Disproportionation_O2d, Aug, 5, 2003 - -O2d -1 *1 O 0 {2,D} -2 *5 O 0 {1,D} - -XH_Rrad -1. *2 {R!H} 0 {2,S}, {3,S} -2. *3 {R!H} 1 {1,S} -3. *4 H 0 {1,S} - -Cmethyl_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O} 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. H 0 {1,S} - -Cmethyl_Csrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. H 0 {1,S} - -Cmethyl_Cdrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. H 0 {1,S} - -Cmethyl_COrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. H 0 {1,S} - -Cmethyl_Orad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. H 0 {1,S} - -Cpri_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O} 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {R!H} 0 {1,S} - -C/H2/Nd_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O} 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cs,O} 0 {1,S} - -C/H2/Nd_Csrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cs,O} 0 {1,S} - -C/H2/Nd_Cdrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cs,O} 0 {1,S} - -C/H2/Nd_COrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cs,O} 0 {1,S} - -C/H2/Nd_Orad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cs,O} 0 {1,S} - -C/H2/De_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O} 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H2/De_Csrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H2/De_Cdrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H2/De_COrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H2/De_Orad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} -4. H 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -Csec_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O} 1 {1,S} -3. *4 H 0 {1,S} -4. {R!H} 0 {1,S} -5. {R!H} 0 {1,S} - -C/H/NdNd_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O} 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O} 0 {1,S} -5. {Cs,O} 0 {1,S} - -C/H/NdNd_Csrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O} 0 {1,S} -5. {Cs,O} 0 {1,S} - -C/H/NdNd_Cdrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O} 0 {1,S} -5. {Cs,O} 0 {1,S} - -C/H/NdNd_COrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O} 0 {1,S} -5. {Cs,O} 0 {1,S} - -C/H/NdNd_Orad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O} 0 {1,S} -5. {Cs,O} 0 {1,S} - -C/H/NdDe_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O} 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/NdDe_Csrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/NdDe_Cdrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/NdDe_COrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/NdDe_Orad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} -4. {Cs,O} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/DeDe_Rrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 {Cs,Cd,CO,O} 1 {1,S} -3. *4 H 0 {1,S} -4. {Cd,Ct,Cb,CO} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/DeDe_Csrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} -4. {Cd,Ct,Cb,CO} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/DeDe_Cdrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} -4. {Cd,Ct,Cb,CO} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/DeDe_COrad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} -4. {Cd,Ct,Cb,CO} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -C/H/DeDe_Orad -1. *2 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} -4. {Cd,Ct,Cb,CO} 0 {1,S} -5. {Cd,Ct,Cb,CO} 0 {1,S} - -Cdpri_Rrad -1. *2 Cd 0 {2,S}, {3,S} -2. *3 {Cs,Cd,CO,O} 1 {1,S} -3. *4 H 0 {1,S} - -Cdpri_Csrad -1. *2 Cd 0 {2,S}, {3,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} - -Cdpri_Cdrad -1. *2 Cd 0 {2,S}, {3,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} - -Cdpri_COrad -1. *2 Cd 0 {2,S}, {3,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} - -Cdpri_Orad -1. *2 Cd 0 {2,S}, {3,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} - -COpri_Rrad -1. *2 CO 0 {2,S}, {3,S} -2. *3 {Cs,Cd,CO,O} 1 {1,S} -3. *4 H 0 {1,S} - -COpri_Csrad -1. *2 CO 0 {2,S}, {3,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} - -COpri_Cdrad -1. *2 CO 0 {2,S}, {3,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} - -COpri_COrad -1. *2 CO 0 {2,S}, {3,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} - -COpri_Orad -1. *2 CO 0 {2,S}, {3,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} - -O_Rrad -1. *2 O 0 {2,S}, {3,S} -2. *3 {Cs,Cd,CO,O} 1 {1,S} -3. *4 H 0 {1,S} - -O_Csrad -1. *2 O 0 {2,S}, {3,S} -2. *3 Cs 1 {1,S} -3. *4 H 0 {1,S} - -O_Cdrad -1. *2 O 0 {2,S}, {3,S} -2. *3 Cd 1 {1,S} -3. *4 H 0 {1,S} - -O_COrad -1. *2 O 0 {2,S}, {3,S} -2. *3 CO 1 {1,S} -3. *4 H 0 {1,S} - -O_Orad -1. *2 O 0 {2,S}, {3,S} -2. *3 O 1 {1,S} -3. *4 H 0 {1,S} - - - - - - diff --git a/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/rateLibrary.txt deleted file mode 100644 index 1b801c77c0..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/rateLibrary.txt +++ /dev/null @@ -1,27 +0,0 @@ -// rate library for f09b: Disproportionation_O2d reaction -// move rate constants from original disproportionation rate library, JS, Aug, 05, 2003 - -// Catherina Wijaya Thesis pg 157 - 158 -// [91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. -// [92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. -// [93] Tsang, W. J. Phys. Chem. Ref. Data 1991, 20, 221. -// [98] Atkinson, R.; Baulch, D.L.; Cox, R.A.; Crowley, J.N.; Hampson, R.F., Jr.; Kerr, J.A.; Rossi, M.J.; Troe, J. -// "summary of Evaluated Kinetic and Photochemical Data for Atmospheric Chemistry,", 2001. -// [183] DeMore, W.B.; Sander, S.P.; Golden, D.M.; Hampson, R.F.; Kurylo, M.J.; Howard, C.J.; Ravishankara, A.R.; Kolb, C.E.; Molina, M.J. JPL Publication 97-4 1997, 1. - -// JS, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// f09b_Disproportionation_O2d -// 20001: usinging root number of all disproporionation reacitons - -//No. Y_rad_birad XH_Rrad Temp. A N a E0 DA Dn Da DE0 Rank Comments -20001 O2d XH_Rrad 300-1500 3E+11 0 0 0 0 0 0 0 0 -487. O2d Cmethyl_Csrad 700-2500 1.26E+11 0 0 0 *3.0 0 0 0 4 Tsang [91] Literature review. O2 + iso-C3H7 --> CH3CH=CH2 + HO2 -501. O2d C/H2/Nd_Csrad 500-900 9.04E+10 0 0 0 *3.0 0 0 0 4 Tsang [91] Literature review. O2 + n-C3H7 --> HO2 + CH3CH=CH2 -513. O2d C/H/NdNd_Csrad 600-900 2.41E+10 0 0 0 *5.0 0 0 0 4 Tsang [92] Literature review. O2 + iso-C4H9 --> HO2 + iso-C4H8 -524. O2d Cdpri_Csrad 300-2500 1.21E+12 0 0 13.55 0 0 0 0 4 Tsang [93] Literature review. O2 + CH2CHCH2 --> HO2 + CH2=C=CH2 (Rate constant is an upper limit) -533. O2d O_Csrad 298 1.14E+13 0 0 0 0 0 0 0 4 Atkinson et al [98] literature review. O2 + CH3CHOH --> HO2 + CH3CHO -534. O2d O_Csrad 298 5.78E+12 0 0 0 0 0 0 0 4 Atkinson et al [98] literature review. O2 + CH2OH --> HO2 + CH2O -535. O2d O_Csrad 200-300 5.48E+12 0 0 0 0 0 0 0 4 DeMore et al [183] literature review. O2 + CH2OH --> HO2 + CH2O - diff --git a/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/reactionAdjList.txt deleted file mode 100644 index fa597abec7..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/reactionAdjList.txt +++ /dev/null @@ -1,25 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 29, 2003 // -// // -////////////////////////////////////////////////////// - - -// f09b Disproportionation - -O2d + XH_Rrad -> HO2 + X_R - -forward -reverse(f10b): HO2_Addition - -Actions 1 -(1) CHANGE_BOND {*1,-1,*5} -(2) GAIN_RADICAL {*5,1} -(3) FORM_BOND {*1,S,*4} -(4) BREAK_BOND {*2,S,*4} -(5) CHANGE_BOND {*2,1,*3} -(6) LOSE_RADICAL {*3,1} - - diff --git a/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/tree.txt b/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/tree.txt deleted file mode 100644 index 52d9e49938..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Disproportionation_O2d/tree.txt +++ /dev/null @@ -1,56 +0,0 @@ -// JS, add a special reaction family for O2 + R.-R'-H -> HO2. + R=R', Aug, 5, 2003 - -// disproportionation_O2d -// f09b_disproportionation_O2d -// using the original rates in Disproportionation reaction family of O2b + XH_Rad for the rate constant - -L1 : O2d - -L1 : XH_Rrad - L2 : Cmethyl_Rrad - L3 : Cmethyl_Csrad - L3 : Cmethyl_Cdrad - L3 : Cmethyl_COrad - L3 : Cmethyl_Orad - L2 : Cpri_Rrad - L3 : C/H2/Nd_Rrad - L4 : C/H2/Nd_Csrad - L4 : C/H2/Nd_Cdrad - L4 : C/H2/Nd_COrad - L4 : C/H2/Nd_Orad - L3 : C/H2/De_Rrad - L4 : C/H2/De_Csrad - L4 : C/H2/De_Cdrad - L4 : C/H2/De_COrad - L4 : C/H2/De_Orad - L2 : Csec_Rrad - L3 : C/H/NdNd_Rrad - L4 : C/H/NdNd_Csrad - L4 : C/H/NdNd_Cdrad - L4 : C/H/NdNd_COrad - L4 : C/H/NdNd_Orad - L3 : C/H/NdDe_Rrad - L4 : C/H/NdDe_Csrad - L4 : C/H/NdDe_Cdrad - L4 : C/H/NdDe_COrad - L4 : C/H/NdDe_Orad - L3 : C/H/DeDe_Rrad - L4 : C/H/DeDe_Csrad - L4 : C/H/DeDe_Cdrad - L4 : C/H/DeDe_COrad - L4 : C/H/DeDe_Orad - L2 : Cdpri_Rrad - L3: Cdpri_Csrad - L3: Cdpri_Cdrad - L3: Cdpri_COrad - L3: Cdpri_Orad - L2 : COpri_Rrad - L3: COpri_Csrad - L3: COpri_Cdrad - L3: COpri_COrad - L3: COpri_Orad - L2 : O_Rrad - L3 : O_Csrad - L3 : O_Cdrad - L3 : O_COrad - L3 : O_Orad diff --git a/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/CVS/Entries deleted file mode 100644 index 3a48c1fbe1..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/CVS/Entries +++ /dev/null @@ -1,5 +0,0 @@ -/comments.txt/1.1/Wed Aug 5 18:25:54 2009// -/dictionary.txt/1.3/Tue Jun 30 15:30:33 2009// -/rateLibrary.txt/1.2/Wed Aug 5 18:37:43 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.1/Mon Jun 1 19:01:21 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/CVS/Repository deleted file mode 100644 index 9b1a6aaba8..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/HO2_Elimination_from_PeroxyRadical diff --git a/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/comments.txt b/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/comments.txt deleted file mode 100644 index e69de29bb2..0000000000 diff --git a/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/dictionary.txt deleted file mode 100644 index 4910e96517..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/dictionary.txt +++ /dev/null @@ -1,463 +0,0 @@ -//HO2 elimination from peroxy radical - -R2OO -1 *1 {C,Si} 0 {2,S}, {5,S} -2 *2 {C,Si} 0 {1,S}, {3,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} - -R2OO_2H -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} - -R2OO_2H_2H -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {2,S} -9 H 0 {2,S} - -R2OO_2H_HNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_2H_HDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 H 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_2H_NdNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_2H_NdDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_2H_DeDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} -8 {Cd,Ct,Cb,CO} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_HNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cs,O} 0 {1,S} - -R2OO_HNd_2H -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cs,O} 0 {1,S} -8 H 0 {2,S} -9 H 0 {2,S} - -R2OO_HNd_HNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cs,O} 0 {1,S} -8 H 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_HNd_HDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cs,O} 0 {1,S} -8 H 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_HNd_NdNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cs,O} 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_HNd_NdDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cs,O} 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_HNd_DeDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cs,O} 0 {1,S} -8 {Cd,Ct,Cb,CO} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_HDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} - - -R2OO_HDe_2H -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 H 0 {2,S} -9 H 0 {2,S} - -R2OO_HDe_HNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 H 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_HDe_HDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 H 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_HDe_NdNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_HDe_NdDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_HDe_DeDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 H 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 {Cd,Ct,Cb,CO} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_NdNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cs,O} 0 {1,S} - - -R2OO_NdNd_2H -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cs,O} 0 {1,S} -8 H 0 {2,S} -9 H 0 {2,S} - -R2OO_NdNd_HNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cs,O} 0 {1,S} -8 H 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_NdNd_HDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cs,O} 0 {1,S} -8 H 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_NdNd_NdNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cs,O} 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_NdNd_NdDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cs,O} 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_NdNd_DeDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cs,O} 0 {1,S} -8 {Cd,Ct,Cb,CO} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_NdDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} - - -R2OO_NdDe_2H -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 H 0 {2,S} -9 H 0 {2,S} - -R2OO_NdDe_HNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 H 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_NdDe_HDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 H 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_NdDe_NdNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_NdDe_NdDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_NdDe_DeDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cs,O} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 {Cd,Ct,Cb,CO} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_DeDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cd,Ct,Cb,CO} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} - - -R2OO_DeDe_2H -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cd,Ct,Cb,CO} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 H 0 {2,S} -9 H 0 {2,S} - -R2OO_DeDe_HNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cd,Ct,Cb,CO} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 H 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_DeDe_HDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cd,Ct,Cb,CO} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 H 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_DeDe_NdNd -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cd,Ct,Cb,CO} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cs,O} 0 {2,S} - -R2OO_DeDe_NdDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cd,Ct,Cb,CO} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 {Cs,O} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - -R2OO_DeDe_DeDe -1 *1 C 0 {2,S}, {5,S}, {6,S}, {7,S} -2 *2 C 0 {1,S}, {3,S}, {8,S}, {9,S} -3 *3 O 0 {2,S}, {4,S} -4 *4 O 1 {3,S} -5 *5 H 0 {1,S} -6 {Cd,Ct,Cb,CO} 0 {1,S} -7 {Cd,Ct,Cb,CO} 0 {1,S} -8 {Cd,Ct,Cb,CO} 0 {2,S} -9 {Cd,Ct,Cb,CO} 0 {2,S} - diff --git a/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/rateLibrary.txt deleted file mode 100644 index 212639f77a..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/rateLibrary.txt +++ /dev/null @@ -1,19 +0,0 @@ -// rate library for f34: HO2 elimination from peroxy radical - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// f34 HO2 elimination from peroxy radical -// rate constants from rate_library_4.txt, cath, 03/07/28 - -// R2OO Temp. A n a E0 DA Dn Da DE0 Rank Comments -835. R2OO 300-1500 1E+10 1 0 30 0 0 0 0 0 -837. R2OO_HNd_2H 300-1500 4.79E+07 1.46 0 29.4 0 0 0 0 2 Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. -836. R2OO_2H_2H 300-1500 1.56E+07 1.69 0 29.8 0 0 0 0 2 Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. -838. R2OO_NdNd_2H 300-1500 5.06E+08 1.19 0 29.9 0 0 0 0 2 Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. -839. R2OO_2H_HNd 300-1500 9.79E+08 1.17 0 30.1 0 0 0 0 2 Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. -840. R2OO_HNd_HNd 300-1500 1.65E+09 1.01 0 29.6 0 0 0 0 2 Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. -841. R2OO_NdNd_HNd 300-1500 6.48E+10 0.57 0 29.9 0 0 0 0 2 Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. -842. R2OO_2H_NdNd 300-1500 7.48E+09 1.08 0 29.7 0 0 0 0 2 Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. -843. R2OO_HNd_NdNd 300-1500 8.11E+14 -0.78 0 30.4 0 0 0 0 2 Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. -844. R2OO_NdNd_NdNd 300-1500 3.10E+19 -1.78 0 31.7 0 0 0 0 2 Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. diff --git a/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/reactionAdjList.txt deleted file mode 100644 index 852b09a486..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/reactionAdjList.txt +++ /dev/null @@ -1,24 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan. 20, 2003 // -// // -////////////////////////////////////////////////////// - - -// f34 HO2 elimination from peroxy radical - -R2OO -> R=R + OOH - -forward -reverse: none - -Actions 1 -(1) BREAK_BOND {*1,S,*5} -(2) BREAK_BOND {*2,S,*3} -(3) CHANGE_BOND {*1,1,*2} -(4) FORM_BOND {*4,S,*5} -(5) GAIN_RADICAL {*3,1} -(6) LOSE_RADICAL {*4,1} - diff --git a/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/tree.txt b/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/tree.txt deleted file mode 100644 index f4cf23d98c..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/HO2_Elimination_from_PeroxyRadical/tree.txt +++ /dev/null @@ -1,90 +0,0 @@ -//HO2 elimination from peroxy radical - -//f34_ho2_elimination_from_peroxy - -L1 : R2OO - - L2 : R2OO_2H - - L3 : R2OO_2H_2H - - L3 : R2OO_2H_HNd - - L3 : R2OO_2H_HDe - - L3 : R2OO_2H_NdNd - - L3 : R2OO_2H_NdDe - - L3 : R2OO_2H_DeDe - - L2 : R2OO_HNd - - L3 : R2OO_HNd_2H - - L3 : R2OO_HNd_HNd - - L3 : R2OO_HNd_HDe - - L3 : R2OO_HNd_NdNd - - L3 : R2OO_HNd_NdDe - - L3 : R2OO_HNd_DeDe - - L2 : R2OO_HDe - - L3 : R2OO_HDe_2H - - L3 : R2OO_HDe_HNd - - L3 : R2OO_HDe_HDe - - L3 : R2OO_HDe_NdNd - - L3 : R2OO_HDe_NdDe - - L3 : R2OO_HDe_DeDe - - L2 : R2OO_NdNd - - L3 : R2OO_NdNd_2H - - L3 : R2OO_NdNd_HNd - - L3 : R2OO_NdNd_HDe - - L3 : R2OO_NdNd_NdNd - - L3 : R2OO_NdNd_NdDe - - L3 : R2OO_NdNd_DeDe - - L2 : R2OO_NdDe - - L3 : R2OO_NdDe_2H - - L3 : R2OO_NdDe_HNd - - L3 : R2OO_NdDe_HDe - - L3 : R2OO_NdDe_NdNd - - L3 : R2OO_NdDe_NdDe - - L3 : R2OO_NdDe_DeDe - - L2 : R2OO_DeDe - - L3 : R2OO_DeDe_2H - - L3 : R2OO_DeDe_HNd - - L3 : R2OO_DeDe_HDe - - L3 : R2OO_DeDe_NdNd - - L3 : R2OO_DeDe_NdDe - - L3 : R2OO_DeDe_DeDe - diff --git a/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/CVS/Entries deleted file mode 100644 index aeabacc6f4..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/CVS/Entries +++ /dev/null @@ -1,5 +0,0 @@ -/comments.txt/1.1/Wed Aug 5 18:25:54 2009// -/dictionary.txt/1.3/Wed Aug 5 18:37:44 2009// -/rateLibrary.txt/1.3/Wed Aug 5 21:29:37 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.1/Mon Jun 1 19:01:21 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/CVS/Repository deleted file mode 100644 index 10974d1496..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/H_Abstraction diff --git a/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/Oude files.zip b/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/Oude files.zip deleted file mode 100644 index 073c25926637a006e5d60736a47155004a437f74..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 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Development and application of Detailed Kinetic Mechanisms for Free Radical Systems. - -03: [118] Dean, A.M. Development and application of Detailed Kinetic Mechanisms for Free Radical Systems. - -04: [118] Dean, A.M. Development and application of Detailed Kinetic Mechanisms for Free Radical Systems. - -05: [118] Dean, A.M. Development and application of Detailed Kinetic Mechanisms for Free Radical Systems. - -06: [118] Dean, A.M. Development and application of Detailed Kinetic Mechanisms for Free Radical Systems. - -07: Sumathy CBS-Q calculations. Rate expression per H atom. - -08: Sumathy CBS-Q calculations. Rate expression per H atom. - -09: Sumathy CBS-Q calculations. Rate expression per H atom. - -10: Sumathy CBS-Q calculations. Rate expression per H atom. - -11: Sumathy CBS-Q calculations. Rate expression per H atom. - -12: Sumathy CBS-Q calculations. Rate expression per H atom. - -13: Sumathy CBS-Q calculations. Rate expression per H atom. - -14: Sumathy CBS-Q calculations. Rate expression per H atom. - -15: Sumathy CBS-Q calculations. Rate expression per H atom. - -16: Sumathy CBS-Q calculations. Rate expression per H atom. - -17: Sumathy CBS-Q calculations. Rate expression per H atom. - -18: Sumathy CBS-Q calculations. Rate expression per H atom. - -19: Sumathy CBS-Q calculations. Rate expression per H atom. - -20: Sumathy CBS-Q calculations. Rate expression per H atom. - -21: Sumathy CBS-Q calculations. Rate expression per H atom. - -22: Sumathy CBS-Q calculations. Rate expression per H atom. - -23: Sumathy CBS-Q calculations. Rate expression per H atom. - -24: Sumathy CBS-Q calculations. Rate expression per H atom. - Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - ROH + H --> RO + H2 - Verified by Karma James - -25: Sumathy CBS-Q calculations. Rate expression per H atom. - Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - HCHO + H --> HCO + H2 - Verified by Karma James - -26: Sumathy CBS-Q calculations. Rate expression per H atom. - Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - RCHO + H --> RCO + H2 - Verified by Karma James - -27: Sumathy CBS-Q calculations. Rate expression per H atom. - Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - R2C=CH2 + H --> R2C=CH + H2 - Verified by Karma James - -28: Sumathy CBS-Q calculations. Rate expression per H atom. - -29: Sumathy CBS-Q calculations. Rate expression per H atom. - -30: Sumathy CBS-Q calculations. Rate expression per H atom. - Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - RCH=CR2 + H --> RC=CR2 + H2 - Verified by Karma James - -31: Sumathy CBS-Q calculations. Rate expression per H atom. - Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - R2C=CRCH3 + H --> R2C=CRCH2 + H2 - Verified by Karma James - -32: Sumathy CBS-Q calculations. Rate expression per H atom. - Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - RR2C=CRCH2R + H --> R2C=CRCHR + H2 - Verified by Karma James - -33: Sumathy CBS-Q calculations. Rate expression per H atom. - Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - RCCCH2R + H --> RCCCHR + H2 - Verified by Karma James - -34: Sumathy CBS-Q calculations. Rate expression per H atom. - Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - R2C=CRCHR2 + H --> R2C=CRCR2 + H2 - Verified by Karma James - -35: Sumathy CBS-Q calculations. Rate expression per H atom. - Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - RCCCHR2 + H --> RCCCR2 + H2 - Verified by Karma James - -36: Sumathy CBS-Q calculations. Rate expression per H atom. - Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - R2C=CH-CH2-CH=CR2 + H --> R2C=CH-CH-CH=CR2 + H2 - Verified by Karma James - -37: Sumathy CBS-Q calculations. Rate expression per H atom. - Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - R2C=CRCH=CR2 + H --> R2C=CRC=CR2 + H2 - Verified by Karma James - -38: Sumathy CBS-Q calculations. Rate expression per H atom. - Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - RCC-CH=CR2 + H --> RCC-C=CR2 + H2 - Verified by Karma James - -39: Sumathy CBS-Q calculations. Rate expression per H atom. - Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - RCCH + H --> RCC + H2 - NOTE: There was a discrepancy in the rate values. The published values were: A = 1.30E+08, n = 1.88, - E0 = 1.34E+04 - RMG values: A=1.65E+08, n=1.85, E0= 26.52. - Verified by Karma James - -40: Sumathy CBS-Q calculations. Rate expression per H atom. - Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - RCCCH3 + H --> RCCCH2 + H2 - Verified by Karma James - -41: Sumathy CBS-Q calculations. Rate expression per H atom. - -42: Sumathy CBS-Q calculations. Rate expression per H atom. - -43: Sumathy CBS-Q calculations. Rate expression per H atom. - -44: Sumathy CBS-Q calculations. Rate expression per H atom. - -45: Sumathy CBS-Q calculations. Rate expression per H atom. - -46: Sumathy CBS-Q calculations. Rate expression per H atom. - -47: Sumathy CBS-Q calculations. Rate expression per H atom. - -48: Sumathy CBS-Q calculations. Rate expression per H atom. - Sumathi, R.; Carstensen, H.-H.; Green, W.H. Jr.; J. Phys. Chem. A. 2001, 105, 8978 - Table 8: Modified ArrHenius Fitted Parameters for GA Predicted Rates. - RCOOOH + H --> RCOOO + H2 - Verified by Karma James - -49: Sumathy CBS-Q calculations. Rate expression per H atom. - -50: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - Same reaction as #19. - Saeys, M.; Reyniers, M.-F.; Marin, G.B.; Van Speybroeck, V.; Waroquier, M. J. Phys. Chem. A 2003, 107, 9147 - 9159. - CH3 + CH4 --> CH4 + CH3 - pg 9156 Table 6: Calculated and Experimental Activation Energies(kJ/mol) at 0 K, deltaE (0 k), - for Three Families of Radical Reactions from Various Levels of Theory. - From reference: E0 = 71.0/4.185 = 16.97, @ 0 K, from database: E0 = 19.0 @ 300 - 1500 K - Experimental values from reference @ 0 K = 55.4 kJ/mol, 60.7 kJ/mol, 61.9 kJ/mol - -51: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -52: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -53: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -54: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -55: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -56: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -57: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -58: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -59: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -60: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -61: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -62: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -63: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -64: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -65: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -66: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -67: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -68: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -69: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -70: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -71: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -72: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -73: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -74: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -75: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -76: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -77: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -78: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -79: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -80: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -81: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -82: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -83: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -84: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -85: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -86: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -87: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -88: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -89: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -90: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -91: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -92: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -93: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -94: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -95: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -96: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -97: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -98: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -99: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -100: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -101: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -102: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -103: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -104: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -105: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -106: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -107: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -108: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -109: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -110: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -111: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -112: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -113: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -114: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -115: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -116: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -117: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -118: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -119: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -120: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -121: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -122: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -123: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -124: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -125: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -126: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -127: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -128: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -129: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -130: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -131: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -132: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -133: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -134: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -135: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -136: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -137: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -138: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -139: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -140: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -141: Mark Saeys, CBS-QB3 calculations, without hindered rotor treatment. Rate expression per H atom. - -142: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Rate expressions for H atom abstraction from fuels. - pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:OH, Site: primary (a) - Verified by Karma James - -143: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Rate expressions for H atom abstraction from fuels. - pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:OH, Site: secondary (b) - Verified by Karma James - -144: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Rate expressions for H atom abstraction from fuels. - pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:OH, Site: tertiary (c) - Verified by Karma James - -145: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Rate expressions for H atom abstraction from fuels. - pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:O, Site: primary (a) - Verified by Karma James - -146: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Rate expressions for H atom abstraction from fuels. - pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:O, Site: secondary (b) - Verified by Karma James - -147: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Rate expressions for H atom abstraction from fuels. - pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:O, Site: tertiary (c) - Verified by Karma James - -148: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Rate expressions for H atom abstraction from fuels. - pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:HO2, Site: primary (a) - Verified by Karma James - -149: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Rate expressions for H atom abstraction from fuels. - pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:HO2, Site: secondary (b) - Verified by Karma James - -150: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Rate expressions for H atom abstraction from fuels. - pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:HO2, Site: tertiary (c) - Verified by Karma James - -151: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Rate expressions for H atom abstraction from fuels. - pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:CH3O, Site: primary (a) - Verified by Karma James - -152: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Rate expressions for H atom abstraction from fuels. - pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:CH3O, Site: secondary (b) - Verified by Karma James - -153: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Rate expressions for H atom abstraction from fuels. - pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:CH3O, Site: tertiary (c) - Verified by Karma James - -154: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Rate expressions for H atom abstraction from fuels. - pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:O2, Site: primary (a) - Verified by Karma James - -155: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Rate expressions for H atom abstraction from fuels. - pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:O2, Site: secondary (b) - Verified by Karma James - -156: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Rate expressions for H atom abstraction from fuels. - pg 257 A Comprehensive Modelling Study of iso-Octane Oxidation, Table 1. Radical:O2, Site: tertiary (c) - Verified by Karma James - -157: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - H2 + O2 --> H + HO2 C.D.W divided original rate expression by 2, to get rate expression per H atom. - pg 1091, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 3,2. - Verified by Karma James - -158: [119] Knyazev, V.D; Bencsura, A.; Stoliarov, S.I.; Slagle, I.R. J. Phys. Chem. 1996, 100, 11346. - H2 + C2H3 --> H + C2H4 C.D.W divided original rate expression by 2 ( from A = 9.45E+03), to get rate expression per H atom. - -159: [120] Mebel, A.M.; Morokuma, K.; Lin, M.C. J Chem. Phys. 1995, 103, 3440. - H2 + C2H3 --> H + C2H4 C.D.W divided original rate expression by 2, to get rate expression per H atom. - -160: [121] Weissman, M.A.; Benson, S.W. J. Phys. Chem. 1988, 92, 4080. - H2 + C2H3 --> H + C2H4 C.D.W divided original rate expression by 2 ( from A = 3.15E+09), to get rate expression per H atom. - -161: [94] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Frank, P.; Hayman, G,; Just, T.; Kerr, J.A.; Murrells, T.; Pilling, M.J.; - Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1994, 23, 847. - H2 + C2H --> H + C2H2 C.D.W divided original rate expression by 2, to get rate expression per H atom. - pg 863 Evaluated Kinetic Data for Combustion Modelling Supplement 1, Table 1. Bimolecular reactions - C2H Radical Reactions. - Verified by Karma James - -162: [122] Mebel, A.M.; Lin, M.C.; Yu, T.; Morokuma, K. J. Phys. Chem. A. 1997, 101, 3189. - H2 + phenyl --> H + benzene C.D.W divided original rate expression by 2 ( from A = 5.71E+04), to get rate expression per H atom. - -163: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - H2 + HCO --> H + CH20 C.D.W divided original rate expression by 2, to get rate expression per H atom. - pg 1094, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 15,2. - Verified by Karma James - -164: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - H2 + CH3CO --> H + CH3CHO C.D.W divided original rate expression by 2, to get rate expression per H atom. - WAS UNABLE TO VERIFY DATA!!! DATA NOT FOUND IN REFERENCE. - -165: [123] Isaacson, A.D. J. Chem. Phys. 1997, 107, 3832. - H2 + O2 --> H + H2O C.D.W divided original rate expression by 2, to get rate expression per H atom. - -166. [100] Jodkowski, J.T.; Rauez, M.-T.; Rayez, J.-C. J. Phys. Chem. A. 1999, 103, 3750. - H2 + CH3O --> H + CH30H The calculated reverse rate constants are in good agreement with experiment. - C.D.W divided original rate expression by 2, to get rate expression per H atom. - -167: [95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; - Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - CH4 + O2 --> CH3 + HO2 C.D.W divided original rate expression by 4, to get rate expression per H atom. - pg 417 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - O2 Reactions. - Verified by Karma James - -168: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - CH4 + C2H5 --> CH3 + C2H6 C.D.W divided original rate expression by 4, to get rate expression per H atom. - WAS UNABLE TO VERIFY DATA!!! DATA NOT FOUND IN REFERENCE. - -169: [91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. - CH4 + iso-C3H7 --> CH3 + C3H8 C.D.W divided original rate expression by 4, to get rate expression per H atom. - pg 894, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 42,10. - Verified by Karma James - -170: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - CH4 + C2H --> CH3 + C2H2 C.D.W divided original rate expression by 4, to get rate expression per H atom. - pg 1101, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 21,10. - Verified by Karma James - -171: [124] Heckmann, E.; Hippler, H. Troe, J. Sypm. Int. Combust. Proc. 1996, 26, 543. - Absolute value measured directly (excitation technique: thermal, analytical technique: vis-UV absorption) CH4 + phenyl --> benzene - C.D.W divided original rate expression by 4, to get rate expression per H atom. - -172: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - CH4 + HCO --> CH3 + CH2O C.D.W divided original rate expression by 4, to get rate expression per H atom. - pg 1094, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 15,10. - Verified by Karma James - -173: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - CH4 + CH3CO --> CH3 + CH3CHO C.D.W divided original rate expression by 4, to get rate expression per H atom. - pg 1102, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 22,10. - Verified by Karma James - -174: [125] Melissas, V.S.; Truhlar, D.G. J. Chem. Phys. 1993,99,1010. - CH4 + OH --> CH3 + H2O C.D.W divided original rate expression by 4, to get rate expression per H atom. - -175: [95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; - Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - CH4 + OH --> CH3 + H2O C.D.W divided original rate expression by 4, to get rate expression per H atom. - pg 419 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - OH Radical Reactions. - Verified by Karma James - -176: [101] Cohen, N. Int. J. Chem. Kinet. 1991, 23, 397. - CH4 + OH --> CH3 + H2O C.D.W divided original rate expression by 4, to get rate expression per H atom. - -177: [100] Jodkowski, J.T.; Rauez, M.-T.; Rayez, J.-C. J. Phys. Chem. A. 1999, 103, 3750. - CH4 + CH30 --> CH3 + CH3OH The calculated reverse rate constants are in good agreement with experiment. - C.D.W divided original rate expression by 4 ( from A= 1.51E+09), to get rate expression per H atom. - -178: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - CH4 + HO2 --> CH3 + H2O2 C.D.W divided original rate expression by 4, to get rate expression per H atom. - pg 1093, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 10,7. - Verified by Karma James - -179: [95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; - Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - C2H6 + O2 --> C2H5 + HO2 C.D.W divided original rate expression by 6, to get rate expression per H atom. - pg 417 Evaluated Kinetic Data for Combustion Modelling Table 1. Bimolecular reactions - O2 Reactions. (The value for E0 does not - match the value in the reference, E0 RMG = 1.87; E0 Reference = 51.86) - Verified by Karma James - -180: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - C2H6 + C2H --> C2H5 + C2H2 C.D.W divided original rate expression by 6, to get rate expression per H atom. - pg 1101, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 21,11. - Verified by Karma James - -181: [126] Park, J.; Gheyas, S.; Lin, M.C. Int. J. Chem. Kinet. 2001, 33, 64. - Absolute value measured directly. Static or low flow, flash photolysis excitation, Vis-UV absoprtion analysis. - Phenyl radicals are produced from 193 nm photolysis of C6H5COCH3. The cavity ringdown spectroscopy and/or mass spectroscopy - have been used to monitor reactant and/or products. C2H6 + phenyl --> C2H5 + benzene. - C.D.W divided original rate expression by 6 ( from A= 2.09E+11), to get rate expression per H atom. Original delta A = 2.0E+10. - -182: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - C2H6 + HCO --> C2H5 + CH2O C.D.W divided original rate expression by 6(from A = 4.69E+04), to get rate expression per H atom. - pg 1094, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 15,11. - Verified by Karma James - -183: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - C2H6 + CH3CO --> C2H5 + CH3CHO C.D.W divided original rate expression by 6(from A = 1.81E+04), to get rate expression per H atom. - pg 1102, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 22,11. - Verified by Karma James - -184: [95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; - Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - C2H6 + OH --> C2H5 + H2O C.D.W divided original rate expression by 6, to get rate expression per H atom. - pg 420 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - OH Radical Reactions. - Verified by Karma James - -185: [127] Taylor, P.H.; Rahman, M.S.; Arif, M.; Dellinger, B.; Marshall, P. Sypm. Int. Combust. Proc. 1996, 26, 497. - CH3CHO + OH --> CH2CHO + H2O Rate constant is high pressure limit (pressure 0.13-0.97atm?) - C.D.W divided original rate expression by 3(from A = 1.55E+06), to get rate expression per H atom. - -186: [100] Jodkowski, J.T.; Rauez, M.-T.; Rayez, J.-C. J. Phys. Chem. A. 1999, 103, 3750. - CH3OH + CH3 --> CH2OH + CH4 The calculated rate constants are in good agreement with experiment. - C.D.W divided original rate expression by 3 ( from A= 8.43E+08), to get rate expression per H atom. - -187: [100] Jodkowski, J.T.; Rauez, M.-T.; Rayez, J.-C. J. Phys. Chem. A. 1999, 103, 3750. - CH3OH + OH --> CH2OH + H2O The calculated rate constants are in good agreement with experiment. - C.D.W divided original rate expression by 3 ( from A= 2.11E+11), to get rate expression per H atom. - -188: [91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. - C3H8 + O2 --> iso-C3H7 + HO2 C.D.W divided original rate expression by 2, to get rate expression per H atom. - pg 891, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 40,3. - NOTE: For A value, Database value = 1.985E+13 and Reference value = 1.65E+13 - Verified by Karma James - -189: [91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. - C3H8 + CH2 --> iso-C3H7 + CH3 C.D.W divided original rate expression by 2(from A = 1.51), to get rate expression per H atom. -` pg 892, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 40,26. - Verified by Karma James - -190: [91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. - C3H8 + O --> iso-C3H7 + OH C.D.W divided original rate expression by 2(from A = 4.77E+04), to get rate expression per H atom. - pg 891, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 40,5. - Verified by Karma James - -191: [91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. - C3H8 + CH2OH --> iso-C3H7 + CH3OH C.D.W divided original rate expression by 2(from A = 6.03E+01), to get rate expression per H atom. - WAS UNABLE TO VERIFY DATA!!! DATA NOT FOUND IN REFERENCE. - -192: [91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. - C3H8 + C2H3 --> iso-C3H7 + C2H4 C.D.W divided original rate expression by 2, to get rate expression per H atom. - pg 891, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 40,19. - Verified by Karma James - -193: [91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. - C3H8 + C2H --> iso-C3H7 + C2H2 C.D.W divided original rate expression by 2, to get rate expression per H atom. - pg 891, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 40,21. - Verified by Karma James - -194: [91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. - C3H8 + HCO --> iso-C3H7 + CH2O C.D.W divided original rate expression by 2, to get rate expression per H atom. - pg 891, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 40,15. - Verified by Karma James - -195: [91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. - C3H8 + CH3CO --> iso-C3H7 + CH3CHO C.D.W divided original rate expression by 2, to get rate expression per H atom. - pg 891, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 40,22. - Verified by Karma James - -196: [101] Cohen, N. Int. J. Chem. Kinet. 1991, 23, 397. - C3H8 + OH --> iso-C3H7 + H20 C.D.W divided original rate expression by 2, to get rate expression per H atom. - DOES NOT MATCH! Reference: A = 2.95E+23, E0 = 0.89, n = 0.1, Database: A = 3.95E+06, E0 = 0.16, n = 1.90 - pg 891, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 40,6. - Verified by Karma James - -197: [91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. - C3H8 + CH3O --> iso-C3H7 + CH3OH C.D.W divided original rate expression by 2, to get rate expression per H atom. - pg 891, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 40,24. - Verified by Karma James - -198: [92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. - Iso-C4H10 + O2 --> tert-C4H9 + HO2 - -199: [92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. - Iso-C4H10 + O --> tert-C4H9 + OH - -200: [92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. - Iso-C4H10 + CH2 --> tert-C4H9 + CH3 - -201: [92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. - Iso-C4H10 + C2H3 --> tert-C4H9 + C2H4 - -202: [92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. - Iso-C4H10 + C2H --> tert-C4H9 + C2H2 - -203: [92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. - Iso-C4H10 + HCO --> tert-C4H9 + CH2O - -204: [92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. - Iso-C4H10 + CH3CO --> tert-C4H9 + CH3CHO - -205: [101] Cohen, N. Int. J. Chem. Kinet. 1991, 23, 397. - Iso-C4H10 + OH --> tert-C4H9 + H2O - -206: [92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. - Iso-C4H10 + CH3O --> tert-C4H9 + CH3OH - -207: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - C2H4 + O2 --> C2H3 + HO2 C.D.W divided original rate expression by 4, to get rate expression per H atom. - pg 1097, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 18,3. - Verified by Karma James - -208: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - C2H4 + CO --> C2H3 + HCO C.D.W divided original rate expression by 4(from A= 1.51E+14), to get rate expression per H atom. - pg 1097, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 18,14. - Verified by Karma James - -209: [128] Mahmud, K.; Marshall, P.; Fontijn, A. J Phys. Chem. 1987, 91, `568. - C2H4 + O --> C2H3 + OH C.D.W divided original rate expression by 4(from A= 1.51E+07), to get rate expression per H atom. - -210: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - C2H4 + C2H5 --> C2H3 + C2H6 C.D.W divided original rate expression by 4, to get rate expression per H atom. - pg 1098, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 18,17. - Verified by Karma James - -211: [95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; - Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - C2H4 + OH --> C2H3 + H2O C.D.W divided original rate expression by 4(from A= 2.05E+13), to get rate expression per H atom. - pg 420 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - OH Radical Reactions. - Verified by Karma James - -212: [93] Tsang, W. J. Phys. Chem. Ref. Data 1991, 20, 221. - CH3CH=CH2 + O --> CH3C=CH2 + OH - pg 233-234 - Verified by MRH on 6Aug2009 - -213: [93] Tsang, W. J. Phys. Chem. Ref. Data 1991, 20, 221. - CH3CH=CH2 + H --> CH3C=CH2 + H2 - pg 231 - Previous modified Arrhenius parameters were for RELATIVE rate (kc/ka) - Multipled kc/ka by ka to get kc (only one H to abstract, so no division necessary) - Valid T range in reference suggested 300-800K - Verified by MRH on 6Aug2009 - -214: [93] Tsang, W. J. Phys. Chem. Ref. Data 1991, 20, 221. - CH3CH=CH2 + CH3 --> CH3C=CH2 + CH4 - pg 237-239 - Previous modified Arrhenius parameters were for RELATIVE rate (ke/kc) - Multiplied ke/kc by kc to get ke (only one H to abstract, so no division necessary) - Verified by MRH on 6Aug2009 - -215: [93] Tsang, W. J. Phys. Chem. Ref. Data 1991, 20, 221. - CH3CH=CH2 + C2H3 --> CH3C=CH2 + C2H4 - pg 240-241 - Previous modified Arrhenius parameters were for RELATIVE rate (kc/ka) - Multiplied kc/ka by ka to get kc (only one H to abstract, so no division necessary) - Verified by MRH on 6Aug2009 - -216: [93] Tsang, W. J. Phys. Chem. Ref. Data 1991, 20, 221. - CH3CH=CH2 + C2H --> CH3C=CH2 + C2H2 - pg 241 - Verified by MRH on 6Aug2009 - -217: [93] Tsang, W. J. Phys. Chem. Ref. Data 1991, 20, 221. - CH3CH=CH2 + OH --> CH3C=CH2 + H2O - pg 235-236 - Valid T range in reference suggested 700-2500K - Uncertainty stated in reference was *2.0 - Verified by MRH on 6Aug2009 - -218: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - C2H2 + O2 --> C2H + HO2 C.D.W divided original rate expression by 2, to get rate expression per H atom. - pg 1100, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 20,3. - Verified by Karma James - -219: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - C2H2 + CO --> C2H + HCO C.D.W divided original rate expression by 2, to get rate expression per H atom. - pg 1100, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 20,14. - Verified by Karma James - -220: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - C2H2 + C2H5 --> C2H + C2H6 C.D.W divided original rate expression by 2 (from A= 2.71E+11), to get rate expression per H atom. - pg 1100, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 20,17. - Verified by Karma James - -221: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - C2H2 + OH --> C2H + H2O C.D.W divided original rate expression by 2, to get rate expression per H atom. - pg 1100, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 20,6. - Verified by Karma James - -222: [129] Asaba, T.; Fujii, N.; Proc. Int. Symp. Shock Tubes Waves 1971, 8, 1. - Benzene + O2 --> phenyl + HO2 C.D.W divided original rate expression by 6(from A = 6.31E+13), to get rate expression per H atom. - -223: [122] Mebel, A.M.; Lin, M.C.; Yu, T.; Morokuma, K. J. Phys. Chem. A. 1997, 101, 3189. - Rate constant is high pressure limit. Benzene + H --> phenyl + H2 - C.D.W divided original rate expression by 6(from A = 6.02E+08), to get rate expression per H atom. - -224: [130] Nicovich, J.M.; Ravishankara, A.R. J. Phys. Chem. 1984, 88, 2534. - Pressure 0.01-0.26 atm Excitation: flash photolysis, analysis: resonance fluorescence. Benzene + H --> phenyl + H2 - C.D.W divided original rate expression by 6(from A = 3.01E+12), to get rate expression per H atom. - -225: [131] Zhang, H.X.; Ahonkhai, S.I. Back, H.M. Can. J. Chem. 1989, 67, 1541. - Pressure 0.30-0.50 atm Excitation: thermal, analysis: GC. Benzene + C2H5 --> phenyl + C2H6 - C.D.W divided original rate expression by 6(from A = 6.31E+11), to get rate expression per H atom. - -226: [95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; - Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - Benzene + OH --> phenyl + H2O C.D.W divided original rate expression by 6(from A = 1.63E+08), to get rate expression per H atom. - pg 420 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - OH Radical Reactions. - Verified by Karma James - -227: [132] Michael, J.V.; Kumaran, S.S.; Su, M.-C. J. Phys. Chem. A. 1999, 103, 5942. - CH2O + O2 --> HCO + HO2 C.D.W divided original rate expression by 2, to get rate expression per H atom. - -228: [95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; - Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - CH2O + O --> HCO + OH C.D.W divided original rate expression by 2, to get rate expression per H atom. - pg 416 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - O Atom Reactions. - Verified by Karma James - -229: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - Rate constant is an upper limit. CH2O + CH2 --> HCO + CH3 - C.D.W divided original rate expression by 2 (from A= 6.03E+09), to get rate expression per H atom. - pg 1106, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 26,12. - Verified by Karma James - -230: [94] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Frank, P.; Hayman, G,; Just, T.; Kerr, J.A.; Murrells, T.; Pilling, M.J.; - Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1994, 23, 847. - CH2O + CH3 --> HCO + CH4 C.D.W divided original rate expression by 2, to get rate expression per H atom. - pg 862 Evaluated Kinetic Data for Combustion Modelling Supplement 1, Table 1. Bimolecular reactions - CH3 Radical Reactions. - Verified by Karma James - -231: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - CH2O + C2H5 --> HCO + C2H6 C.D.W divided original rate expression by 2, to get rate expression per H atom. - pg 1096, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 17,12. - Verified by Karma James - -232: [91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. - CH2O + iso-C3H7 --> HCO + C3H8 C.D.W divided original rate expression by 2, to get rate expression per H atom. - pg 894, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 42,12. - Verified by Karma James - -233: [92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. - CH2O + tert-C4H9 --> HCO + iso-C4H10 C.D.W divided original rate expression by 2 (from A= 3.25E+09), to get rate expression per H atom. - -234: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - CH2O + C2H3 --> HCO + C2H4 C.D.W divided original rate expression by 2, to get rate expression per H atom. - pg 1099, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 19,12. - Verified by Karma James - -235: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - CH2O + CH3CO --> HCO + CH3CHO C.D.W divided original rate expression by 2, to get rate expression per H atom. - pg 1102, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 22,12. - Verified by Karma James - -236: [95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; - Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - CH2O + OH --> HCO + H2O C.D.W divided original rate expression by 2 (from A= 3.43E+09), to get rate expression per H atom. - pg 419 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - OH Radical Reactions. - Verified by Karma James - -237: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - CH2O + CH3O --> HCO + CH3OH C.D.W divided original rate expression by 2, to get rate expression per H atom. - pg 1104, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 24,12. - Verified by Karma James - -238: [133] Eiteneer, B.; Yu, C.-L.; Goldenberg, M.; Frenklach, M. J. Phys. Chem. A. 1998, 102, 5196. - CH2O + HO2 --> HCO + H2O2 C.D.W divided original rate expression by 2 (from A= 4.11E+04), to get rate expression per H atom. - -239: [95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; - Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - CH3CHO + O2 --> CH3CO + HO2 - pg 417 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - O2 Reactions. - Verified by Karma James - -240: [134] Warnatz, J. Rate coefficeints in the C/H/O system. In Combustion Chemistry, 1984; pp 197. - CH3CHO + O --> CH3CO + OH - -241: [134] Warnatz, J. Rate coefficeints in the C/H/O system. In Combustion Chemistry, 1984; pp 197. - CH3CHO + H --> CH3CO + H2 - -242: [95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; - Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - CH3CHO + CH3 --> CH3CO + CH4 - pg 423 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - CH3 Radical Reactions. - Verified by Karma James - -243: [135] Loser, U.; Scherzer, K.; Weber, K. Z. Phys. Chem. (Leipzig) 1989, 270, 237. - CH3CHO + CH2CH=CH2 --> CH3CO + CH3CH=CH2 - -244: [136] Scherzer, K.; Loser, U.; Stiller, W. Z. Phys. Chem. 1987, 27, 300. - CH3CHO + C2H3 --> CH3CO + C2H4 - -245: [127] Taylor, P.H.; Rahman, M.S.; Arif, M.; Dellinger, B.; Marshall, P. Sypm. Int. Combust. Proc. 1996, 26, 497. - CH3CHO + OH --> CH3CO + H2O Pressure 0.13-0.97 atm. Rate constant is high pressure limit. - pg 501, Table 1, k2 = 2.00x10^6 T^1.8 exp(1300/RT) - Previous modified Arrhenius parameters had E=1.3 kcal/mol; it should be E=-1.3 kcal/mol - Verified by MRH on 6Aug2009 - -246: [134] Warnatz, J. Rate coefficeints in the C/H/O system. In Combustion Chemistry, 1984; pp 197. - CH3CHO + OH --> CH3CO + H2O - -247: [95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; - Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - CH3CHO + HO2 --> CH3CO + H2O2 - pg 421 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - HO2 Radical Reactions. - Verified by Karma James - -248: [137] Mayer, S.W.; Schieler, L. J. Phys. Chem. 1968, 72, 2628. - H2O + O2 --> OH + HO2. C.D.W divided original rate expression by 2, to get rate expression per H atom. - -249: [138] Karach, S.P.; Oscherov, V.I. J. Phys. Chem. 1999, 110, 11918. - H2O + O --> OH + OH. C.D.W divided original rate expression by 2 (from A= 2.95E+39), to get rate expression per H atom. - -250: [139] Harding, L.B.; Wagner, A.F. Symp. Int. Combust. proc. 1989, 22, 983. - H2O + O --> OH + OH. C.D.W divided original rate expression by 2 (from A= 1.48E+05), to get rate expression per H atom. - -251: [95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; - Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - H2O + H --> OH + H2. C.D.W divided original rate expression by 2, to get rate expression per H atom. - pg 418 Evaluated Kinetic Data for Combustion Modelling, Table 1. Bimolecular reactions - H Atom Reactions. - NOTE: E0 Rference = 18.4, E0 RMG database = 19.32 - Verified by Karma James - -252: [140] Ma, S.; Liu, R.; Sci. China Ser. S: 1996, 39, 37. - H2O + CH3 --> OH + CH4. C.D.W divided original rate expression by 2 (from A= 6.39), to get rate expression per H atom. - -253: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - H2O + CH3 --> OH + CH4. C.D.W divided original rate expression by 2 (from A= 4.83E+02), to get rate expression per H atom. - pg 1095, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 16,9. - Verified by Karma James - -254: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - H2O + C2H5 --> OH + C2H6. C.D.W divided original rate expression by 2 (from A= 3.39E+06), to get rate expression per H atom. - pg 1096, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 17,9. - Verified by Karma James - -255: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - H2O + C2H3 --> OH + C2H4. C.D.W divided original rate expression by 2 (from A= 4.83E+02), to get rate expression per H atom. - pg 1098, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 19,9. - Verified by Karma James - -256: [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - H2O + HCO --> OH + CH2O. C.D.W divided original rate expression by 2 (from A= 2.35E+08), to get rate expression per H atom. - pg 1094, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 15,9. - Verified by Karma James - -257: [141] Masgrau, L.; Gonzalez-Lafont, A.; Lluch, J.M. J. Phys. Chem. A. 1999, 103, 1044. - H2O + OH --> OH + H2O . C.D.W refitted their k(T) to get A, n, and Ea, and divided original rate expression by 2, to get rate expression per H atom. - pg 1050, Table 4, Section: HO + HOH = HOH + OH(1), Column k_ab_CVT/SCT - MRH computed modified Arrhenius parameters using least-squares regression: ln(k) = ln(A) + n*ln(T) - (E/R)*(1/T) - E: Multiplied (E/R) expression by 1.987e-3 - A: exp(ln(A)), multiplied by 6.02e23 (to convert /molecule to /mol) and divided by 2 (to get rate per H atom) - Verified by MRH on 7Aug2009 - -258: [100] Jodkowski, J.T.; Rauez, M.-T.; Rayez, J.-C. J. Phys. Chem. A. 1999, 103, 3750. - H2O + CH3O --> OH + CH3OH. C.D.W divided original rate expression by 2 (from A= 9.03E+08), to get rate expression per H atom. - -259: [134] Warnatz, J. Rate coefficeints in the C/H/O system. In Combustion Chemistry, 1984; pp 197. - CH3OH + O --> CH3O + OH - -260: [90] Tsang, W. J. Phys. Chem. Ref. Data 1987, 16, 471. - CH3OH + CH2 --> CH3O + CH3 - pg 475, Chemical Kinetic Database For Combustion Chemistry, Part 2 - Methanol. - Index of Reactions and Summary of Recommended Rate Expressions. No. 38,25. - Verified by Karma James - -261: [100] Jodkowski, J.T.; Rauez, M.-T.; Rayez, J.-C. J. Phys. Chem. A. 1999, 103, 3750. - The calculated rate constants are in good agreement with experiment. CH3OH + CH3 --> CH3O + CH4 - -262: [90] Tsang, W. J. Phys. Chem. Ref. Data 1987, 16, 471. - CH3OH + C2H5 --> CH3O + C2H6 - pg 475, Chemical Kinetic Database For Combustion Chemistry, Part 2 - Methanol. - Index of Reactions and Summary of Recommended Rate Expressions. No. 38,17. - Verified by Karma James - -263: [90] Tsang, W. J. Phys. Chem. Ref. Data 1987, 16, 471. - CH3OH + iso-C3H7 --> CH3O + C3H8 - WAS UNABLE TO VERIFY DATA!!! DATA NOT FOUND IN REFERENCE. - -264: [90] Tsang, W. J. Phys. Chem. Ref. Data 1987, 16, 471. - CH3OH + tert-C4H9 --> CH3O + iso-C4H10 - WAS UNABLE TO VERIFY DATA!!! DATA NOT FOUND IN REFERENCE. - -265: [90] Tsang, W. J. Phys. Chem. Ref. Data 1987, 16, 471. - CH3OH + C2H3 --> CH3O + C2H4 - pg 475, Chemical Kinetic Database For Combustion Chemistry, Part 2 - Methanol. - Index of Reactions and Summary of Recommended Rate Expressions. No. 38,19. - Verified by Karma James - -266: [90] Tsang, W. J. Phys. Chem. Ref. Data 1987, 16, 471. - CH3OH + C2H --> CH3O + C2H2 - pg 475, Chemical Kinetic Database For Combustion Chemistry, Part 2 - Methanol. - Index of Reactions and Summary of Recommended Rate Expressions. No. 38,21. - Verified by Karma James - -267: [100] Jodkowski, J.T.; Rauez, M.-T.; Rayez, J.-C. J. Phys. Chem. A. 1999, 103, 3750. - The calculated rate constants are in good agreement with experiment. CH3OH + OH --> CH3O + H2O - -268: [134] Warnatz, J. Rate coefficeints in the C/H/O system. In Combustion Chemistry, 1984; pp 197. - CH3OH + OH --> CH3O + H2O - diff --git a/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/dictionary.txt deleted file mode 100644 index 9a9ff6928f..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/dictionary.txt +++ /dev/null @@ -1,1685 +0,0 @@ -// dictionary for f01: HAbstraction reaction -// original from dictionary.txt, CDW 10/20/2002 -// SR and JS correct errors and add more nodes, Nov., 20, 2002 -// get rid of dots following the ID, add index to the central nodes, JS, Jan., 03, 2003 -// S.R., C.D.W (1/21/03) add biradicals -// JS, remove CO_birad to form a new family later: CO + RH -> HCO + R. Aug, 26, 2003 - -// -// R-H Tree -// - - -X-H -Union {H-H, C-H, O_H, S-H} - -H-H -1 *1 H 0 {2,S} -2 *2 H 0 {1,S} - -C-H -Union {Cs-H, Cds-H, Ct-H, Cb-H, C=S-H, CO_H} - -Cs-H -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} -5 R 0 {1,S} - -Cs-NonDe -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {H,Cs,Os,Ss} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} -5 {H,Cs,Os,Ss} 0 {1,S} - -Cs-HHHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -Cs-CsHHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -Cs-CsCsHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {1,S} - -Cs-CsCsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -Cs-OsHHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Os 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -Cs-OsOsHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} -5 H 0 {1,S} - -Cs-OsOsOsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} -5 Os 0 {1,S} - -Cs-SsHHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -Cs-SsSsHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} -5 H 0 {1,S} - -Cs-SsSsSsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} -5 Ss 0 {1,S} - -Cs-OsCsHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {1,S} - -Cs-OsCsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -Cs-OsOsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} -5 Cs 0 {1,S} - -Cs-SsCsHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {1,S} - -Cs-SsCsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -Cs-SsSsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} -5 Cs 0 {1,S} - -Cs-OneDe -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} -5 {H,Cs,Os,Ss} 0 {1,S} - -Cs-OneDeHHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -Cs-CdHHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {3,D} - -Cs-CtHHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -Cs-CbHHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -Cs-COHHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -Cs-C=SHHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 H 0 {1,S} -6 S 0 {3,D} - -Cs-OneDeCsHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {1,S} - -Cs-CdCsHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 H 0 {1,S} -6 C 0 {3,D} - -Cs-CtCsHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -Cs-CbCsHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {1,S} - -Cs-COCsHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {1,S} - -Cs-C=SCsHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 H 0 {1,S} -6 Sd 0 {3,D} - -Cs-OneDeCsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -Cs-CdCsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 Cs 0 {1,S} -6 C 0 {3,D} - -Cs-CtCsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -Cs-CbCsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -Cs-COCsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -Cs-C=SCsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 Cs 0 {1,S} -6 Sd 0 {3,D} - -Cs-OneDeOsHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Os 0 {1,S} -5 H 0 {1,S} - -Cs-OneDeSsHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} -5 H 0 {1,S} - -Cs-CdSsHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} -5 H 0 {1,S} - -Cs-CtSsHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} -4 Ss 0 {1,S} -5 H 0 {1,S} - -Cs-OneDeOsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Os 0 {1,S} -5 Cs 0 {1,S} - -Cs-OneDeOsOsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Os 0 {1,S} -5 Os 0 {1,S} - -Cs-OneDeOsSsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Os 0 {1,S} -5 Ss 0 {1,S} - -Cs-OneDeSsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} -5 Cs 0 {1,S} - -Cs-CdSsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} -5 Cs 0 {1,S} - -Cs-CtSsCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} -4 Ss 0 {1,S} -5 Cs 0 {1,S} - -Cs-OneDeSsSsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} -5 Ss 0 {1,S} - -Cs-TwoDe -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {H,Cs,Os,Ss} 0 {1,S} - -Cs-TwoDeHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 H 0 {1,S} - -Cs-CdCdHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S}, {6,D} -4 Cd 0 {1,S}, {7,D} -5 H 0 {1,S} -6 C 0 {3,D} -7 C 0 {4,D} - -Cs-CdCtHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S}, {6,D} -4 Ct 0 {1,S} -5 H 0 {1,S} -6 C 0 {3,D} - -Cs-CdCbHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S}, {6,D} -4 Cb 0 {1,S} -5 H 0 {1,S} -6 C 0 {3,D} - -Cs-CdCOHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S}, {6,D} -4 CO 0 {1,S} -5 H 0 {1,S} -6 C 0 {3,D} - -Cs-CdC=SHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S}, {6,D} -4 Cd 0 {1,S}, {7,D} -5 H 0 {1,S} -6 C 0 {3,D} -7 Sd 0 {4,D} - -Cs-CtCtHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {1,S} - -Cs-CtCbHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} -4 Cb 0 {1,S} -5 H 0 {1,S} - -Cs-CtCOHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} -4 CO 0 {1,S} -5 H 0 {1,S} - -Cs-CtC=SHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} -4 Cd 0 {1,S}, {6,D} -5 H 0 {1,S} -6 Sd 0 {4,D} - -Cs-CbCbHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cb 0 {1,S} -4 Cb 0 {1,S} -5 H 0 {1,S} - -Cs-CbCOHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cb 0 {1,S} -4 CO 0 {1,S} -5 H 0 {1,S} - -Cs-CbC=SHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S} -4 Cd 0 {1,S}, {6,D} -5 H 0 {1,S} -6 Sd 0 {4,D} - -Cs-COCOHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 CO 0 {1,S} -4 CO 0 {1,S} -5 H 0 {1,S} - -Cs-COC=SHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 CO 0 {1,S} -4 Cd 0 {1,S}, {6,D} -5 H 0 {1,S} -6 Sd 0 {4,D} - -Cs-C=SC=SHH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S}, {6,D} -4 Cd 0 {1,S}, {7,D} -5 H 0 {1,S} -6 Sd 0 {3,D} -7 Sd 0 {4,D} - -Cs-TwoDeCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Cs 0 {1,S} - -Cs-CdCdCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S}, {6,D} -4 Cd 0 {1,S}, {7,D} -5 Cs 0 {1,S} -6 C 0 {3,D} -7 C 0 {4,D} - -Cs-CdCtCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S}, {6,D} -4 Ct 0 {1,S} -5 Cs 0 {1,S} -6 C 0 {3,D} - -Cs-CdCbCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S}, {6,D} -4 Cb 0 {1,S} -5 Cs 0 {1,S} -6 C 0 {3,D} - -Cs-CdCOCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S}, {6,D} -4 CO 0 {1,S} -5 Cs 0 {1,S} -6 C 0 {3,D} - -Cs-CdC=SCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S}, {6,D} -4 Cd 0 {1,S}, {7,D} -5 Cs 0 {1,S} -6 C 0 {3,D} -7 Sd 0 {4,D} - -Cs-CtCtCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {1,S} - -Cs-CtCbCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} -4 Cb 0 {1,S} -5 Cs 0 {1,S} - -Cs-CtCOCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} -4 CO 0 {1,S} -5 Cs 0 {1,S} - -Cs-CtC=SCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} -4 Cd 0 {1,S}, {6,D} -5 Cs 0 {1,S} -6 Sd 0 {4,D} - -Cs-CbCbCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cb 0 {1,S} -4 Cb 0 {1,S} -5 Cs 0 {1,S} - -Cs-CbCOCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cb 0 {1,S} -4 CO 0 {1,S} -5 Cs 0 {1,S} - -Cs-CbC=SCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S} -4 Cd 0 {1,S}, {6,D} -5 Cs 0 {1,S} -6 Sd 0 {4,D} - -Cs-COCOCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 CO 0 {1,S} -4 CO 0 {1,S} -5 Cs 0 {1,S} - -Cs-COC=SCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 CO 0 {1,S} -4 Cd 0 {1,S}, {6,D} -5 Cs 0 {1,S} -6 Sd 0 {4,D} - -Cs-COC=SC=SH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 CO 0 {1,S} -4 Cd 0 {1,S}, {6,D} -5 Cs 0 {1,S} -6 Sd 0 {4,D} - -Cs-C=SC=SCsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S}, {6,D} -4 Cd 0 {1,S}, {7,D} -5 Cs 0 {1,S} -6 Sd 0 {3,D} -7 Sd 0 {4,D} - -Cs-TwoDeOsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Os 0 {1,S} - -Cs-TwoDeSsH -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Ss 0 {1,S} - -Cs-ThreeDe -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {1,S} - -Cds-H -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 R 0 {1,S} - -Cds-HH -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 H 0 {1,S} - -Cds-CsH -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 Cs 0 {1,S} - -Cds-CdH -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 Cd 0 {1,S}, {5,D} -5 C 0 {4,D} - -Cds-CtH -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 Ct 0 {1,S} - -Cds-CbH -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 Cb 0 {1,S} - -Cds-COH -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 CO 0 {1,S} - -Cds-C=SH -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 Cd 0 {1,S}, {5,D} -5 Sd 0 {4,D} - -Cds-OsH -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 Os 0 {1,S} - -Cds-SsH -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 C 0 {1,D} -3 *2 H 0 {1,S} -4 Ss 0 {1,S} - -Ct-H -1 *1 C 0 {2,T}, {3,S} -2 C 0 {1,T} -3 *2 H 0 {1,S} - -Cb-H -1 *1 Cb 0 {2,S} -2 *2 H 0 {1,S} - -C=S-H -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 Sd 0 {1,D} -3 *2 H 0 {1,S} -4 R 0 {1,S} - -C=S-HH -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 Sd 0 {1,D} -3 *2 H 0 {1,S} -4 H 0 {1,S} - -C=S-CsH -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 Sd 0 {1,D} -3 *2 H 0 {1,S} -4 Cs 0 {1,S} - -C=S-CdH -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 Sd 0 {1,D} -3 *2 H 0 {1,S} -4 Cd 0 {1,S}, {5,D} -5 C 0 {4,D} - -C=S-CtH -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 Sd 0 {1,D} -3 *2 H 0 {1,S} -4 Ct 0 {1,S} - -C=S-CbH -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 Sd 0 {1,D} -3 *2 H 0 {1,S} -4 Cb 0 {1,S} - -C=S-COH -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 Sd 0 {1,D} -3 *2 H 0 {1,S} -4 CO 0 {1,S} - -C=S-C=SH -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 Sd 0 {1,D} -3 *2 H 0 {1,S} -4 Cd 0 {1,S}, {5,D} -5 Sd 0 {4,D} - -C=S-OsH -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 Sd 0 {1,D} -3 *2 H 0 {1,S} -4 Os 0 {1,S} - -C=S-SsH -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 Sd 0 {1,D} -3 *2 H 0 {1,S} -4 Ss 0 {1,S} - -CO_H -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 O 0 {1,D} -3 *2 H 0 {1,S} -4 R 0 {1,S} - -CO_pri -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 O 0 {1,D} -3 *2 H 0 {1,S} -4 H 0 {1,S} - -CO_sec -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 O 0 {1,D} -3 *2 H 0 {1,S} -4 {R!H} 0 {1,S} - -CO/H/NonDe -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 O 0 {1,D} -3 *2 H 0 {1,S} -4 {Cs,O} 0 {1,S} - -CO/H/OneDe -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 O 0 {1,D} -3 *2 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -O_H -1 *1 O 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 R 0 {1,S} - -O_pri -1 *1 O 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} - -O_sec -1 *1 O 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 {R!H} 0 {1,S} - -O/H/NonDeC -1 *1 O 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} - -O/H/NonDeO -1 *1 O 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 O 0 {1,S} - -O/H/OneDe -1 *1 O 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -S-H -Union {Ss-H, SsI-H} - -Ss-H -1 *1 Ss 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 R 0 {1,S} - -Ss-HH -1 *1 Ss 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} - -Ss-CsH -1 *1 Ss 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} - -Ss-SsH -1 *1 Ss 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 Ss 0 {1,S} - -Ss-OneDeH -1 *1 Ss 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Ss-CdH -1 *1 Ss 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -Ss-CtH -1 *1 Ss 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} - -Ss-CbH -1 *1 Ss 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 Cb 0 {1,S} - -Ss-COH -1 *1 Ss 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 CO 0 {1,S} - -Ss-C=SH -1 *1 Ss 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S}, {4,D} -4 Sd 0 {3,D} - -SsI-H -1 *1 Ss 1 {2,S} -2 *2 H 0 {1,S} - -// -// RJ Tree -// - -YJ -union {HJ, CJ, O_rad, SJ} -// union {HJ, CJ, O_rad, SJ, Y_1centerbirad} - - -HJ -1 *3 H 1 - -CJ -1 *3 C 1 - -CsJ -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-HHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-OsOsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 H 0 {1,S} - -CsJ-OsOsOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} - -CsJ-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-OsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-OsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OsOsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsSsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {H,Cs,Os,Ss} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-OneDeHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CtHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CbHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-COHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-C=SHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 Sd 0 {2,D} - -CsJ-OneDeCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CtCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CbCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-COCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-C=SCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Sd 0 {2,D} - -CsJ-OneDeCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CtCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-COCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-C=SCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Sd 0 {2,D} - -CsJ-OneDeOsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 H 0 {1,S} - -CsJ-OneDeSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CdSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CtSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-OneDeOsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OneDeOsOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} - -CsJ-OneDeOsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Ss 0 {1,S} - -CsJ-OneDeSsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdSsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtSsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OneDeSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-TwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-TwoDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -CsJ-CdCtH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 CO 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 C 0 {2,D} -6 Sd 0 {3,D} - -CsJ-CtCtH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ct 0 {1,S} -4 H 0 {1,S} - -CsJ-CtCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cb 0 {1,S} -4 H 0 {1,S} - -CsJ-CtCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-CtC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -CsJ-CbCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cb 0 {1,S} -4 H 0 {1,S} - -CsJ-CbCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-CbC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -CsJ-COCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-COC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -CsJ-C=SC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 Sd 0 {2,D} -6 Sd 0 {3,D} - -CsJ-TwoDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -CsJ-CdCtCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 CO 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 C 0 {2,D} -6 Sd 0 {3,D} - -CsJ-CtCtCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -CsJ-CbCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -CsJ-COCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-COC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -CsJ-C=SC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 Sd 0 {2,D} -6 Sd 0 {3,D} - -CsJ-TwoDeOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Os 0 {1,S} - -CsJ-TwoDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-ThreeDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-H -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-Cs -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-Cd -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-Ct -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Ct 0 {1,S} - -CdsJ-Cb -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cb 0 {1,S} - -CdsJ-CO -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 CO 0 {1,S} - -CdsJ-C=S -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 Sd 0 {3,D} - -CdsJ-Os -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Os 0 {1,S} - -CdsJ-Ss -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Ss 0 {1,S} - -CtJ -1 *3 Ct 1 {2,T} -2 C 0 {1,T} - -CbJ -1 *3 Cb 1 - -C=SJ -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 R 0 {1,S} - -C=SJ-H -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 H 0 {1,S} - -C=SJ-Cs -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cs 0 {1,S} - -C=SJ-Cd -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -C=SJ-Ct -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Ct 0 {1,S} - -C=SJ-Cb -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cb 0 {1,S} - -C=SJ-CO -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 CO 0 {1,S} - -C=SJ-C=S -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 Sd 0 {3,D} - -C=SJ-Os -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Os 0 {1,S} - -C=SJ-Ss -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Ss 0 {1,S} - -CO_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 R 0 {1,S} - -CO_pri_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 H 0 {1,S} - -CO_sec_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {R!H} 0 {1,S} - -CO_rad/NonDe -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cs,O} 0 {1,S} - -C2b -1 *3 C 1 {2,T} -2 C 1 {1,T} - - -CO_rad/OneDe -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -O_rad -1 *3 O 1 {2,S} -2 R 0 {1,S} - -O_pri_rad -1 *3 O 1 {2,S} -2 H 0 {1,S} - -O_sec_rad -1 *3 O 1 {2,S} -2 {R!H} 0 {1,S} - -O_rad/NonDeC -1 *3 O 1 {2,S} -2 Cs 0 {1,S} - -O_rad/NonDeO -1 *3 O 1 {2,S} -2 O 0 {1,S} - -O_rad/OneDe -1 *3 O 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -O2b -1 *3 O 1 {2,S} -2 O 1 {1,S} - -// A.G. Vandeputte: I don't like the idea of having a special branch for biradicals -// Thermochemistry probably closer to the monoradical - -//Y_1centerbirad -//1 *3 {Cs,Cd,O,S} 2 - -//CO_birad -//1 *3 C 2T {2,D} -//2 O 0 {1,D} - -//O_atom_triplet -//1 *3 O 2 - -//CH2_triplet -//1 *3 C 2 {2,S}, {3,S} -//2 H 0 {1,S} -//3 H 0 {1,S} - -SJ -Union (SsJ, SJJ) - -SsJ -1 *3 Ss 1 {2,S} -2 R 0 {1,S} - -SsJ-H -1 *3 Ss 1 {2,S} -2 H 0 {1,S} - -SsJ-Cs -1 *3 Ss 1 {2,S} -2 Cs 0 {1,S} - -SsJ-Ss -1 *3 Ss 1 {2,S} -2 Ss 0 {1,S} - -SsJ-OneDe -1 *3 Ss 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-Cd -1 *3 Ss 1 {2,S} -2 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -SsJ-Ct -1 *3 Ss 1 {2,S} -2 Ct 0 {1,S} - -SsJ-Cb -1 *3 Ss 1 {2,S} -2 Cb 0 {1,S} - -SsJ-CO -1 *3 Ss 1 {2,S} -2 CO 0 {1,S} - -SsJ-C=S -1 *3 Ss 1 {2,S} -2 Cd 0 {1,S}, {3,D} -3 Sd 0 {2,D} - -SJJ -1 *3 S 2 - - - - - - - - diff --git a/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/rateLibrary.txt deleted file mode 100644 index 2e7d391384..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/rateLibrary.txt +++ /dev/null @@ -1,1214 +0,0 @@ -// rate library for f01: HAbstraction reaction -// original from rate library.txt, CDW 03/08/01 -// SR and JS rename some nodes according to the tree and dictionary correction, Nov., 20, 2002 -// JS, comment out 10th, change XH in 23 from C/Cd/H3 to Cs-CdHHH -// JS, remove CO_birad to form a new family later: CO + RH -> HCO + R. Aug, 26, 2003 - -// Catherina Wijaya thesis, pg 151 -154. - -// JS, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -//f01_intermolecular_HA -//No. XH Y_rad Temp. A n a E0 DA Dn Da DE0 Rank Comments - -// Aäron Vandeputte - -1 H-H HJ 300-1500 8.57E-01 4.24 0.00 5.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2 H-H CsJ-HHH 300-1500 2.48E-02 4.24 0.00 7.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -3 H-H CsJ-CsHH 300-1500 5.05E-03 4.24 0.00 9.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -4 H-H CsJ-CsCsH 300-1500 1.33E-02 4.24 0.00 10.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -5 H-H CsJ-CsCsCs 300-1500 7.01E-03 4.24 0.00 10.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -6 H-H CsJ-CdHH 300-1500 5.21E-02 4.24 0.00 20.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -7 H-H CsJ-CdCsH 300-1500 4.11E-02 4.24 0.00 22.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -8 H-H CsJ-CdCsCs 300-1500 1.12E-02 4.24 0.00 22.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -9 H-H CsJ-CdCdH 300-1500 1.65E-01 4.24 0.00 30.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -10 H-H CsJ-CdCdCs 300-1500 1.47E-02 4.24 0.00 31.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -11 H-H CsJ-CtHH 300-1500 2.37E-02 4.24 0.00 16.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -12 H-H CsJ-CtCsH 300-1500 9.85E-03 4.24 0.00 18.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -13 H-H CsJ-CtCsCs 300-1500 6.99E-03 4.24 0.00 19.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -14 H-H CsJ-CtCtH 300-1500 5.01E-02 4.24 0.00 24.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -15 H-H CsJ-CtCtCs 300-1500 2.47E-03 4.24 0.00 25.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -16 H-H CsJ-CbHH 300-1500 5.08E-02 4.24 0.00 18.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -17 H-H CsJ-CbCsH 300-1500 2.61E-02 4.24 0.00 19.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -18 H-H CsJ-CbCsCs 300-1500 1.24E-03 4.24 0.00 18.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -19 H-H CdsJ-H 300-1500 2.33E-02 4.24 0.00 3.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -20 H-H CdsJ-Cs 300-1500 2.31E-02 4.24 0.00 4.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -21 H-H CdsJ-Cd 300-1500 1.10E-02 4.24 0.00 10.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -22 H-H CbJ 300-1500 2.77E-02 4.24 0.00 0.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -23 H-H CdsJ-Ct 300-1500 2.36E-03 4.24 0.00 8.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -24 H-H CsJ-SsHH 300-1500 8.00E-03 4.24 0.00 13.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -25 H-H CsJ-SsCsH 300-1500 1.43E-02 4.24 0.00 13.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -26 H-H CsJ-SsCsCs 300-1500 5.76E-03 4.24 0.00 12.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -27 H-H CdsJ-Ss 300-1500 4.78E-02 4.24 0.00 5.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -28 H-H CsJ-CdSsH 300-1500 7.89E-02 4.24 0.00 24.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -29 H-H CsJ-CdSsCs 300-1500 9.97E-03 4.24 0.00 24.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -30 H-H CsJ-CtSsH 300-1500 4.69E-02 4.24 0.00 22.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -31 H-H CsJ-CtSsCs 300-1500 1.92E-01 4.24 0.00 23.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -32 Cs-HHHH HJ 300-1500 4.84E-01 4.24 0.00 8.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -33 Cs-HHHH CsJ-HHH 300-1500 1.40E-02 4.24 0.00 10.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -34 Cs-HHHH CsJ-CsHH 300-1500 2.85E-03 4.24 0.00 11.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -35 Cs-HHHH CsJ-CsCsH 300-1500 7.54E-03 4.24 0.00 12.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -36 Cs-HHHH CsJ-CsCsCs 300-1500 3.96E-03 4.24 0.00 12.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -37 Cs-HHHH CsJ-CdHH 300-1500 2.94E-02 4.24 0.00 23.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -38 Cs-HHHH CsJ-CdCsH 300-1500 2.32E-02 4.24 0.00 25.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -39 Cs-HHHH CsJ-CdCsCs 300-1500 6.34E-03 4.24 0.00 25.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -40 Cs-HHHH CsJ-CdCdH 300-1500 9.33E-02 4.24 0.00 33.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -41 Cs-HHHH CsJ-CdCdCs 300-1500 8.29E-03 4.24 0.00 33.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -42 Cs-HHHH CsJ-CtHH 300-1500 1.34E-02 4.24 0.00 19.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -43 Cs-HHHH CsJ-CtCsH 300-1500 5.57E-03 4.24 0.00 21.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -44 Cs-HHHH CsJ-CtCsCs 300-1500 3.95E-03 4.24 0.00 21.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -45 Cs-HHHH CsJ-CtCtH 300-1500 2.83E-02 4.24 0.00 27.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -46 Cs-HHHH CsJ-CtCtCs 300-1500 1.39E-03 4.24 0.00 28.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -47 Cs-HHHH CsJ-CbHH 300-1500 2.87E-02 4.24 0.00 21.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -48 Cs-HHHH CsJ-CbCsH 300-1500 1.48E-02 4.24 0.00 22.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -49 Cs-HHHH CsJ-CbCsCs 300-1500 7.03E-04 4.24 0.00 21.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -50 Cs-HHHH CdsJ-H 300-1500 1.32E-02 4.24 0.00 5.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -51 Cs-HHHH CdsJ-Cs 300-1500 1.30E-02 4.24 0.00 6.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -52 Cs-HHHH CdsJ-Cd 300-1500 6.22E-03 4.24 0.00 13.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -53 Cs-HHHH CbJ 300-1500 1.57E-02 4.24 0.00 3.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -54 Cs-HHHH CdsJ-Ct 300-1500 1.34E-03 4.24 0.00 10.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -55 Cs-HHHH CsJ-SsHH 300-1500 4.52E-03 4.24 0.00 15.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -56 Cs-HHHH CsJ-SsCsH 300-1500 8.07E-03 4.24 0.00 15.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -57 Cs-HHHH CsJ-SsCsCs 300-1500 3.26E-03 4.24 0.00 15.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -58 Cs-HHHH CdsJ-Ss 300-1500 2.70E-02 4.24 0.00 8.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -59 Cs-HHHH CsJ-CdSsH 300-1500 4.46E-02 4.24 0.00 26.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -60 Cs-HHHH CsJ-CdSsCs 300-1500 5.64E-03 4.24 0.00 26.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -61 Cs-HHHH CsJ-CtSsH 300-1500 2.65E-02 4.24 0.00 25.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -62 Cs-HHHH CsJ-CtSsCs 300-1500 1.08E-01 4.24 0.00 26.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -63 Cs-CsHHH HJ 300-1500 7.30E-01 4.24 0.00 6.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -64 Cs-CsHHH CsJ-HHH 300-1500 2.11E-02 4.24 0.00 8.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -65 Cs-CsHHH CsJ-CsHH 300-1500 3.24E-03 4.24 0.00 9.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -66 Cs-CsHHH CsJ-CsCsH 300-1500 6.46E-03 4.24 0.00 10.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -67 Cs-CsHHH CsJ-CsCsCs 300-1500 2.56E-03 4.24 0.00 9.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -68 Cs-CsHHH CsJ-CdHH 300-1500 3.05E-02 4.24 0.00 19.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -69 Cs-CsHHH CsJ-CdCsH 300-1500 1.82E-02 4.24 0.00 21.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -70 Cs-CsHHH CsJ-CdCsCs 300-1500 3.74E-03 4.24 0.00 21.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -71 Cs-CsHHH CsJ-CdCdH 300-1500 6.67E-02 4.24 0.00 29.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -72 Cs-CsHHH CsJ-CdCdCs 300-1500 4.47E-03 4.24 0.00 29.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -73 Cs-CsHHH CsJ-CtHH 300-1500 1.39E-02 4.24 0.00 16.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -74 Cs-CsHHH CsJ-CtCsH 300-1500 4.36E-03 4.24 0.00 17.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -75 Cs-CsHHH CsJ-CtCsCs 300-1500 2.33E-03 4.24 0.00 18.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -76 Cs-CsHHH CsJ-CtCtH 300-1500 2.03E-02 4.24 0.00 23.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -77 Cs-CsHHH CsJ-CtCtCs 300-1500 7.51E-04 4.24 0.00 24.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -78 Cs-CsHHH CsJ-CbHH 300-1500 2.98E-02 4.24 0.00 17.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -79 Cs-CsHHH CsJ-CbCsH 300-1500 1.16E-02 4.24 0.00 18.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -80 Cs-CsHHH CsJ-CbCsCs 300-1500 4.15E-04 4.24 0.00 17.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -81 Cs-CsHHH CdsJ-H 300-1500 1.99E-02 4.24 0.00 3.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -82 Cs-CsHHH CdsJ-Cs 300-1500 1.48E-02 4.24 0.00 4.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -83 Cs-CsHHH CdsJ-Cd 300-1500 9.38E-03 4.24 0.00 11.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -84 Cs-CsHHH CbJ 300-1500 2.36E-02 4.24 0.00 0.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -85 Cs-CsHHH CdsJ-Ct 300-1500 2.01E-03 4.24 0.00 8.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -86 Cs-CsHHH CsJ-SsHH 300-1500 6.81E-03 4.24 0.00 13.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -87 Cs-CsHHH CsJ-SsCsH 300-1500 1.22E-02 4.24 0.00 13.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -88 Cs-CsHHH CsJ-SsCsCs 300-1500 4.91E-03 4.24 0.00 13.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -89 Cs-CsHHH CdsJ-Ss 300-1500 4.07E-02 4.24 0.00 5.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -90 Cs-CsHHH CsJ-CdSsH 300-1500 6.72E-02 4.24 0.00 24.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -91 Cs-CsHHH CsJ-CdSsCs 300-1500 8.49E-03 4.24 0.00 24.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -92 Cs-CsHHH CsJ-CtSsH 300-1500 4.00E-02 4.24 0.00 23.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -93 Cs-CsHHH CsJ-CtSsCs 300-1500 1.63E-01 4.24 0.00 23.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -94 Cs-CsCsHH HJ 300-1500 1.67E+00 4.24 0.00 4.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -95 Cs-CsCsHH CsJ-HHH 300-1500 4.83E-02 4.24 0.00 6.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -96 Cs-CsCsHH CsJ-CsHH 300-1500 5.60E-03 4.24 0.00 7.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -97 Cs-CsCsHH CsJ-CsCsH 300-1500 8.42E-03 4.24 0.00 7.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -98 Cs-CsCsHH CsJ-CsCsCs 300-1500 2.52E-03 4.24 0.00 7.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -99 Cs-CsCsHH CsJ-CdHH 300-1500 4.82E-02 4.24 0.00 17.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -100 Cs-CsCsHH CsJ-CdCsH 300-1500 2.16E-02 4.24 0.00 18.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -101 Cs-CsCsHH CsJ-CdCsCs 300-1500 3.36E-03 4.24 0.00 18.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -102 Cs-CsCsHH CsJ-CdCdH 300-1500 7.24E-02 4.24 0.00 25.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -103 Cs-CsCsHH CsJ-CdCdCs 300-1500 3.66E-03 4.24 0.00 25.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -104 Cs-CsCsHH CsJ-CtHH 300-1500 2.19E-02 4.24 0.00 13.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -105 Cs-CsCsHH CsJ-CtCsH 300-1500 5.18E-03 4.24 0.00 14.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -106 Cs-CsCsHH CsJ-CtCsCs 300-1500 2.09E-03 4.24 0.00 14.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -107 Cs-CsCsHH CsJ-CtCtH 300-1500 2.20E-02 4.24 0.00 19.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -108 Cs-CsCsHH CsJ-CtCtCs 300-1500 6.15E-04 4.24 0.00 20.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -109 Cs-CsCsHH CsJ-CbHH 300-1500 4.70E-02 4.24 0.00 14.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -110 Cs-CsCsHH CsJ-CbCsH 300-1500 1.37E-02 4.24 0.00 15.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -111 Cs-CsCsHH CsJ-CbCsCs 300-1500 3.72E-04 4.24 0.00 14.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -112 Cs-CsCsHH CdsJ-H 300-1500 4.55E-02 4.24 0.00 1.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -113 Cs-CsCsHH CdsJ-Cs 300-1500 2.56E-02 4.24 0.00 2.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -114 Cs-CsCsHH CdsJ-Cd 300-1500 2.15E-02 4.24 0.00 9.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -115 Cs-CsCsHH CbJ 300-1500 5.41E-02 4.24 0.00 -1.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -116 Cs-CsCsHH CdsJ-Ct 300-1500 4.61E-03 4.24 0.00 6.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -117 Cs-CsCsHH CsJ-SsHH 300-1500 1.56E-02 4.24 0.00 11.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -118 Cs-CsCsHH CsJ-SsCsH 300-1500 2.79E-02 4.24 0.00 11.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -119 Cs-CsCsHH CsJ-SsCsCs 300-1500 1.12E-02 4.24 0.00 11.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -120 Cs-CsCsHH CdsJ-Ss 300-1500 9.33E-02 4.24 0.00 3.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -121 Cs-CsCsHH CsJ-CdSsH 300-1500 1.54E-01 4.24 0.00 22.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -122 Cs-CsCsHH CsJ-CdSsCs 300-1500 1.95E-02 4.24 0.00 22.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -123 Cs-CsCsHH CsJ-CtSsH 300-1500 9.15E-02 4.24 0.00 21.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -124 Cs-CsCsHH CsJ-CtSsCs 300-1500 3.74E-01 4.24 0.00 21.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -125 Cs-CsCsCsH HJ 300-1500 1.01E+00 4.24 0.00 2.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -126 Cs-CsCsCsH CsJ-HHH 300-1500 2.91E-02 4.24 0.00 4.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -127 Cs-CsCsCsH CsJ-CsHH 300-1500 2.55E-03 4.24 0.00 5.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -128 Cs-CsCsCsH CsJ-CsCsH 300-1500 2.89E-03 4.24 0.00 5.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -129 Cs-CsCsCsH CsJ-CsCsCs 300-1500 6.51E-04 4.24 0.00 4.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -130 Cs-CsCsCsH CsJ-CdHH 300-1500 2.00E-02 4.24 0.00 14.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -131 Cs-CsCsCsH CsJ-CdCsH 300-1500 6.76E-03 4.24 0.00 15.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -132 Cs-CsCsCsH CsJ-CdCsCs 300-1500 7.93E-04 4.24 0.00 15.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -133 Cs-CsCsCsH CsJ-CdCdH 300-1500 2.07E-02 4.24 0.00 21.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -134 Cs-CsCsCsH CsJ-CdCdCs 300-1500 7.89E-04 4.24 0.00 21.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -135 Cs-CsCsCsH CsJ-CtHH 300-1500 9.09E-03 4.24 0.00 10.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -136 Cs-CsCsCsH CsJ-CtCsH 300-1500 1.62E-03 4.24 0.00 11.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -137 Cs-CsCsCsH CsJ-CtCsCs 300-1500 4.94E-04 4.24 0.00 11.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -138 Cs-CsCsCsH CsJ-CtCtH 300-1500 6.29E-03 4.24 0.00 15.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -139 Cs-CsCsCsH CsJ-CtCtCs 300-1500 1.33E-04 4.24 0.00 15.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -140 Cs-CsCsCsH CsJ-CbHH 300-1500 1.95E-02 4.24 0.00 12.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -141 Cs-CsCsCsH CsJ-CbCsH 300-1500 4.30E-03 4.24 0.00 12.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -142 Cs-CsCsCsH CsJ-CbCsCs 300-1500 8.79E-05 4.24 0.00 11.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -143 Cs-CsCsCsH CdsJ-H 300-1500 2.74E-02 4.24 0.00 -0.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -144 Cs-CsCsCsH CdsJ-Cs 300-1500 1.16E-02 4.24 0.00 -0.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -145 Cs-CsCsCsH CdsJ-Cd 300-1500 1.29E-02 4.24 0.00 7.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -146 Cs-CsCsCsH CbJ 300-1500 3.26E-02 4.24 0.00 -3.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -147 Cs-CsCsCsH CdsJ-Ct 300-1500 2.78E-03 4.24 0.00 4.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -148 Cs-CsCsCsH CsJ-SsHH 300-1500 9.40E-03 4.24 0.00 9.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -149 Cs-CsCsCsH CsJ-SsCsH 300-1500 1.68E-02 4.24 0.00 9.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -150 Cs-CsCsCsH CsJ-SsCsCs 300-1500 6.77E-03 4.24 0.00 9.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -151 Cs-CsCsCsH CdsJ-Ss 300-1500 5.62E-02 4.24 0.00 1.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -152 Cs-CsCsCsH CsJ-CdSsH 300-1500 9.28E-02 4.24 0.00 20.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -153 Cs-CsCsCsH CsJ-CdSsCs 300-1500 1.17E-02 4.24 0.00 20.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -154 Cs-CsCsCsH CsJ-CtSsH 300-1500 5.52E-02 4.24 0.00 19.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -155 Cs-CsCsCsH CsJ-CtSsCs 300-1500 2.26E-01 4.24 0.00 20.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -156 Cs-CdHHH HJ 300-1500 1.50E-01 4.24 0.00 2.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -157 Cs-CdHHH CsJ-HHH 300-1500 4.33E-03 4.24 0.00 4.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -158 Cs-CdHHH CsJ-CsHH 300-1500 6.07E-04 4.24 0.00 5.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -159 Cs-CdHHH CsJ-CsCsH 300-1500 1.11E-03 4.24 0.00 5.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -160 Cs-CdHHH CsJ-CsCsCs 300-1500 4.00E-04 4.24 0.00 4.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -161 Cs-CdHHH CsJ-CdHH 300-1500 2.34E-03 4.24 0.00 13.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -162 Cs-CdHHH CsJ-CdCsH 300-1500 1.27E-03 4.24 0.00 13.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -163 Cs-CdHHH CsJ-CdCsCs 300-1500 2.39E-04 4.24 0.00 13.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -164 Cs-CdHHH CsJ-CdCdH 300-1500 1.91E-03 4.24 0.00 18.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -165 Cs-CdHHH CsJ-CdCdCs 300-1500 1.17E-04 4.24 0.00 17.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -166 Cs-CdHHH CsJ-CtHH 300-1500 1.79E-03 4.24 0.00 10.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -167 Cs-CdHHH CsJ-CtCsH 300-1500 5.12E-04 4.24 0.00 10.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -168 Cs-CdHHH CsJ-CtCsCs 300-1500 2.50E-04 4.24 0.00 10.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -169 Cs-CdHHH CsJ-CtCtH 300-1500 1.64E-03 4.24 0.00 14.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -170 Cs-CdHHH CsJ-CtCtCs 300-1500 5.54E-05 4.24 0.00 14.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -171 Cs-CdHHH CsJ-CbHH 300-1500 2.28E-03 4.24 0.00 10.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -172 Cs-CdHHH CsJ-CbCsH 300-1500 8.07E-04 4.24 0.00 10.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -173 Cs-CdHHH CsJ-CbCsCs 300-1500 2.65E-05 4.24 0.00 9.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -174 Cs-CdHHH CdsJ-H 300-1500 4.08E-03 4.24 0.00 0.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -175 Cs-CdHHH CdsJ-Cs 300-1500 2.78E-03 4.24 0.00 0.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -176 Cs-CdHHH CdsJ-Cd 300-1500 1.92E-03 4.24 0.00 7.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -177 Cs-CdHHH CbJ 300-1500 4.84E-03 4.24 0.00 -2.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -178 Cs-CdHHH CdsJ-Ct 300-1500 4.13E-04 4.24 0.00 5.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -179 Cs-CdHHH CsJ-SsHH 300-1500 1.40E-03 4.24 0.00 10.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -180 Cs-CdHHH CsJ-SsCsH 300-1500 2.50E-03 4.24 0.00 10.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -181 Cs-CdHHH CsJ-SsCsCs 300-1500 1.01E-03 4.24 0.00 9.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -182 Cs-CdHHH CdsJ-Ss 300-1500 8.35E-03 4.24 0.00 2.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -183 Cs-CdHHH CsJ-CdSsH 300-1500 1.38E-02 4.24 0.00 21.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -184 Cs-CdHHH CsJ-CdSsCs 300-1500 1.74E-03 4.24 0.00 21.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -185 Cs-CdHHH CsJ-CtSsH 300-1500 8.20E-03 4.24 0.00 19.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -186 Cs-CdHHH CsJ-CtSsCs 300-1500 3.35E-02 4.24 0.00 20.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -187 Cs-CdCsHH HJ 300-1500 5.94E-01 4.24 0.00 1.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -188 Cs-CdCsHH CsJ-HHH 300-1500 1.72E-02 4.24 0.00 3.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -189 Cs-CdCsHH CsJ-CsHH 300-1500 1.82E-03 4.24 0.00 3.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -190 Cs-CdCsHH CsJ-CsCsH 300-1500 2.50E-03 4.24 0.00 3.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -191 Cs-CdCsHH CsJ-CsCsCs 300-1500 6.81E-04 4.24 0.00 2.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -192 Cs-CdCsHH CsJ-CdHH 300-1500 6.39E-03 4.24 0.00 10.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -193 Cs-CdCsHH CsJ-CdCsH 300-1500 2.62E-03 4.24 0.00 11.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -194 Cs-CdCsHH CsJ-CdCsCs 300-1500 3.71E-04 4.24 0.00 10.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -195 Cs-CdCsHH CsJ-CdCdH 300-1500 3.59E-03 4.24 0.00 15.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -196 Cs-CdCsHH CsJ-CdCdCs 300-1500 1.65E-04 4.24 0.00 14.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -197 Cs-CdCsHH CsJ-CtHH 300-1500 4.89E-03 4.24 0.00 7.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -198 Cs-CdCsHH CsJ-CtCsH 300-1500 1.06E-03 4.24 0.00 8.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -199 Cs-CdCsHH CsJ-CtCsCs 300-1500 3.89E-04 4.24 0.00 7.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -200 Cs-CdCsHH CsJ-CtCtH 300-1500 3.08E-03 4.24 0.00 11.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -201 Cs-CdCsHH CsJ-CtCtCs 300-1500 7.87E-05 4.24 0.00 11.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -202 Cs-CdCsHH CsJ-CbHH 300-1500 6.24E-03 4.24 0.00 8.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -203 Cs-CdCsHH CsJ-CbCsH 300-1500 1.66E-03 4.24 0.00 8.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -204 Cs-CdCsHH CsJ-CbCsCs 300-1500 4.12E-05 4.24 0.00 6.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -205 Cs-CdCsHH CdsJ-H 300-1500 1.62E-02 4.24 0.00 -1.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -206 Cs-CdCsHH CdsJ-Cs 300-1500 8.31E-03 4.24 0.00 -1.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -207 Cs-CdCsHH CdsJ-Cd 300-1500 7.64E-03 4.24 0.00 6.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -208 Cs-CdCsHH CbJ 300-1500 1.92E-02 4.24 0.00 -3.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -209 Cs-CdCsHH CdsJ-Ct 300-1500 1.64E-03 4.24 0.00 3.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -210 Cs-CdCsHH CsJ-SsHH 300-1500 5.55E-03 4.24 0.00 8.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -211 Cs-CdCsHH CsJ-SsCsH 300-1500 9.91E-03 4.24 0.00 8.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -212 Cs-CdCsHH CsJ-SsCsCs 300-1500 4.00E-03 4.24 0.00 8.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -213 Cs-CdCsHH CdsJ-Ss 300-1500 3.32E-02 4.24 0.00 1.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -214 Cs-CdCsHH CsJ-CdSsH 300-1500 5.47E-02 4.24 0.00 20.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -215 Cs-CdCsHH CsJ-CdSsCs 300-1500 6.92E-03 4.24 0.00 20.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -216 Cs-CdCsHH CsJ-CtSsH 300-1500 3.25E-02 4.24 0.00 18.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -217 Cs-CdCsHH CsJ-CtSsCs 300-1500 1.33E-01 4.24 0.00 19.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -218 Cs-CdCsCsH HJ 300-1500 6.40E-01 4.24 0.00 0.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -219 Cs-CdCsCsH CsJ-HHH 300-1500 1.85E-02 4.24 0.00 2.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -220 Cs-CdCsCsH CsJ-CsHH 300-1500 1.48E-03 4.24 0.00 2.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -221 Cs-CdCsCsH CsJ-CsCsH 300-1500 1.53E-03 4.24 0.00 1.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -222 Cs-CdCsCsH CsJ-CsCsCs 300-1500 3.15E-04 4.24 0.00 0.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -223 Cs-CdCsCsH CsJ-CdHH 300-1500 4.74E-03 4.24 0.00 8.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -224 Cs-CdCsCsH CsJ-CdCsH 300-1500 1.46E-03 4.24 0.00 9.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -225 Cs-CdCsCsH CsJ-CdCsCs 300-1500 1.57E-04 4.24 0.00 8.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -226 Cs-CdCsCsH CsJ-CdCdH 300-1500 1.83E-03 4.24 0.00 12.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -227 Cs-CdCsCsH CsJ-CdCdCs 300-1500 6.37E-05 4.24 0.00 11.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -228 Cs-CdCsCsH CsJ-CtHH 300-1500 3.62E-03 4.24 0.00 5.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -229 Cs-CdCsCsH CsJ-CtCsH 300-1500 5.90E-04 4.24 0.00 5.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -230 Cs-CdCsCsH CsJ-CtCsCs 300-1500 1.64E-04 4.24 0.00 5.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -231 Cs-CdCsCsH CsJ-CtCtH 300-1500 1.57E-03 4.24 0.00 8.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -232 Cs-CdCsCsH CsJ-CtCtCs 300-1500 3.03E-05 4.24 0.00 7.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -233 Cs-CdCsCsH CsJ-CbHH 300-1500 4.62E-03 4.24 0.00 6.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -234 Cs-CdCsCsH CsJ-CbCsH 300-1500 9.31E-04 4.24 0.00 5.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -235 Cs-CdCsCsH CsJ-CbCsCs 300-1500 1.74E-05 4.24 0.00 4.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -236 Cs-CdCsCsH CdsJ-H 300-1500 1.74E-02 4.24 0.00 -2.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -237 Cs-CdCsCsH CdsJ-Cs 300-1500 6.75E-03 4.24 0.00 -2.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -238 Cs-CdCsCsH CdsJ-Cd 300-1500 8.23E-03 4.24 0.00 5.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -239 Cs-CdCsCsH CbJ 300-1500 2.07E-02 4.24 0.00 -4.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -240 Cs-CdCsCsH CdsJ-Ct 300-1500 1.76E-03 4.24 0.00 2.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -241 Cs-CdCsCsH CsJ-SsHH 300-1500 5.97E-03 4.24 0.00 7.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -242 Cs-CdCsCsH CsJ-SsCsH 300-1500 1.07E-02 4.24 0.00 7.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -243 Cs-CdCsCsH CsJ-SsCsCs 300-1500 4.30E-03 4.24 0.00 7.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -244 Cs-CdCsCsH CdsJ-Ss 300-1500 3.57E-02 4.24 0.00 -0.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -245 Cs-CdCsCsH CsJ-CdSsH 300-1500 5.89E-02 4.24 0.00 18.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -246 Cs-CdCsCsH CsJ-CdSsCs 300-1500 7.45E-03 4.24 0.00 18.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -247 Cs-CdCsCsH CsJ-CtSsH 300-1500 3.50E-02 4.24 0.00 17.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -248 Cs-CdCsCsH CsJ-CtSsCs 300-1500 1.43E-01 4.24 0.00 18.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -249 Cs-CdCdHH HJ 300-1500 8.07E-01 4.24 0.00 -0.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -250 Cs-CdCdHH CsJ-HHH 300-1500 2.33E-02 4.24 0.00 1.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -251 Cs-CdCdHH CsJ-CsHH 300-1500 2.26E-03 4.24 0.00 1.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -252 Cs-CdCdHH CsJ-CsCsH 300-1500 2.83E-03 4.24 0.00 0.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -253 Cs-CdCdHH CsJ-CsCsCs 300-1500 7.04E-04 4.24 0.00 -1.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -254 Cs-CdCdHH CsJ-CdHH 300-1500 3.24E-03 4.24 0.00 5.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -255 Cs-CdCdHH CsJ-CdCsH 300-1500 1.21E-03 4.24 0.00 5.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -256 Cs-CdCdHH CsJ-CdCsCs 300-1500 1.57E-04 4.24 0.00 3.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -257 Cs-CdCdHH CsJ-CdCdH 300-1500 6.78E-04 4.24 0.00 6.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -258 Cs-CdCdHH CsJ-CdCdCs 300-1500 2.86E-05 4.24 0.00 4.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -259 Cs-CdCdHH CsJ-CtHH 300-1500 4.17E-03 4.24 0.00 3.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -260 Cs-CdCdHH CsJ-CtCsH 300-1500 8.22E-04 4.24 0.00 3.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -261 Cs-CdCdHH CsJ-CtCsCs 300-1500 2.76E-04 4.24 0.00 1.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -262 Cs-CdCdHH CsJ-CtCtH 300-1500 1.65E-03 4.24 0.00 4.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -263 Cs-CdCdHH CsJ-CtCtCs 300-1500 3.84E-05 4.24 0.00 3.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -264 Cs-CdCdHH CsJ-CbHH 300-1500 3.16E-03 4.24 0.00 3.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -265 Cs-CdCdHH CsJ-CbCsH 300-1500 7.70E-04 4.24 0.00 2.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -266 Cs-CdCdHH CsJ-CbCsCs 300-1500 1.74E-05 4.24 0.00 -0.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -267 Cs-CdCdHH CdsJ-H 300-1500 2.20E-02 4.24 0.00 -2.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -268 Cs-CdCdHH CdsJ-Cs 300-1500 1.03E-02 4.24 0.00 -3.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -269 Cs-CdCdHH CdsJ-Cd 300-1500 1.04E-02 4.24 0.00 5.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -270 Cs-CdCdHH CbJ 300-1500 2.61E-02 4.24 0.00 -5.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -271 Cs-CdCdHH CdsJ-Ct 300-1500 2.23E-03 4.24 0.00 2.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -272 Cs-CdCdHH CsJ-SsHH 300-1500 7.54E-03 4.24 0.00 7.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -273 Cs-CdCdHH CsJ-SsCsH 300-1500 1.35E-02 4.24 0.00 7.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -274 Cs-CdCdHH CsJ-SsCsCs 300-1500 5.43E-03 4.24 0.00 7.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -275 Cs-CdCdHH CdsJ-Ss 300-1500 4.50E-02 4.24 0.00 -0.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -276 Cs-CdCdHH CsJ-CdSsH 300-1500 7.44E-02 4.24 0.00 18.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -277 Cs-CdCdHH CsJ-CdSsCs 300-1500 9.40E-03 4.24 0.00 18.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -278 Cs-CdCdHH CsJ-CtSsH 300-1500 4.42E-02 4.24 0.00 16.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -279 Cs-CdCdHH CsJ-CtSsCs 300-1500 1.81E-01 4.24 0.00 17.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -280 Cs-CdCdCsH HJ 300-1500 6.50E-01 4.24 0.00 -1.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -281 Cs-CdCdCsH CsJ-HHH 300-1500 1.88E-02 4.24 0.00 0.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -282 Cs-CdCdCsH CsJ-CsHH 300-1500 1.37E-03 4.24 0.00 0.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -283 Cs-CdCdCsH CsJ-CsCsH 300-1500 1.29E-03 4.24 0.00 -1.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -284 Cs-CdCdCsH CsJ-CsCsCs 300-1500 2.43E-04 4.24 0.00 -3.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -285 Cs-CdCdCsH CsJ-CdHH 300-1500 1.80E-03 4.24 0.00 3.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -286 Cs-CdCdCsH CsJ-CdCsH 300-1500 5.06E-04 4.24 0.00 3.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -287 Cs-CdCdCsH CsJ-CdCsCs 300-1500 4.95E-05 4.24 0.00 1.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -288 Cs-CdCdCsH CsJ-CdCdH 300-1500 2.59E-04 4.24 0.00 3.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -289 Cs-CdCdCsH CsJ-CdCdCs 300-1500 8.22E-06 4.24 0.00 1.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -290 Cs-CdCdCsH CsJ-CtHH 300-1500 2.31E-03 4.24 0.00 1.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -291 Cs-CdCdCsH CsJ-CtCsH 300-1500 3.43E-04 4.24 0.00 0.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -292 Cs-CdCdCsH CsJ-CtCsCs 300-1500 8.72E-05 4.24 0.00 -0.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -293 Cs-CdCdCsH CsJ-CtCtH 300-1500 6.29E-04 4.24 0.00 1.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -294 Cs-CdCdCsH CsJ-CtCtCs 300-1500 1.11E-05 4.24 0.00 -0.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -295 Cs-CdCdCsH CsJ-CbHH 300-1500 1.75E-03 4.24 0.00 1.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -296 Cs-CdCdCsH CsJ-CbCsH 300-1500 3.22E-04 4.24 0.00 0.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -297 Cs-CdCdCsH CsJ-CbCsCs 300-1500 5.49E-06 4.24 0.00 -2.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -298 Cs-CdCdCsH CdsJ-H 300-1500 1.77E-02 4.24 0.00 -3.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -299 Cs-CdCdCsH CdsJ-Cs 300-1500 6.26E-03 4.24 0.00 -5.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -300 Cs-CdCdCsH CdsJ-Cd 300-1500 8.35E-03 4.24 0.00 4.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -301 Cs-CdCdCsH CbJ 300-1500 2.10E-02 4.24 0.00 -6.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -302 Cs-CdCdCsH CdsJ-Ct 300-1500 1.79E-03 4.24 0.00 1.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -303 Cs-CdCdCsH CsJ-SsHH 300-1500 6.07E-03 4.24 0.00 6.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -304 Cs-CdCdCsH CsJ-SsCsH 300-1500 1.08E-02 4.24 0.00 6.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -305 Cs-CdCdCsH CsJ-SsCsCs 300-1500 4.37E-03 4.24 0.00 5.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -306 Cs-CdCdCsH CdsJ-Ss 300-1500 3.63E-02 4.24 0.00 -1.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -307 Cs-CdCdCsH CsJ-CdSsH 300-1500 5.98E-02 4.24 0.00 17.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -308 Cs-CdCdCsH CsJ-CdSsCs 300-1500 7.56E-03 4.24 0.00 17.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -309 Cs-CdCdCsH CsJ-CtSsH 300-1500 3.56E-02 4.24 0.00 15.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -310 Cs-CdCdCsH CsJ-CtSsCs 300-1500 1.45E-01 4.24 0.00 16.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -311 Cs-CtHHH HJ 300-1500 4.15E-01 4.24 0.00 3.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -312 Cs-CtHHH CsJ-HHH 300-1500 1.20E-02 4.24 0.00 5.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -313 Cs-CtHHH CsJ-CsHH 300-1500 1.69E-03 4.24 0.00 5.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -314 Cs-CtHHH CsJ-CsCsH 300-1500 3.07E-03 4.24 0.00 5.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -315 Cs-CtHHH CsJ-CsCsCs 300-1500 1.11E-03 4.24 0.00 4.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -316 Cs-CtHHH CsJ-CdHH 300-1500 1.09E-02 4.24 0.00 14.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -317 Cs-CtHHH CsJ-CdCsH 300-1500 5.92E-03 4.24 0.00 15.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -318 Cs-CtHHH CsJ-CdCsCs 300-1500 1.11E-03 4.24 0.00 14.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -319 Cs-CtHHH CsJ-CdCdH 300-1500 1.50E-02 4.24 0.00 20.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -320 Cs-CtHHH CsJ-CdCdCs 300-1500 9.14E-04 4.24 0.00 20.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -321 Cs-CtHHH CsJ-CtHH 300-1500 8.34E-03 4.24 0.00 11.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -322 Cs-CtHHH CsJ-CtCsH 300-1500 2.39E-03 4.24 0.00 12.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -323 Cs-CtHHH CsJ-CtCsCs 300-1500 1.17E-03 4.24 0.00 12.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -324 Cs-CtHHH CsJ-CtCtH 300-1500 1.28E-02 4.24 0.00 16.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -325 Cs-CtHHH CsJ-CtCtCs 300-1500 4.35E-04 4.24 0.00 16.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -326 Cs-CtHHH CsJ-CbHH 300-1500 1.06E-02 4.24 0.00 12.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -327 Cs-CtHHH CsJ-CbCsH 300-1500 3.77E-03 4.24 0.00 12.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -328 Cs-CtHHH CsJ-CbCsCs 300-1500 1.24E-04 4.24 0.00 10.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -329 Cs-CtHHH CdsJ-H 300-1500 1.13E-02 4.24 0.00 0.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -330 Cs-CtHHH CdsJ-Cs 300-1500 7.70E-03 4.24 0.00 0.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -331 Cs-CtHHH CdsJ-Cd 300-1500 5.34E-03 4.24 0.00 8.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -332 Cs-CtHHH CbJ 300-1500 1.34E-02 4.24 0.00 -1.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -333 Cs-CtHHH CdsJ-Ct 300-1500 1.15E-03 4.24 0.00 5.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -334 Cs-CtHHH CsJ-SsHH 300-1500 3.88E-03 4.24 0.00 10.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -335 Cs-CtHHH CsJ-SsCsH 300-1500 6.93E-03 4.24 0.00 10.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -336 Cs-CtHHH CsJ-SsCsCs 300-1500 2.79E-03 4.24 0.00 10.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -337 Cs-CtHHH CdsJ-Ss 300-1500 2.32E-02 4.24 0.00 2.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -338 Cs-CtHHH CsJ-CdSsH 300-1500 3.83E-02 4.24 0.00 21.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -339 Cs-CtHHH CsJ-CdSsCs 300-1500 4.83E-03 4.24 0.00 21.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -340 Cs-CtHHH CsJ-CtSsH 300-1500 2.27E-02 4.24 0.00 20.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -341 Cs-CtHHH CsJ-CtSsCs 300-1500 9.30E-02 4.24 0.00 21.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -342 Cs-CtCsHH HJ 300-1500 5.67E-01 4.24 0.00 1.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -343 Cs-CtCsHH CsJ-HHH 300-1500 1.64E-02 4.24 0.00 3.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -344 Cs-CtCsHH CsJ-CsHH 300-1500 1.74E-03 4.24 0.00 4.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -345 Cs-CtCsHH CsJ-CsCsH 300-1500 2.38E-03 4.24 0.00 3.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -346 Cs-CtCsHH CsJ-CsCsCs 300-1500 6.50E-04 4.24 0.00 2.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -347 Cs-CtCsHH CsJ-CdHH 300-1500 1.03E-02 4.24 0.00 12.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -348 Cs-CtCsHH CsJ-CdCsH 300-1500 4.20E-03 4.24 0.00 12.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -349 Cs-CtCsHH CsJ-CdCsCs 300-1500 5.96E-04 4.24 0.00 11.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -350 Cs-CtCsHH CsJ-CdCdH 300-1500 9.68E-03 4.24 0.00 17.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -351 Cs-CtCsHH CsJ-CdCdCs 300-1500 4.47E-04 4.24 0.00 16.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -352 Cs-CtCsHH CsJ-CtHH 300-1500 7.85E-03 4.24 0.00 9.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -353 Cs-CtCsHH CsJ-CtCsH 300-1500 1.70E-03 4.24 0.00 9.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -354 Cs-CtCsHH CsJ-CtCsCs 300-1500 6.25E-04 4.24 0.00 9.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -355 Cs-CtCsHH CsJ-CtCtH 300-1500 8.32E-03 4.24 0.00 13.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -356 Cs-CtCsHH CsJ-CtCtCs 300-1500 2.12E-04 4.24 0.00 13.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -357 Cs-CtCsHH CsJ-CbHH 300-1500 1.00E-02 4.24 0.00 9.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -358 Cs-CtCsHH CsJ-CbCsH 300-1500 2.67E-03 4.24 0.00 9.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -359 Cs-CtCsHH CsJ-CbCsCs 300-1500 6.61E-05 4.24 0.00 7.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -360 Cs-CtCsHH CdsJ-H 300-1500 1.55E-02 4.24 0.00 -0.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -361 Cs-CtCsHH CdsJ-Cs 300-1500 7.94E-03 4.24 0.00 -1.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -362 Cs-CtCsHH CdsJ-Cd 300-1500 7.29E-03 4.24 0.00 7.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -363 Cs-CtCsHH CbJ 300-1500 1.84E-02 4.24 0.00 -3.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -364 Cs-CtCsHH CdsJ-Ct 300-1500 1.56E-03 4.24 0.00 4.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -365 Cs-CtCsHH CsJ-SsHH 300-1500 5.30E-03 4.24 0.00 9.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -366 Cs-CtCsHH CsJ-SsCsH 300-1500 9.46E-03 4.24 0.00 9.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -367 Cs-CtCsHH CsJ-SsCsCs 300-1500 3.82E-03 4.24 0.00 9.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -368 Cs-CtCsHH CdsJ-Ss 300-1500 3.17E-02 4.24 0.00 1.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -369 Cs-CtCsHH CsJ-CdSsH 300-1500 5.23E-02 4.24 0.00 20.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -370 Cs-CtCsHH CsJ-CdSsCs 300-1500 6.60E-03 4.24 0.00 20.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -371 Cs-CtCsHH CsJ-CtSsH 300-1500 3.11E-02 4.24 0.00 18.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -372 Cs-CtCsHH CsJ-CtSsCs 300-1500 1.27E-01 4.24 0.00 19.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -373 Cs-CtCsCsH HJ 300-1500 1.01E+00 4.24 0.00 0.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -374 Cs-CtCsCsH CsJ-HHH 300-1500 2.93E-02 4.24 0.00 2.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -375 Cs-CtCsCsH CsJ-CsHH 300-1500 2.34E-03 4.24 0.00 2.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -376 Cs-CtCsCsH CsJ-CsCsH 300-1500 2.42E-03 4.24 0.00 1.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -377 Cs-CtCsCsH CsJ-CsCsCs 300-1500 4.99E-04 4.24 0.00 0.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -378 Cs-CtCsCsH CsJ-CdHH 300-1500 1.26E-02 4.24 0.00 9.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -379 Cs-CtCsCsH CsJ-CdCsH 300-1500 3.90E-03 4.24 0.00 10.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -380 Cs-CtCsCsH CsJ-CdCsCs 300-1500 4.18E-04 4.24 0.00 9.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -381 Cs-CtCsCsH CsJ-CdCdH 300-1500 8.21E-03 4.24 0.00 13.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -382 Cs-CtCsCsH CsJ-CdCdCs 300-1500 2.86E-04 4.24 0.00 13.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -383 Cs-CtCsCsH CsJ-CtHH 300-1500 9.66E-03 4.24 0.00 6.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -384 Cs-CtCsCsH CsJ-CtCsH 300-1500 1.57E-03 4.24 0.00 6.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -385 Cs-CtCsCsH CsJ-CtCsCs 300-1500 4.37E-04 4.24 0.00 6.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -386 Cs-CtCsCsH CsJ-CtCtH 300-1500 7.05E-03 4.24 0.00 9.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -387 Cs-CtCsCsH CsJ-CtCtCs 300-1500 1.36E-04 4.24 0.00 9.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -388 Cs-CtCsCsH CsJ-CbHH 300-1500 1.23E-02 4.24 0.00 7.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -389 Cs-CtCsCsH CsJ-CbCsH 300-1500 2.48E-03 4.24 0.00 6.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -390 Cs-CtCsCsH CsJ-CbCsCs 300-1500 4.63E-05 4.24 0.00 5.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -391 Cs-CtCsCsH CdsJ-H 300-1500 2.76E-02 4.24 0.00 -2.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -392 Cs-CtCsCsH CdsJ-Cs 300-1500 1.07E-02 4.24 0.00 -2.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -393 Cs-CtCsCsH CdsJ-Cd 300-1500 1.30E-02 4.24 0.00 5.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -394 Cs-CtCsCsH CbJ 300-1500 3.28E-02 4.24 0.00 -4.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -395 Cs-CtCsCsH CdsJ-Ct 300-1500 2.80E-03 4.24 0.00 2.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -396 Cs-CtCsCsH CsJ-SsHH 300-1500 9.47E-03 4.24 0.00 7.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -397 Cs-CtCsCsH CsJ-SsCsH 300-1500 1.69E-02 4.24 0.00 7.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -398 Cs-CtCsCsH CsJ-SsCsCs 300-1500 6.82E-03 4.24 0.00 7.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -399 Cs-CtCsCsH CdsJ-Ss 300-1500 5.66E-02 4.24 0.00 0.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -400 Cs-CtCsCsH CsJ-CdSsH 300-1500 9.34E-02 4.24 0.00 18.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -401 Cs-CtCsCsH CsJ-CdSsCs 300-1500 1.18E-02 4.24 0.00 18.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -402 Cs-CtCsCsH CsJ-CtSsH 300-1500 5.55E-02 4.24 0.00 17.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -403 Cs-CtCsCsH CsJ-CtSsCs 300-1500 2.27E-01 4.24 0.00 18.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -404 Cs-CtCtHH HJ 300-1500 7.22E-01 4.24 0.00 -0.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -405 Cs-CtCtHH CsJ-HHH 300-1500 2.09E-02 4.24 0.00 2.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -406 Cs-CtCtHH CsJ-CsHH 300-1500 2.02E-03 4.24 0.00 1.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -407 Cs-CtCtHH CsJ-CsCsH 300-1500 2.53E-03 4.24 0.00 0.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -408 Cs-CtCtHH CsJ-CsCsCs 300-1500 6.30E-04 4.24 0.00 -1.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -409 Cs-CtCtHH CsJ-CdHH 300-1500 8.20E-03 4.24 0.00 7.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -410 Cs-CtCtHH CsJ-CdCsH 300-1500 3.06E-03 4.24 0.00 7.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -411 Cs-CtCtHH CsJ-CdCsCs 300-1500 3.97E-04 4.24 0.00 5.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -412 Cs-CtCtHH CsJ-CdCdH 300-1500 4.85E-03 4.24 0.00 9.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -413 Cs-CtCtHH CsJ-CdCdCs 300-1500 2.04E-04 4.24 0.00 8.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -414 Cs-CtCtHH CsJ-CtHH 300-1500 1.05E-02 4.24 0.00 5.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -415 Cs-CtCtHH CsJ-CtCsH 300-1500 2.08E-03 4.24 0.00 4.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -416 Cs-CtCtHH CsJ-CtCsCs 300-1500 6.99E-04 4.24 0.00 3.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -417 Cs-CtCtHH CsJ-CtCtH 300-1500 1.18E-02 4.24 0.00 7.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -418 Cs-CtCtHH CsJ-CtCtCs 300-1500 2.75E-04 4.24 0.00 6.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -419 Cs-CtCtHH CsJ-CbHH 300-1500 8.00E-03 4.24 0.00 5.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -420 Cs-CtCtHH CsJ-CbCsH 300-1500 1.95E-03 4.24 0.00 4.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -421 Cs-CtCtHH CsJ-CbCsCs 300-1500 4.40E-05 4.24 0.00 1.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -422 Cs-CtCtHH CdsJ-H 300-1500 1.97E-02 4.24 0.00 -2.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -423 Cs-CtCtHH CdsJ-Cs 300-1500 9.22E-03 4.24 0.00 -3.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -424 Cs-CtCtHH CdsJ-Cd 300-1500 9.28E-03 4.24 0.00 5.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -425 Cs-CtCtHH CbJ 300-1500 2.34E-02 4.24 0.00 -5.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -426 Cs-CtCtHH CdsJ-Ct 300-1500 1.99E-03 4.24 0.00 2.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -427 Cs-CtCtHH CsJ-SsHH 300-1500 6.74E-03 4.24 0.00 7.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -428 Cs-CtCtHH CsJ-SsCsH 300-1500 1.20E-02 4.24 0.00 7.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -429 Cs-CtCtHH CsJ-SsCsCs 300-1500 4.86E-03 4.24 0.00 7.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -430 Cs-CtCtHH CdsJ-Ss 300-1500 4.03E-02 4.24 0.00 -0.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -431 Cs-CtCtHH CsJ-CdSsH 300-1500 6.65E-02 4.24 0.00 18.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -432 Cs-CtCtHH CsJ-CdSsCs 300-1500 8.40E-03 4.24 0.00 18.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -433 Cs-CtCtHH CsJ-CtSsH 300-1500 3.95E-02 4.24 0.00 17.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -434 Cs-CtCtHH CsJ-CtSsCs 300-1500 1.62E-01 4.24 0.00 17.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -435 Cs-CtCtCsH HJ 300-1500 7.96E-01 4.24 0.00 -1.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -436 Cs-CtCtCsH CsJ-HHH 300-1500 2.30E-02 4.24 0.00 0.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -437 Cs-CtCtCsH CsJ-CsHH 300-1500 1.68E-03 4.24 0.00 0.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -438 Cs-CtCtCsH CsJ-CsCsH 300-1500 1.59E-03 4.24 0.00 -1.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -439 Cs-CtCtCsH CsJ-CsCsCs 300-1500 2.98E-04 4.24 0.00 -3.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -440 Cs-CtCtCsH CsJ-CdHH 300-1500 6.22E-03 4.24 0.00 5.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -441 Cs-CtCtCsH CsJ-CdCsH 300-1500 1.75E-03 4.24 0.00 4.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -442 Cs-CtCtCsH CsJ-CdCsCs 300-1500 1.71E-04 4.24 0.00 3.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -443 Cs-CtCtCsH CsJ-CdCdH 300-1500 2.54E-03 4.24 0.00 6.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -444 Cs-CtCtCsH CsJ-CdCdCs 300-1500 8.06E-05 4.24 0.00 5.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -445 Cs-CtCtCsH CsJ-CtHH 300-1500 8.00E-03 4.24 0.00 3.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -446 Cs-CtCtCsH CsJ-CtCsH 300-1500 1.19E-03 4.24 0.00 2.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -447 Cs-CtCtCsH CsJ-CtCsCs 300-1500 3.02E-04 4.24 0.00 1.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -448 Cs-CtCtCsH CsJ-CtCtH 300-1500 6.16E-03 4.24 0.00 4.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -449 Cs-CtCtCsH CsJ-CtCtCs 300-1500 1.08E-04 4.24 0.00 3.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -450 Cs-CtCtCsH CsJ-CbHH 300-1500 6.07E-03 4.24 0.00 3.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -451 Cs-CtCtCsH CsJ-CbCsH 300-1500 1.12E-03 4.24 0.00 1.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -452 Cs-CtCtCsH CsJ-CbCsCs 300-1500 1.90E-05 4.24 0.00 -0.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -453 Cs-CtCtCsH CdsJ-H 300-1500 2.17E-02 4.24 0.00 -3.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -454 Cs-CtCtCsH CdsJ-Cs 300-1500 7.67E-03 4.24 0.00 -5.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -455 Cs-CtCtCsH CdsJ-Cd 300-1500 1.02E-02 4.24 0.00 4.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -456 Cs-CtCtCsH CbJ 300-1500 2.58E-02 4.24 0.00 -6.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -457 Cs-CtCtCsH CdsJ-Ct 300-1500 2.19E-03 4.24 0.00 1.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -458 Cs-CtCtCsH CsJ-SsHH 300-1500 7.43E-03 4.24 0.00 6.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -459 Cs-CtCtCsH CsJ-SsCsH 300-1500 1.33E-02 4.24 0.00 6.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -460 Cs-CtCtCsH CsJ-SsCsCs 300-1500 5.35E-03 4.24 0.00 6.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -461 Cs-CtCtCsH CdsJ-Ss 300-1500 4.44E-02 4.24 0.00 -1.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -462 Cs-CtCtCsH CsJ-CdSsH 300-1500 7.33E-02 4.24 0.00 17.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -463 Cs-CtCtCsH CsJ-CdSsCs 300-1500 9.26E-03 4.24 0.00 17.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -464 Cs-CtCtCsH CsJ-CtSsH 300-1500 4.36E-02 4.24 0.00 15.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -465 Cs-CtCtCsH CsJ-CtSsCs 300-1500 1.78E-01 4.24 0.00 16.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -466 Cs-CbHHH HJ 300-1500 1.34E-01 4.24 0.00 4.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -467 Cs-CbHHH CsJ-HHH 300-1500 3.86E-03 4.24 0.00 6.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -468 Cs-CbHHH CsJ-CsHH 300-1500 5.42E-04 4.24 0.00 7.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -469 Cs-CbHHH CsJ-CsCsH 300-1500 9.86E-04 4.24 0.00 7.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -470 Cs-CbHHH CsJ-CsCsCs 300-1500 3.57E-04 4.24 0.00 6.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -471 Cs-CbHHH CsJ-CdHH 300-1500 2.09E-03 4.24 0.00 14.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -472 Cs-CbHHH CsJ-CdCsH 300-1500 1.13E-03 4.24 0.00 15.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -473 Cs-CbHHH CsJ-CdCsCs 300-1500 2.13E-04 4.24 0.00 15.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -474 Cs-CbHHH CsJ-CdCdH 300-1500 1.70E-03 4.24 0.00 20.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -475 Cs-CbHHH CsJ-CdCdCs 300-1500 1.04E-04 4.24 0.00 19.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -476 Cs-CbHHH CsJ-CtHH 300-1500 1.60E-03 4.24 0.00 12.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -477 Cs-CbHHH CsJ-CtCsH 300-1500 4.57E-04 4.24 0.00 12.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -478 Cs-CbHHH CsJ-CtCsCs 300-1500 2.23E-04 4.24 0.00 12.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -479 Cs-CbHHH CsJ-CtCtH 300-1500 1.46E-03 4.24 0.00 16.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -480 Cs-CbHHH CsJ-CtCtCs 300-1500 4.94E-05 4.24 0.00 16.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -481 Cs-CbHHH CsJ-CbHH 300-1500 2.03E-03 4.24 0.00 12.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -482 Cs-CbHHH CsJ-CbCsH 300-1500 7.20E-04 4.24 0.00 12.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -483 Cs-CbHHH CsJ-CbCsCs 300-1500 2.36E-05 4.24 0.00 11.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -484 Cs-CbHHH CdsJ-H 300-1500 3.64E-03 4.24 0.00 2.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -485 Cs-CbHHH CdsJ-Cs 300-1500 2.48E-03 4.24 0.00 2.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -486 Cs-CbHHH CdsJ-Cd 300-1500 1.72E-03 4.24 0.00 9.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -487 Cs-CbHHH CbJ 300-1500 4.32E-03 4.24 0.00 -0.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -488 Cs-CbHHH CdsJ-Ct 300-1500 3.68E-04 4.24 0.00 7.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -489 Cs-CbHHH CsJ-SsHH 300-1500 1.25E-03 4.24 0.00 12.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -490 Cs-CbHHH CsJ-SsCsH 300-1500 2.23E-03 4.24 0.00 12.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -491 Cs-CbHHH CsJ-SsCsCs 300-1500 8.98E-04 4.24 0.00 11.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -492 Cs-CbHHH CdsJ-Ss 300-1500 7.45E-03 4.24 0.00 4.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -493 Cs-CbHHH CsJ-CdSsH 300-1500 1.23E-02 4.24 0.00 23.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -494 Cs-CbHHH CsJ-CdSsCs 300-1500 1.55E-03 4.24 0.00 23.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -495 Cs-CbHHH CsJ-CtSsH 300-1500 7.31E-03 4.24 0.00 21.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -496 Cs-CbHHH CsJ-CtSsCs 300-1500 2.99E-02 4.24 0.00 22.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -497 Cs-CbCsHH HJ 300-1500 1.97E-01 4.24 0.00 2.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -498 Cs-CbCsHH CsJ-HHH 300-1500 5.70E-03 4.24 0.00 4.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -499 Cs-CbCsHH CsJ-CsHH 300-1500 6.03E-04 4.24 0.00 5.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -500 Cs-CbCsHH CsJ-CsCsH 300-1500 8.28E-04 4.24 0.00 4.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -501 Cs-CbCsHH CsJ-CsCsCs 300-1500 2.26E-04 4.24 0.00 3.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -502 Cs-CbCsHH CsJ-CdHH 300-1500 2.12E-03 4.24 0.00 12.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -503 Cs-CbCsHH CsJ-CdCsH 300-1500 8.68E-04 4.24 0.00 12.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -504 Cs-CbCsHH CsJ-CdCsCs 300-1500 1.23E-04 4.24 0.00 12.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -505 Cs-CbCsHH CsJ-CdCdH 300-1500 1.19E-03 4.24 0.00 16.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -506 Cs-CbCsHH CsJ-CdCdCs 300-1500 5.49E-05 4.24 0.00 15.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -507 Cs-CbCsHH CsJ-CtHH 300-1500 1.62E-03 4.24 0.00 9.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -508 Cs-CbCsHH CsJ-CtCsH 300-1500 3.50E-04 4.24 0.00 9.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -509 Cs-CbCsHH CsJ-CtCsCs 300-1500 1.29E-04 4.24 0.00 9.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -510 Cs-CbCsHH CsJ-CtCtH 300-1500 1.02E-03 4.24 0.00 12.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -511 Cs-CbCsHH CsJ-CtCtCs 300-1500 2.61E-05 4.24 0.00 12.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -512 Cs-CbCsHH CsJ-CbHH 300-1500 2.07E-03 4.24 0.00 10.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -513 Cs-CbCsHH CsJ-CbCsH 300-1500 5.52E-04 4.24 0.00 9.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -514 Cs-CbCsHH CsJ-CbCsCs 300-1500 1.37E-05 4.24 0.00 8.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -515 Cs-CbCsHH CdsJ-H 300-1500 5.37E-03 4.24 0.00 0.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -516 Cs-CbCsHH CdsJ-Cs 300-1500 2.76E-03 4.24 0.00 0.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -517 Cs-CbCsHH CdsJ-Cd 300-1500 2.53E-03 4.24 0.00 8.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -518 Cs-CbCsHH CbJ 300-1500 6.38E-03 4.24 0.00 -2.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -519 Cs-CbCsHH CdsJ-Ct 300-1500 5.44E-04 4.24 0.00 5.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -520 Cs-CbCsHH CsJ-SsHH 300-1500 1.84E-03 4.24 0.00 10.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -521 Cs-CbCsHH CsJ-SsCsH 300-1500 3.29E-03 4.24 0.00 10.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -522 Cs-CbCsHH CsJ-SsCsCs 300-1500 1.33E-03 4.24 0.00 10.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -523 Cs-CbCsHH CdsJ-Ss 300-1500 1.10E-02 4.24 0.00 2.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -524 Cs-CbCsHH CsJ-CdSsH 300-1500 1.82E-02 4.24 0.00 21.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -525 Cs-CbCsHH CsJ-CdSsCs 300-1500 2.29E-03 4.24 0.00 21.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -526 Cs-CbCsHH CsJ-CtSsH 300-1500 1.08E-02 4.24 0.00 19.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -527 Cs-CbCsHH CsJ-CtSsCs 300-1500 4.41E-02 4.24 0.00 20.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -528 Cs-CbCsCsH HJ 300-1500 1.37E-01 4.24 0.00 1.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -529 Cs-CbCsCsH CsJ-HHH 300-1500 3.95E-03 4.24 0.00 3.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -530 Cs-CbCsCsH CsJ-CsHH 300-1500 3.15E-04 4.24 0.00 3.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -531 Cs-CbCsCsH CsJ-CsCsH 300-1500 3.26E-04 4.24 0.00 3.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -532 Cs-CbCsCsH CsJ-CsCsCs 300-1500 6.71E-05 4.24 0.00 1.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -533 Cs-CbCsCsH CsJ-CdHH 300-1500 1.01E-03 4.24 0.00 10.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -534 Cs-CbCsCsH CsJ-CdCsH 300-1500 3.12E-04 4.24 0.00 10.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -535 Cs-CbCsCsH CsJ-CdCsCs 300-1500 3.34E-05 4.24 0.00 9.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -536 Cs-CbCsCsH CsJ-CdCdH 300-1500 3.91E-04 4.24 0.00 13.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -537 Cs-CbCsCsH CsJ-CdCdCs 300-1500 1.36E-05 4.24 0.00 12.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -538 Cs-CbCsCsH CsJ-CtHH 300-1500 7.73E-04 4.24 0.00 7.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -539 Cs-CbCsCsH CsJ-CtCsH 300-1500 1.26E-04 4.24 0.00 7.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -540 Cs-CbCsCsH CsJ-CtCsCs 300-1500 3.50E-05 4.24 0.00 6.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -541 Cs-CbCsCsH CsJ-CtCtH 300-1500 3.36E-04 4.24 0.00 9.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -542 Cs-CbCsCsH CsJ-CtCtCs 300-1500 6.46E-06 4.24 0.00 9.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -543 Cs-CbCsCsH CsJ-CbHH 300-1500 9.87E-04 4.24 0.00 7.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -544 Cs-CbCsCsH CsJ-CbCsH 300-1500 1.99E-04 4.24 0.00 7.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -545 Cs-CbCsCsH CsJ-CbCsCs 300-1500 3.71E-06 4.24 0.00 5.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -546 Cs-CbCsCsH CdsJ-H 300-1500 3.72E-03 4.24 0.00 -0.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -547 Cs-CbCsCsH CdsJ-Cs 300-1500 1.44E-03 4.24 0.00 -1.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -548 Cs-CbCsCsH CdsJ-Cd 300-1500 1.76E-03 4.24 0.00 6.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -549 Cs-CbCsCsH CbJ 300-1500 4.42E-03 4.24 0.00 -3.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -550 Cs-CbCsCsH CdsJ-Ct 300-1500 3.77E-04 4.24 0.00 4.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -551 Cs-CbCsCsH CsJ-SsHH 300-1500 1.27E-03 4.24 0.00 9.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -552 Cs-CbCsCsH CsJ-SsCsH 300-1500 2.28E-03 4.24 0.00 9.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -553 Cs-CbCsCsH CsJ-SsCsCs 300-1500 9.18E-04 4.24 0.00 8.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -554 Cs-CbCsCsH CdsJ-Ss 300-1500 7.62E-03 4.24 0.00 1.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -555 Cs-CbCsCsH CsJ-CdSsH 300-1500 1.26E-02 4.24 0.00 20.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -556 Cs-CbCsCsH CsJ-CdSsCs 300-1500 1.59E-03 4.24 0.00 20.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -557 Cs-CbCsCsH CsJ-CtSsH 300-1500 7.48E-03 4.24 0.00 18.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -558 Cs-CbCsCsH CsJ-CtSsCs 300-1500 3.06E-02 4.24 0.00 19.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -559 Cds-HH HJ 300-1500 7.02E-01 4.24 0.00 8.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -560 Cds-HH CsJ-HHH 300-1500 2.03E-02 4.24 0.00 10.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -561 Cds-HH CsJ-CsHH 300-1500 4.13E-03 4.24 0.00 12.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -562 Cds-HH CsJ-CsCsH 300-1500 1.09E-02 4.24 0.00 13.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -563 Cds-HH CsJ-CsCsCs 300-1500 5.74E-03 4.24 0.00 13.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -564 Cds-HH CsJ-CdHH 300-1500 4.26E-02 4.24 0.00 23.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -565 Cds-HH CsJ-CdCsH 300-1500 3.36E-02 4.24 0.00 25.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -566 Cds-HH CsJ-CdCsCs 300-1500 9.19E-03 4.24 0.00 25.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -567 Cds-HH CsJ-CdCdH 300-1500 1.35E-01 4.24 0.00 33.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -568 Cds-HH CsJ-CdCdCs 300-1500 1.20E-02 4.24 0.00 34.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -569 Cds-HH CsJ-CtHH 300-1500 1.94E-02 4.24 0.00 19.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -570 Cds-HH CsJ-CtCsH 300-1500 8.07E-03 4.24 0.00 21.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -571 Cds-HH CsJ-CtCsCs 300-1500 5.72E-03 4.24 0.00 22.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -572 Cds-HH CsJ-CtCtH 300-1500 4.11E-02 4.24 0.00 27.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -573 Cds-HH CsJ-CtCtCs 300-1500 2.02E-03 4.24 0.00 29.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -574 Cds-HH CsJ-CbHH 300-1500 4.16E-02 4.24 0.00 21.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -575 Cds-HH CsJ-CbCsH 300-1500 2.14E-02 4.24 0.00 22.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -576 Cds-HH CsJ-CbCsCs 300-1500 1.02E-03 4.24 0.00 22.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -577 Cds-HH CdsJ-H 300-1500 1.91E-02 4.24 0.00 6.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -578 Cds-HH CdsJ-Cs 300-1500 1.89E-02 4.24 0.00 7.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -579 Cds-HH CdsJ-Cd 300-1500 9.02E-03 4.24 0.00 14.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -580 Cds-HH CbJ 300-1500 2.27E-02 4.24 0.00 3.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -581 Cds-HH CdsJ-Ct 300-1500 1.93E-03 4.24 0.00 11.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -582 Cds-HH CsJ-SsHH 300-1500 6.55E-03 4.24 0.00 16.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -583 Cds-HH CsJ-SsCsH 300-1500 1.17E-02 4.24 0.00 16.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -584 Cds-HH CsJ-SsCsCs 300-1500 4.72E-03 4.24 0.00 16.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -585 Cds-HH CdsJ-Ss 300-1500 3.91E-02 4.24 0.00 8.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -586 Cds-HH CsJ-CdSsH 300-1500 6.46E-02 4.24 0.00 27.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -587 Cds-HH CsJ-CdSsCs 300-1500 8.17E-03 4.24 0.00 27.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -588 Cds-HH CsJ-CtSsH 300-1500 3.84E-02 4.24 0.00 25.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -589 Cds-HH CsJ-CtSsCs 300-1500 1.57E-01 4.24 0.00 26.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -590 Cds-CsH HJ 300-1500 1.08E+00 4.24 0.00 6.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -591 Cds-CsH CsJ-HHH 300-1500 3.12E-02 4.24 0.00 8.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -592 Cds-CsH CsJ-CsHH 300-1500 4.79E-03 4.24 0.00 9.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -593 Cds-CsH CsJ-CsCsH 300-1500 9.55E-03 4.24 0.00 10.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -594 Cds-CsH CsJ-CsCsCs 300-1500 3.78E-03 4.24 0.00 10.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -595 Cds-CsH CsJ-CdHH 300-1500 4.51E-02 4.24 0.00 20.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -596 Cds-CsH CsJ-CdCsH 300-1500 2.68E-02 4.24 0.00 22.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -597 Cds-CsH CsJ-CdCsCs 300-1500 5.53E-03 4.24 0.00 22.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -598 Cds-CsH CsJ-CdCdH 300-1500 9.85E-02 4.24 0.00 29.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -599 Cds-CsH CsJ-CdCdCs 300-1500 6.60E-03 4.24 0.00 29.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -600 Cds-CsH CsJ-CtHH 300-1500 2.05E-02 4.24 0.00 16.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -601 Cds-CsH CsJ-CtCsH 300-1500 6.44E-03 4.24 0.00 18.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -602 Cds-CsH CsJ-CtCsCs 300-1500 3.44E-03 4.24 0.00 18.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -603 Cds-CsH CsJ-CtCtH 300-1500 2.99E-02 4.24 0.00 23.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -604 Cds-CsH CsJ-CtCtCs 300-1500 1.11E-03 4.24 0.00 24.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -605 Cds-CsH CsJ-CbHH 300-1500 4.40E-02 4.24 0.00 18.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -606 Cds-CsH CsJ-CbCsH 300-1500 1.71E-02 4.24 0.00 18.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -607 Cds-CsH CsJ-CbCsCs 300-1500 6.13E-04 4.24 0.00 18.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -608 Cds-CsH CdsJ-H 300-1500 2.94E-02 4.24 0.00 4.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -609 Cds-CsH CdsJ-Cs 300-1500 2.19E-02 4.24 0.00 4.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -610 Cds-CsH CdsJ-Cd 300-1500 1.39E-02 4.24 0.00 11.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -611 Cds-CsH CbJ 300-1500 3.49E-02 4.24 0.00 1.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -612 Cds-CsH CdsJ-Ct 300-1500 2.97E-03 4.24 0.00 8.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -613 Cds-CsH CsJ-SsHH 300-1500 1.01E-02 4.24 0.00 13.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -614 Cds-CsH CsJ-SsCsH 300-1500 1.80E-02 4.24 0.00 13.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -615 Cds-CsH CsJ-SsCsCs 300-1500 7.25E-03 4.24 0.00 13.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -616 Cds-CsH CdsJ-Ss 300-1500 6.01E-02 4.24 0.00 6.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -617 Cds-CsH CsJ-CdSsH 300-1500 9.93E-02 4.24 0.00 25.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -618 Cds-CsH CsJ-CdSsCs 300-1500 1.25E-02 4.24 0.00 25.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -619 Cds-CsH CsJ-CtSsH 300-1500 5.90E-02 4.24 0.00 23.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -620 Cds-CsH CsJ-CtSsCs 300-1500 2.41E-01 4.24 0.00 24.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -621 Cds-CdH HJ 300-1500 7.23E-01 4.24 0.00 6.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -622 Cds-CdH CsJ-HHH 300-1500 2.09E-02 4.24 0.00 8.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -623 Cds-CdH CsJ-CsHH 300-1500 4.26E-03 4.24 0.00 9.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -624 Cds-CdH CsJ-CsCsH 300-1500 1.13E-02 4.24 0.00 10.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -625 Cds-CdH CsJ-CsCsCs 300-1500 5.92E-03 4.24 0.00 10.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -626 Cds-CdH CsJ-CdHH 300-1500 4.40E-02 4.24 0.00 21.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -627 Cds-CdH CsJ-CdCsH 300-1500 3.47E-02 4.24 0.00 23.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -628 Cds-CdH CsJ-CdCsCs 300-1500 9.47E-03 4.24 0.00 23.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -629 Cds-CdH CsJ-CdCdH 300-1500 1.39E-01 4.24 0.00 31.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -630 Cds-CdH CsJ-CdCdCs 300-1500 1.24E-02 4.24 0.00 31.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -631 Cds-CdH CsJ-CtHH 300-1500 2.00E-02 4.24 0.00 17.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -632 Cds-CdH CsJ-CtCsH 300-1500 8.32E-03 4.24 0.00 19.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -633 Cds-CdH CsJ-CtCsCs 300-1500 5.90E-03 4.24 0.00 19.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -634 Cds-CdH CsJ-CtCtH 300-1500 4.23E-02 4.24 0.00 25.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -635 Cds-CdH CsJ-CtCtCs 300-1500 2.08E-03 4.24 0.00 26.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -636 Cds-CdH CsJ-CbHH 300-1500 4.29E-02 4.24 0.00 19.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -637 Cds-CdH CsJ-CbCsH 300-1500 2.20E-02 4.24 0.00 20.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -638 Cds-CdH CsJ-CbCsCs 300-1500 1.05E-03 4.24 0.00 19.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -639 Cds-CdH CdsJ-H 300-1500 1.97E-02 4.24 0.00 3.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -640 Cds-CdH CdsJ-Cs 300-1500 1.95E-02 4.24 0.00 4.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -641 Cds-CdH CdsJ-Cd 300-1500 9.30E-03 4.24 0.00 11.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -642 Cds-CdH CbJ 300-1500 2.34E-02 4.24 0.00 1.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -643 Cds-CdH CdsJ-Ct 300-1500 1.99E-03 4.24 0.00 8.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -644 Cds-CdH CsJ-SsHH 300-1500 6.75E-03 4.24 0.00 13.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -645 Cds-CdH CsJ-SsCsH 300-1500 1.21E-02 4.24 0.00 13.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -646 Cds-CdH CsJ-SsCsCs 300-1500 4.86E-03 4.24 0.00 13.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -647 Cds-CdH CdsJ-Ss 300-1500 4.04E-02 4.24 0.00 6.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -648 Cds-CdH CsJ-CdSsH 300-1500 6.66E-02 4.24 0.00 24.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -649 Cds-CdH CsJ-CdSsCs 300-1500 8.42E-03 4.24 0.00 24.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -650 Cds-CdH CsJ-CtSsH 300-1500 3.96E-02 4.24 0.00 23.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -651 Cds-CdH CsJ-CtSsCs 300-1500 1.62E-01 4.24 0.00 24.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -652 Cb-H HJ 300-1500 8.00E-01 4.24 0.00 10.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -653 Cb-H CsJ-HHH 300-1500 2.31E-02 4.24 0.00 12.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -654 Cb-H CsJ-CsHH 300-1500 4.71E-03 4.24 0.00 14.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -655 Cb-H CsJ-CsCsH 300-1500 1.25E-02 4.24 0.00 15.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -656 Cb-H CsJ-CsCsCs 300-1500 6.54E-03 4.24 0.00 15.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -657 Cb-H CsJ-CdHH 300-1500 4.86E-02 4.24 0.00 25.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -658 Cb-H CsJ-CdCsH 300-1500 3.83E-02 4.24 0.00 27.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -659 Cb-H CsJ-CdCsCs 300-1500 1.05E-02 4.24 0.00 27.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -660 Cb-H CsJ-CdCdH 300-1500 1.54E-01 4.24 0.00 35.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -661 Cb-H CsJ-CdCdCs 300-1500 1.37E-02 4.24 0.00 36.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -662 Cb-H CsJ-CtHH 300-1500 2.21E-02 4.24 0.00 21.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -663 Cb-H CsJ-CtCsH 300-1500 9.20E-03 4.24 0.00 23.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -664 Cb-H CsJ-CtCsCs 300-1500 6.52E-03 4.24 0.00 24.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -665 Cb-H CsJ-CtCtH 300-1500 4.68E-02 4.24 0.00 29.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -666 Cb-H CsJ-CtCtCs 300-1500 2.30E-03 4.24 0.00 30.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -667 Cb-H CsJ-CbHH 300-1500 4.74E-02 4.24 0.00 23.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -668 Cb-H CsJ-CbCsH 300-1500 2.44E-02 4.24 0.00 24.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -669 Cb-H CsJ-CbCsCs 300-1500 1.16E-03 4.24 0.00 23.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -670 Cb-H CdsJ-H 300-1500 2.18E-02 4.24 0.00 8.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -671 Cb-H CdsJ-Cs 300-1500 2.15E-02 4.24 0.00 9.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -672 Cb-H CdsJ-Cd 300-1500 1.03E-02 4.24 0.00 15.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -673 Cb-H CbJ 300-1500 2.59E-02 4.24 0.00 5.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -674 Cb-H CdsJ-Ct 300-1500 2.21E-03 4.24 0.00 13.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -675 Cb-H CsJ-SsHH 300-1500 7.47E-03 4.24 0.00 18.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -676 Cb-H CsJ-SsCsH 300-1500 1.33E-02 4.24 0.00 18.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -677 Cb-H CsJ-SsCsCs 300-1500 5.38E-03 4.24 0.00 17.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -678 Cb-H CdsJ-Ss 300-1500 4.46E-02 4.24 0.00 10.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -679 Cb-H CsJ-CdSsH 300-1500 7.37E-02 4.24 0.00 29.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -680 Cb-H CsJ-CdSsCs 300-1500 9.31E-03 4.24 0.00 29.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -681 Cb-H CsJ-CtSsH 300-1500 4.38E-02 4.24 0.00 27.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -682 Cb-H CsJ-CtSsCs 300-1500 1.79E-01 4.24 0.00 28.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -683 Cds-CtH HJ 300-1500 5.33E-01 4.24 0.00 3.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -684 Cds-CtH CsJ-HHH 300-1500 1.54E-02 4.24 0.00 6.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -685 Cds-CtH CsJ-CsHH 300-1500 3.14E-03 4.24 0.00 7.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -686 Cds-CtH CsJ-CsCsH 300-1500 8.31E-03 4.24 0.00 8.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -687 Cds-CtH CsJ-CsCsCs 300-1500 4.36E-03 4.24 0.00 8.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -688 Cds-CtH CsJ-CdHH 300-1500 3.24E-02 4.24 0.00 18.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -689 Cds-CtH CsJ-CdCsH 300-1500 2.56E-02 4.24 0.00 20.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -690 Cds-CtH CsJ-CdCsCs 300-1500 6.99E-03 4.24 0.00 21.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -691 Cds-CtH CsJ-CdCdH 300-1500 1.03E-01 4.24 0.00 28.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -692 Cds-CtH CsJ-CdCdCs 300-1500 9.13E-03 4.24 0.00 29.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -693 Cds-CtH CsJ-CtHH 300-1500 1.47E-02 4.24 0.00 15.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -694 Cds-CtH CsJ-CtCsH 300-1500 6.13E-03 4.24 0.00 16.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -695 Cds-CtH CsJ-CtCsCs 300-1500 4.35E-03 4.24 0.00 17.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -696 Cds-CtH CsJ-CtCtH 300-1500 3.12E-02 4.24 0.00 23.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -697 Cds-CtH CsJ-CtCtCs 300-1500 1.54E-03 4.24 0.00 24.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -698 Cds-CtH CsJ-CbHH 300-1500 3.16E-02 4.24 0.00 16.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -699 Cds-CtH CsJ-CbCsH 300-1500 1.63E-02 4.24 0.00 17.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -700 Cds-CtH CsJ-CbCsCs 300-1500 7.75E-04 4.24 0.00 17.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -701 Cds-CtH CdsJ-H 300-1500 1.45E-02 4.24 0.00 1.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -702 Cds-CtH CdsJ-Cs 300-1500 1.44E-02 4.24 0.00 2.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -703 Cds-CtH CdsJ-Cd 300-1500 6.86E-03 4.24 0.00 9.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -704 Cds-CtH CbJ 300-1500 1.73E-02 4.24 0.00 -1.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -705 Cds-CtH CdsJ-Ct 300-1500 1.47E-03 4.24 0.00 6.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -706 Cds-CtH CsJ-SsHH 300-1500 4.98E-03 4.24 0.00 11.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -707 Cds-CtH CsJ-SsCsH 300-1500 8.89E-03 4.24 0.00 11.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -708 Cds-CtH CsJ-SsCsCs 300-1500 3.59E-03 4.24 0.00 11.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -709 Cds-CtH CdsJ-Ss 300-1500 2.98E-02 4.24 0.00 3.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -710 Cds-CtH CsJ-CdSsH 300-1500 4.91E-02 4.24 0.00 22.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -711 Cds-CtH CsJ-CdSsCs 300-1500 6.21E-03 4.24 0.00 22.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -712 Cds-CtH CsJ-CtSsH 300-1500 2.92E-02 4.24 0.00 21.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -713 Cds-CtH CsJ-CtSsCs 300-1500 1.19E-01 4.24 0.00 21.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -714 Cs-SsHHH HJ 300-1500 1.77E-01 4.24 0.00 3.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -715 Cs-SsHHH CsJ-HHH 300-1500 5.11E-03 4.24 0.00 5.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -716 Cs-SsHHH CsJ-CsHH 300-1500 1.04E-03 4.24 0.00 7.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -717 Cs-SsHHH CsJ-CsCsH 300-1500 2.75E-03 4.24 0.00 8.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -718 Cs-SsHHH CsJ-CsCsCs 300-1500 1.44E-03 4.24 0.00 8.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -719 Cs-SsHHH CsJ-CdHH 300-1500 1.07E-02 4.24 0.00 18.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -720 Cs-SsHHH CsJ-CdCsH 300-1500 8.46E-03 4.24 0.00 20.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -721 Cs-SsHHH CsJ-CdCsCs 300-1500 2.31E-03 4.24 0.00 20.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -722 Cs-SsHHH CsJ-CdCdH 300-1500 3.41E-02 4.24 0.00 28.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -723 Cs-SsHHH CsJ-CdCdCs 300-1500 3.02E-03 4.24 0.00 29.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -724 Cs-SsHHH CsJ-CtHH 300-1500 4.88E-03 4.24 0.00 14.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -725 Cs-SsHHH CsJ-CtCsH 300-1500 2.03E-03 4.24 0.00 16.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -726 Cs-SsHHH CsJ-CtCsCs 300-1500 1.44E-03 4.24 0.00 17.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -727 Cs-SsHHH CsJ-CtCtH 300-1500 1.03E-02 4.24 0.00 22.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -728 Cs-SsHHH CsJ-CtCtCs 300-1500 5.08E-04 4.24 0.00 24.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -729 Cs-SsHHH CsJ-CbHH 300-1500 1.05E-02 4.24 0.00 16.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -730 Cs-SsHHH CsJ-CbCsH 300-1500 5.38E-03 4.24 0.00 17.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -731 Cs-SsHHH CsJ-CbCsCs 300-1500 2.56E-04 4.24 0.00 17.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -732 Cs-SsHHH CdsJ-H 300-1500 4.81E-03 4.24 0.00 1.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -733 Cs-SsHHH CdsJ-Cs 300-1500 4.76E-03 4.24 0.00 2.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -734 Cs-SsHHH CdsJ-Cd 300-1500 2.27E-03 4.24 0.00 9.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -735 Cs-SsHHH CbJ 300-1500 5.72E-03 4.24 0.00 -1.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -736 Cs-SsHHH CdsJ-Ct 300-1500 4.87E-04 4.24 0.00 6.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -737 Cs-SsHHH CsJ-SsHH 300-1500 1.65E-03 4.24 0.00 11.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -738 Cs-SsHHH CsJ-SsCsH 300-1500 2.94E-03 4.24 0.00 11.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -739 Cs-SsHHH CsJ-SsCsCs 300-1500 1.19E-03 4.24 0.00 11.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -740 Cs-SsHHH CdsJ-Ss 300-1500 9.86E-03 4.24 0.00 3.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -741 Cs-SsHHH CsJ-CdSsH 300-1500 1.63E-02 4.24 0.00 22.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -742 Cs-SsHHH CsJ-CdSsCs 300-1500 2.06E-03 4.24 0.00 22.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -743 Cs-SsHHH CsJ-CtSsH 300-1500 9.67E-03 4.24 0.00 20.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -744 Cs-SsHHH CsJ-CtSsCs 300-1500 3.95E-02 4.24 0.00 21.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -745 Cs-SsCsHH HJ 300-1500 4.87E-01 4.24 0.00 2.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -746 Cs-SsCsHH CsJ-HHH 300-1500 1.41E-02 4.24 0.00 4.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -747 Cs-SsCsHH CsJ-CsHH 300-1500 2.87E-03 4.24 0.00 5.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -748 Cs-SsCsHH CsJ-CsCsH 300-1500 7.59E-03 4.24 0.00 6.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -749 Cs-SsCsHH CsJ-CsCsCs 300-1500 3.98E-03 4.24 0.00 6.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -750 Cs-SsCsHH CsJ-CdHH 300-1500 2.96E-02 4.24 0.00 17.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -751 Cs-SsCsHH CsJ-CdCsH 300-1500 2.33E-02 4.24 0.00 19.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -752 Cs-SsCsHH CsJ-CdCsCs 300-1500 6.38E-03 4.24 0.00 19.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -753 Cs-SsCsHH CsJ-CdCdH 300-1500 9.39E-02 4.24 0.00 27.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -754 Cs-SsCsHH CsJ-CdCdCs 300-1500 8.34E-03 4.24 0.00 27.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -755 Cs-SsCsHH CsJ-CtHH 300-1500 1.35E-02 4.24 0.00 13.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -756 Cs-SsCsHH CsJ-CtCsH 300-1500 5.60E-03 4.24 0.00 15.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -757 Cs-SsCsHH CsJ-CtCsCs 300-1500 3.97E-03 4.24 0.00 15.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -758 Cs-SsCsHH CsJ-CtCtH 300-1500 2.85E-02 4.24 0.00 21.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -759 Cs-SsCsHH CsJ-CtCtCs 300-1500 1.40E-03 4.24 0.00 22.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -760 Cs-SsCsHH CsJ-CbHH 300-1500 2.89E-02 4.24 0.00 15.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -761 Cs-SsCsHH CsJ-CbCsH 300-1500 1.48E-02 4.24 0.00 15.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -762 Cs-SsCsHH CsJ-CbCsCs 300-1500 7.07E-04 4.24 0.00 15.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -763 Cs-SsCsHH CdsJ-H 300-1500 1.33E-02 4.24 0.00 -0.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -764 Cs-SsCsHH CdsJ-Cs 300-1500 1.31E-02 4.24 0.00 0.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -765 Cs-SsCsHH CdsJ-Cd 300-1500 6.26E-03 4.24 0.00 7.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -766 Cs-SsCsHH CbJ 300-1500 1.58E-02 4.24 0.00 -2.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -767 Cs-SsCsHH CdsJ-Ct 300-1500 1.34E-03 4.24 0.00 4.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -768 Cs-SsCsHH CsJ-SsHH 300-1500 4.55E-03 4.24 0.00 9.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -769 Cs-SsCsHH CsJ-SsCsH 300-1500 8.12E-03 4.24 0.00 9.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -770 Cs-SsCsHH CsJ-SsCsCs 300-1500 3.28E-03 4.24 0.00 9.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -771 Cs-SsCsHH CdsJ-Ss 300-1500 2.72E-02 4.24 0.00 2.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -772 Cs-SsCsHH CsJ-CdSsH 300-1500 4.49E-02 4.24 0.00 20.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -773 Cs-SsCsHH CsJ-CdSsCs 300-1500 5.67E-03 4.24 0.00 20.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -774 Cs-SsCsHH CsJ-CtSsH 300-1500 2.67E-02 4.24 0.00 19.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -775 Cs-SsCsHH CsJ-CtSsCs 300-1500 1.09E-01 4.24 0.00 20.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -776 Cs-SsCsCsH HJ 300-1500 5.95E-01 4.24 0.00 0.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -777 Cs-SsCsCsH CsJ-HHH 300-1500 1.72E-02 4.24 0.00 2.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -778 Cs-SsCsCsH CsJ-CsHH 300-1500 3.51E-03 4.24 0.00 4.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -779 Cs-SsCsCsH CsJ-CsCsH 300-1500 9.26E-03 4.24 0.00 5.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -780 Cs-SsCsCsH CsJ-CsCsCs 300-1500 4.87E-03 4.24 0.00 5.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -781 Cs-SsCsCsH CsJ-CdHH 300-1500 3.62E-02 4.24 0.00 15.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -782 Cs-SsCsCsH CsJ-CdCsH 300-1500 2.85E-02 4.24 0.00 17.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -783 Cs-SsCsCsH CsJ-CdCsCs 300-1500 7.79E-03 4.24 0.00 17.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -784 Cs-SsCsCsH CsJ-CdCdH 300-1500 1.15E-01 4.24 0.00 25.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -785 Cs-SsCsCsH CsJ-CdCdCs 300-1500 1.02E-02 4.24 0.00 26.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -786 Cs-SsCsCsH CsJ-CtHH 300-1500 1.64E-02 4.24 0.00 11.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -787 Cs-SsCsCsH CsJ-CtCsH 300-1500 6.84E-03 4.24 0.00 13.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -788 Cs-SsCsCsH CsJ-CtCsCs 300-1500 4.85E-03 4.24 0.00 14.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -789 Cs-SsCsCsH CsJ-CtCtH 300-1500 3.48E-02 4.24 0.00 20.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -790 Cs-SsCsCsH CsJ-CtCtCs 300-1500 1.71E-03 4.24 0.00 21.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -791 Cs-SsCsCsH CsJ-CbHH 300-1500 3.53E-02 4.24 0.00 13.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -792 Cs-SsCsCsH CsJ-CbCsH 300-1500 1.81E-02 4.24 0.00 14.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -793 Cs-SsCsCsH CsJ-CbCsCs 300-1500 8.64E-04 4.24 0.00 14.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -794 Cs-SsCsCsH CdsJ-H 300-1500 1.62E-02 4.24 0.00 -1.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -795 Cs-SsCsCsH CdsJ-Cs 300-1500 1.60E-02 4.24 0.00 -0.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -796 Cs-SsCsCsH CdsJ-Cd 300-1500 7.65E-03 4.24 0.00 6.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -797 Cs-SsCsCsH CbJ 300-1500 1.93E-02 4.24 0.00 -4.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -798 Cs-SsCsCsH CdsJ-Ct 300-1500 1.64E-03 4.24 0.00 3.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -799 Cs-SsCsCsH CsJ-SsHH 300-1500 5.55E-03 4.24 0.00 8.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -800 Cs-SsCsCsH CsJ-SsCsH 300-1500 9.92E-03 4.24 0.00 8.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -801 Cs-SsCsCsH CsJ-SsCsCs 300-1500 4.00E-03 4.24 0.00 8.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -802 Cs-SsCsCsH CdsJ-Ss 300-1500 3.32E-02 4.24 0.00 0.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -803 Cs-SsCsCsH CsJ-CdSsH 300-1500 5.48E-02 4.24 0.00 19.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -804 Cs-SsCsCsH CsJ-CdSsCs 300-1500 6.92E-03 4.24 0.00 19.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -805 Cs-SsCsCsH CsJ-CtSsH 300-1500 3.26E-02 4.24 0.00 17.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -806 Cs-SsCsCsH CsJ-CtSsCs 300-1500 1.33E-01 4.24 0.00 18.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -807 Cds-SsH HJ 300-1500 1.24E+00 4.24 0.00 4.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -808 Cds-SsH CsJ-HHH 300-1500 3.60E-02 4.24 0.00 6.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -809 Cds-SsH CsJ-CsHH 300-1500 7.33E-03 4.24 0.00 8.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -810 Cds-SsH CsJ-CsCsH 300-1500 1.94E-02 4.24 0.00 9.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -811 Cds-SsH CsJ-CsCsCs 300-1500 1.02E-02 4.24 0.00 9.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -812 Cds-SsH CsJ-CdHH 300-1500 7.56E-02 4.24 0.00 19.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -813 Cds-SsH CsJ-CdCsH 300-1500 5.96E-02 4.24 0.00 21.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -814 Cds-SsH CsJ-CdCsCs 300-1500 1.63E-02 4.24 0.00 21.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -815 Cds-SsH CsJ-CdCdH 300-1500 2.40E-01 4.24 0.00 29.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -816 Cds-SsH CsJ-CdCdCs 300-1500 2.13E-02 4.24 0.00 30.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -817 Cds-SsH CsJ-CtHH 300-1500 3.44E-02 4.24 0.00 15.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -818 Cds-SsH CsJ-CtCsH 300-1500 1.43E-02 4.24 0.00 17.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -819 Cds-SsH CsJ-CtCsCs 300-1500 1.01E-02 4.24 0.00 18.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -820 Cds-SsH CsJ-CtCtH 300-1500 7.28E-02 4.24 0.00 23.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -821 Cds-SsH CsJ-CtCtCs 300-1500 3.58E-03 4.24 0.00 25.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -822 Cds-SsH CsJ-CbHH 300-1500 7.38E-02 4.24 0.00 17.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -823 Cds-SsH CsJ-CbCsH 300-1500 3.79E-02 4.24 0.00 18.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -824 Cds-SsH CsJ-CbCsCs 300-1500 1.81E-03 4.24 0.00 17.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -825 Cds-SsH CdsJ-H 300-1500 3.39E-02 4.24 0.00 2.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -826 Cds-SsH CdsJ-Cs 300-1500 3.35E-02 4.24 0.00 3.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -827 Cds-SsH CdsJ-Cd 300-1500 1.60E-02 4.24 0.00 9.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -828 Cds-SsH CbJ 300-1500 4.03E-02 4.24 0.00 -0.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -829 Cds-SsH CdsJ-Ct 300-1500 3.43E-03 4.24 0.00 7.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -830 Cds-SsH CsJ-SsHH 300-1500 1.16E-02 4.24 0.00 12.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -831 Cds-SsH CsJ-SsCsH 300-1500 2.07E-02 4.24 0.00 12.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -832 Cds-SsH CsJ-SsCsCs 300-1500 8.37E-03 4.24 0.00 11.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -833 Cds-SsH CdsJ-Ss 300-1500 6.94E-02 4.24 0.00 4.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -834 Cds-SsH CsJ-CdSsH 300-1500 1.15E-01 4.24 0.00 23.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -835 Cds-SsH CsJ-CdSsCs 300-1500 1.45E-02 4.24 0.00 23.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -836 Cds-SsH CsJ-CtSsH 300-1500 6.81E-02 4.24 0.00 21.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -837 Cds-SsH CsJ-CtSsCs 300-1500 2.79E-01 4.24 0.00 22.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -838 Cs-CdSsHH HJ 300-1500 8.93E-01 4.24 0.00 1.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -839 Cs-CdSsHH CsJ-HHH 300-1500 2.58E-02 4.24 0.00 3.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -840 Cs-CdSsHH CsJ-CsHH 300-1500 5.26E-03 4.24 0.00 4.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -841 Cs-CdSsHH CsJ-CsCsH 300-1500 1.39E-02 4.24 0.00 5.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -842 Cs-CdSsHH CsJ-CsCsCs 300-1500 7.30E-03 4.24 0.00 5.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -843 Cs-CdSsHH CsJ-CdHH 300-1500 5.43E-02 4.24 0.00 16.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -844 Cs-CdSsHH CsJ-CdCsH 300-1500 4.28E-02 4.24 0.00 18.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -845 Cs-CdSsHH CsJ-CdCsCs 300-1500 1.17E-02 4.24 0.00 18.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -846 Cs-CdSsHH CsJ-CdCdH 300-1500 1.72E-01 4.24 0.00 26.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -847 Cs-CdSsHH CsJ-CdCdCs 300-1500 1.53E-02 4.24 0.00 26.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -848 Cs-CdSsHH CsJ-CtHH 300-1500 2.47E-02 4.24 0.00 12.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -849 Cs-CdSsHH CsJ-CtCsH 300-1500 1.03E-02 4.24 0.00 14.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -850 Cs-CdSsHH CsJ-CtCsCs 300-1500 7.28E-03 4.24 0.00 14.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -851 Cs-CdSsHH CsJ-CtCtH 300-1500 5.23E-02 4.24 0.00 20.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -852 Cs-CdSsHH CsJ-CtCtCs 300-1500 2.57E-03 4.24 0.00 21.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -853 Cs-CdSsHH CsJ-CbHH 300-1500 5.29E-02 4.24 0.00 14.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -854 Cs-CdSsHH CsJ-CbCsH 300-1500 2.72E-02 4.24 0.00 14.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -855 Cs-CdSsHH CsJ-CbCsCs 300-1500 1.30E-03 4.24 0.00 14.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -856 Cs-CdSsHH CdsJ-H 300-1500 2.43E-02 4.24 0.00 -1.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -857 Cs-CdSsHH CdsJ-Cs 300-1500 2.40E-02 4.24 0.00 -0.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -858 Cs-CdSsHH CdsJ-Cd 300-1500 1.15E-02 4.24 0.00 6.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -859 Cs-CdSsHH CbJ 300-1500 2.89E-02 4.24 0.00 -3.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -860 Cs-CdSsHH CdsJ-Ct 300-1500 2.46E-03 4.24 0.00 3.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -861 Cs-CdSsHH CsJ-SsHH 300-1500 8.34E-03 4.24 0.00 8.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -862 Cs-CdSsHH CsJ-SsCsH 300-1500 1.49E-02 4.24 0.00 8.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -863 Cs-CdSsHH CsJ-SsCsCs 300-1500 6.00E-03 4.24 0.00 8.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -864 Cs-CdSsHH CdsJ-Ss 300-1500 4.98E-02 4.24 0.00 1.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -865 Cs-CdSsHH CsJ-CdSsH 300-1500 8.23E-02 4.24 0.00 19.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -866 Cs-CdSsHH CsJ-CdSsCs 300-1500 1.04E-02 4.24 0.00 19.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -867 Cs-CdSsHH CsJ-CtSsH 300-1500 4.89E-02 4.24 0.00 18.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -868 Cs-CdSsHH CsJ-CtSsCs 300-1500 2.00E-01 4.24 0.00 19.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -869 Cs-CdSsCsH HJ 300-1500 4.81E-01 4.24 0.00 0.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -870 Cs-CdSsCsH CsJ-HHH 300-1500 1.39E-02 4.24 0.00 2.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -871 Cs-CdSsCsH CsJ-CsHH 300-1500 2.83E-03 4.24 0.00 3.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -872 Cs-CdSsCsH CsJ-CsCsH 300-1500 7.49E-03 4.24 0.00 4.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -873 Cs-CdSsCsH CsJ-CsCsCs 300-1500 3.93E-03 4.24 0.00 4.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -874 Cs-CdSsCsH CsJ-CdHH 300-1500 2.92E-02 4.24 0.00 14.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -875 Cs-CdSsCsH CsJ-CdCsH 300-1500 2.30E-02 4.24 0.00 16.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -876 Cs-CdSsCsH CsJ-CdCsCs 300-1500 6.30E-03 4.24 0.00 17.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -877 Cs-CdSsCsH CsJ-CdCdH 300-1500 9.27E-02 4.24 0.00 25.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -878 Cs-CdSsCsH CsJ-CdCdCs 300-1500 8.23E-03 4.24 0.00 25.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -879 Cs-CdSsCsH CsJ-CtHH 300-1500 1.33E-02 4.24 0.00 11.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -880 Cs-CdSsCsH CsJ-CtCsH 300-1500 5.53E-03 4.24 0.00 12.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -881 Cs-CdSsCsH CsJ-CtCsCs 300-1500 3.92E-03 4.24 0.00 13.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -882 Cs-CdSsCsH CsJ-CtCtH 300-1500 2.82E-02 4.24 0.00 19.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -883 Cs-CdSsCsH CsJ-CtCtCs 300-1500 1.38E-03 4.24 0.00 20.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -884 Cs-CdSsCsH CsJ-CbHH 300-1500 2.85E-02 4.24 0.00 12.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -885 Cs-CdSsCsH CsJ-CbCsH 300-1500 1.47E-02 4.24 0.00 13.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -886 Cs-CdSsCsH CsJ-CbCsCs 300-1500 6.98E-04 4.24 0.00 13.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -887 Cs-CdSsCsH CdsJ-H 300-1500 1.31E-02 4.24 0.00 -2.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -888 Cs-CdSsCsH CdsJ-Cs 300-1500 1.30E-02 4.24 0.00 -1.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -889 Cs-CdSsCsH CdsJ-Cd 300-1500 6.18E-03 4.24 0.00 5.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -890 Cs-CdSsCsH CbJ 300-1500 1.56E-02 4.24 0.00 -5.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -891 Cs-CdSsCsH CdsJ-Ct 300-1500 1.33E-03 4.24 0.00 2.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -892 Cs-CdSsCsH CsJ-SsHH 300-1500 4.49E-03 4.24 0.00 7.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -893 Cs-CdSsCsH CsJ-SsCsH 300-1500 8.02E-03 4.24 0.00 7.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -894 Cs-CdSsCsH CsJ-SsCsCs 300-1500 3.23E-03 4.24 0.00 7.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -895 Cs-CdSsCsH CdsJ-Ss 300-1500 2.68E-02 4.24 0.00 -0.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -896 Cs-CdSsCsH CsJ-CdSsH 300-1500 4.43E-02 4.24 0.00 18.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -897 Cs-CdSsCsH CsJ-CdSsCs 300-1500 5.60E-03 4.24 0.00 18.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -898 Cs-CdSsCsH CsJ-CtSsH 300-1500 2.63E-02 4.24 0.00 17.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -899 Cs-CdSsCsH CsJ-CtSsCs 300-1500 1.08E-01 4.24 0.00 17.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -900 Cs-CtSsHH HJ 300-1500 7.32E-01 4.24 0.00 0.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -901 Cs-CtSsHH CsJ-HHH 300-1500 2.12E-02 4.24 0.00 3.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -902 Cs-CtSsHH CsJ-CsHH 300-1500 4.31E-03 4.24 0.00 4.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -903 Cs-CtSsHH CsJ-CsCsH 300-1500 1.14E-02 4.24 0.00 5.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -904 Cs-CtSsHH CsJ-CsCsCs 300-1500 5.98E-03 4.24 0.00 5.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -905 Cs-CtSsHH CsJ-CdHH 300-1500 4.45E-02 4.24 0.00 15.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -906 Cs-CtSsHH CsJ-CdCsH 300-1500 3.51E-02 4.24 0.00 17.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -907 Cs-CtSsHH CsJ-CdCsCs 300-1500 9.58E-03 4.24 0.00 18.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -908 Cs-CtSsHH CsJ-CdCdH 300-1500 1.41E-01 4.24 0.00 25.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -909 Cs-CtSsHH CsJ-CdCdCs 300-1500 1.25E-02 4.24 0.00 26.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -910 Cs-CtSsHH CsJ-CtHH 300-1500 2.02E-02 4.24 0.00 12.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -911 Cs-CtSsHH CsJ-CtCsH 300-1500 8.41E-03 4.24 0.00 13.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -912 Cs-CtSsHH CsJ-CtCsCs 300-1500 5.97E-03 4.24 0.00 14.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -913 Cs-CtSsHH CsJ-CtCtH 300-1500 4.28E-02 4.24 0.00 20.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -914 Cs-CtSsHH CsJ-CtCtCs 300-1500 2.11E-03 4.24 0.00 21.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -915 Cs-CtSsHH CsJ-CbHH 300-1500 4.34E-02 4.24 0.00 13.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -916 Cs-CtSsHH CsJ-CbCsH 300-1500 2.23E-02 4.24 0.00 14.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -917 Cs-CtSsHH CsJ-CbCsCs 300-1500 1.06E-03 4.24 0.00 14.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -918 Cs-CtSsHH CdsJ-H 300-1500 1.99E-02 4.24 0.00 -1.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -919 Cs-CtSsHH CdsJ-Cs 300-1500 1.97E-02 4.24 0.00 -0.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -920 Cs-CtSsHH CdsJ-Cd 300-1500 9.40E-03 4.24 0.00 6.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -921 Cs-CtSsHH CbJ 300-1500 2.37E-02 4.24 0.00 -4.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -922 Cs-CtSsHH CdsJ-Ct 300-1500 2.02E-03 4.24 0.00 3.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -923 Cs-CtSsHH CsJ-SsHH 300-1500 6.83E-03 4.24 0.00 8.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -924 Cs-CtSsHH CsJ-SsCsH 300-1500 1.22E-02 4.24 0.00 8.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -925 Cs-CtSsHH CsJ-SsCsCs 300-1500 4.92E-03 4.24 0.00 8.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -926 Cs-CtSsHH CdsJ-Ss 300-1500 4.08E-02 4.24 0.00 0.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -927 Cs-CtSsHH CsJ-CdSsH 300-1500 6.74E-02 4.24 0.00 19.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -928 Cs-CtSsHH CsJ-CdSsCs 300-1500 8.51E-03 4.24 0.00 19.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -929 Cs-CtSsHH CsJ-CtSsH 300-1500 4.01E-02 4.24 0.00 18.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -930 Cs-CtSsHH CsJ-CtSsCs 300-1500 1.64E-01 4.24 0.00 18.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -931 Cs-CtSsCsH HJ 300-1500 7.39E-01 4.24 0.00 -0.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -932 Cs-CtSsCsH CsJ-HHH 300-1500 2.14E-02 4.24 0.00 1.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -933 Cs-CtSsCsH CsJ-CsHH 300-1500 4.35E-03 4.24 0.00 2.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -934 Cs-CtSsCsH CsJ-CsCsH 300-1500 1.15E-02 4.24 0.00 3.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -935 Cs-CtSsCsH CsJ-CsCsCs 300-1500 6.04E-03 4.24 0.00 3.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -936 Cs-CtSsCsH CsJ-CdHH 300-1500 4.49E-02 4.24 0.00 14.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -937 Cs-CtSsCsH CsJ-CdCsH 300-1500 3.54E-02 4.24 0.00 16.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -938 Cs-CtSsCsH CsJ-CdCsCs 300-1500 9.67E-03 4.24 0.00 16.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -939 Cs-CtSsCsH CsJ-CdCdH 300-1500 1.42E-01 4.24 0.00 24.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -940 Cs-CtSsCsH CsJ-CdCdCs 300-1500 1.26E-02 4.24 0.00 24.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -941 Cs-CtSsCsH CsJ-CtHH 300-1500 2.04E-02 4.24 0.00 10.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -942 Cs-CtSsCsH CsJ-CtCsH 300-1500 8.49E-03 4.24 0.00 12.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -943 Cs-CtSsCsH CsJ-CtCsCs 300-1500 6.02E-03 4.24 0.00 12.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -944 Cs-CtSsCsH CsJ-CtCtH 300-1500 4.32E-02 4.24 0.00 18.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -945 Cs-CtSsCsH CsJ-CtCtCs 300-1500 2.13E-03 4.24 0.00 19.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -946 Cs-CtSsCsH CsJ-CbHH 300-1500 4.38E-02 4.24 0.00 12.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -947 Cs-CtSsCsH CsJ-CbCsH 300-1500 2.25E-02 4.24 0.00 13.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -948 Cs-CtSsCsH CsJ-CbCsCs 300-1500 1.07E-03 4.24 0.00 12.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -949 Cs-CtSsCsH CdsJ-H 300-1500 2.01E-02 4.24 0.00 -3.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -950 Cs-CtSsCsH CdsJ-Cs 300-1500 1.99E-02 4.24 0.00 -2.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -951 Cs-CtSsCsH CdsJ-Cd 300-1500 9.49E-03 4.24 0.00 4.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -952 Cs-CtSsCsH CbJ 300-1500 2.39E-02 4.24 0.00 -5.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -953 Cs-CtSsCsH CdsJ-Ct 300-1500 2.04E-03 4.24 0.00 1.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -954 Cs-CtSsCsH CsJ-SsHH 300-1500 6.89E-03 4.24 0.00 6.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -955 Cs-CtSsCsH CsJ-SsCsH 300-1500 1.23E-02 4.24 0.00 6.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -956 Cs-CtSsCsH CsJ-SsCsCs 300-1500 4.97E-03 4.24 0.00 6.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -957 Cs-CtSsCsH CdsJ-Ss 300-1500 4.12E-02 4.24 0.00 -0.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -958 Cs-CtSsCsH CsJ-CdSsH 300-1500 6.80E-02 4.24 0.00 18.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -959 Cs-CtSsCsH CsJ-CdSsCs 300-1500 8.59E-03 4.24 0.00 18.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -960 Cs-CtSsCsH CsJ-CtSsCs 300-1500 4.04E-02 4.24 0.00 16.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -961 Cs-CtSsCsH CsJ-CtSsCs 300-1500 1.65E-01 4.24 0.00 17.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -962 Ss-HH HJ 300-1500 1.16E+04 2.98 0.00 -0.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -963 Ss-HH CsJ-HHH 300-1500 2.08E+02 2.98 0.00 0.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -964 Ss-HH CsJ-CsHH 300-1500 3.22E+01 2.98 0.00 -0.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -965 Ss-HH CsJ-CsCsH 300-1500 3.92E+01 2.98 0.00 -1.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -966 Ss-HH CsJ-CsCsCs 300-1500 8.74E+01 2.98 0.00 -2.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -967 Ss-HH CdsJ-H 300-1500 5.50E+02 2.98 0.00 -1.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -968 Ss-HH CdsJ-Cs 300-1500 2.91E+02 2.98 0.00 -2.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -969 Ss-HH CdsJ-Cd 300-1500 1.95E+02 2.98 0.00 2.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -970 Ss-HH CdsJ-Ct 300-1500 3.08E+01 2.98 0.00 -0.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -971 Ss-HH CsJ-CdHH 300-1500 1.43E+02 2.98 0.00 6.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -972 Ss-HH CsJ-CdCsH 300-1500 1.14E+02 2.98 0.00 6.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -973 Ss-HH CsJ-CdCsCs 300-1500 2.10E+01 2.98 0.00 5.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -974 Ss-HH CsJ-CdCdH 300-1500 2.35E+02 2.98 0.00 13.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -975 Ss-HH CsJ-CdCdCs 300-1500 1.25E+01 2.98 0.00 13.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -976 Ss-HH CsJ-CtHH 300-1500 1.24E+02 2.98 0.00 4.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -977 Ss-HH CsJ-CtCsH 300-1500 3.93E+01 2.98 0.00 4.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -978 Ss-HH CsJ-CtCsCs 300-1500 1.37E+01 2.98 0.00 3.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -979 Ss-HH CsJ-CtCtH 300-1500 9.86E+01 2.98 0.00 9.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -980 Ss-HH CsJ-CtCtCs 300-1500 2.75E+00 2.98 0.00 9.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -981 Ss-HH CbJ 300-1500 3.83E+02 2.98 0.00 -3.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -982 Ss-HH CsJ-CbHH 300-1500 8.91E+01 2.98 0.00 3.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -983 Ss-HH CsJ-CbCsH 300-1500 3.35E+01 2.98 0.00 2.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -984 Ss-HH CsJ-CbCsCs 300-1500 2.33E+00 2.98 0.00 1.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -985 Ss-HH CsJ-SsHH 300-1500 2.83E+01 2.98 0.00 1.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -986 Ss-HH CsJ-SsCsH 300-1500 6.67E+01 2.98 0.00 -0.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -987 Ss-HH CsJ-SsCsCs 300-1500 1.63E+01 2.98 0.00 -1.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -988 Ss-HH CdsJ-Ss 300-1500 7.76E+03 2.98 0.00 -1.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -989 Ss-HH CsJ-CdSsH 300-1500 1.24E+02 2.98 0.00 8.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -990 Ss-HH CsJ-CdSsCs 300-1500 2.26E+01 2.98 0.00 7.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -991 Ss-HH CsJ-CtSsH 300-1500 8.09E+01 2.98 0.00 7.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -992 Ss-HH CsJ-CtSsCs 300-1500 3.81E+02 2.98 0.00 7.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -993 Ss-CsH HJ 300-1500 3.22E+04 2.98 0.00 -0.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -994 Ss-CsH CsJ-HHH 300-1500 5.79E+02 2.98 0.00 0.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -995 Ss-CsH CsJ-CsHH 300-1500 8.99E+01 2.98 0.00 -0.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -996 Ss-CsH CsJ-CsCsH 300-1500 1.09E+02 2.98 0.00 -1.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -997 Ss-CsH CsJ-CsCsCs 300-1500 2.44E+02 2.98 0.00 -3.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -998 Ss-CsH CdsJ-H 300-1500 1.53E+03 2.98 0.00 -2.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -999 Ss-CsH CdsJ-Cs 300-1500 8.10E+02 2.98 0.00 -3.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1000 Ss-CsH CdsJ-Cd 300-1500 5.45E+02 2.98 0.00 2.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1001 Ss-CsH CdsJ-Ct 300-1500 8.60E+01 2.98 0.00 -0.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1002 Ss-CsH CsJ-CdHH 300-1500 4.00E+02 2.98 0.00 5.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1003 Ss-CsH CsJ-CdCsH 300-1500 3.17E+02 2.98 0.00 5.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1004 Ss-CsH CsJ-CdCsCs 300-1500 5.86E+01 2.98 0.00 5.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1005 Ss-CsH CsJ-CdCdH 300-1500 6.55E+02 2.98 0.00 12.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1006 Ss-CsH CsJ-CdCdCs 300-1500 3.48E+01 2.98 0.00 12.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1007 Ss-CsH CsJ-CtHH 300-1500 3.46E+02 2.98 0.00 4.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1008 Ss-CsH CsJ-CtCsH 300-1500 1.10E+02 2.98 0.00 3.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1009 Ss-CsH CsJ-CtCsCs 300-1500 3.81E+01 2.98 0.00 3.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1010 Ss-CsH CsJ-CtCtH 300-1500 2.75E+02 2.98 0.00 9.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1011 Ss-CsH CsJ-CtCtCs 300-1500 7.66E+00 2.98 0.00 9.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1012 Ss-CsH CbJ 300-1500 1.07E+03 2.98 0.00 -3.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1013 Ss-CsH CsJ-CbHH 300-1500 2.49E+02 2.98 0.00 2.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1014 Ss-CsH CsJ-CbCsH 300-1500 9.35E+01 2.98 0.00 2.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1015 Ss-CsH CsJ-CbCsCs 300-1500 6.51E+00 2.98 0.00 1.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1016 Ss-CsH CsJ-SsHH 300-1500 7.90E+01 2.98 0.00 0.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1017 Ss-CsH CsJ-SsCsH 300-1500 1.86E+02 2.98 0.00 -0.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1018 Ss-CsH CsJ-SsCsCs 300-1500 4.56E+01 2.98 0.00 -1.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1019 Ss-CsH CdsJ-Ss 300-1500 2.16E+04 2.98 0.00 -1.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1020 Ss-CsH CsJ-CdSsH 300-1500 3.44E+02 2.98 0.00 7.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1021 Ss-CsH CsJ-CdSsCs 300-1500 6.30E+01 2.98 0.00 7.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1022 Ss-CsH CsJ-CtSsH 300-1500 2.26E+02 2.98 0.00 6.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1023 Ss-CsH CsJ-CtSsCs 300-1500 1.06E+03 2.98 0.00 7.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1024 Ss-CdH HJ 300-1500 4.42E+04 2.98 0.00 -1.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1025 Ss-CdH CsJ-HHH 300-1500 7.95E+02 2.98 0.00 -0.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1026 Ss-CdH CsJ-CsHH 300-1500 1.23E+02 2.98 0.00 -1.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1027 Ss-CdH CsJ-CsCsH 300-1500 1.50E+02 2.98 0.00 -2.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1028 Ss-CdH CsJ-CsCsCs 300-1500 3.34E+02 2.98 0.00 -3.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1029 Ss-CdH CdsJ-H 300-1500 2.10E+03 2.98 0.00 -2.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1030 Ss-CdH CdsJ-Cs 300-1500 1.11E+03 2.98 0.00 -3.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1031 Ss-CdH CdsJ-Cd 300-1500 7.47E+02 2.98 0.00 1.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1032 Ss-CdH CdsJ-Ct 300-1500 1.18E+02 2.98 0.00 -1.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1033 Ss-CdH CsJ-CdHH 300-1500 5.49E+02 2.98 0.00 5.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1034 Ss-CdH CsJ-CdCsH 300-1500 4.35E+02 2.98 0.00 5.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1035 Ss-CdH CsJ-CdCsCs 300-1500 8.04E+01 2.98 0.00 4.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1036 Ss-CdH CsJ-CdCdH 300-1500 8.98E+02 2.98 0.00 12.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1037 Ss-CdH CsJ-CdCdCs 300-1500 4.77E+01 2.98 0.00 12.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1038 Ss-CdH CsJ-CtHH 300-1500 4.75E+02 2.98 0.00 3.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1039 Ss-CdH CsJ-CtCsH 300-1500 1.50E+02 2.98 0.00 3.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1040 Ss-CdH CsJ-CtCsCs 300-1500 5.22E+01 2.98 0.00 2.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1041 Ss-CdH CsJ-CtCtH 300-1500 3.77E+02 2.98 0.00 8.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1042 Ss-CdH CsJ-CtCtCs 300-1500 1.05E+01 2.98 0.00 8.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1043 Ss-CdH CbJ 300-1500 1.46E+03 2.98 0.00 -4.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1044 Ss-CdH CsJ-CbHH 300-1500 3.41E+02 2.98 0.00 2.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1045 Ss-CdH CsJ-CbCsH 300-1500 1.28E+02 2.98 0.00 1.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1046 Ss-CdH CsJ-CbCsCs 300-1500 8.93E+00 2.98 0.00 1.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1047 Ss-CdH CsJ-SsHH 300-1500 1.08E+02 2.98 0.00 0.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1048 Ss-CdH CsJ-SsCsH 300-1500 2.55E+02 2.98 0.00 -1.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1049 Ss-CdH CsJ-SsCsCs 300-1500 6.25E+01 2.98 0.00 -2.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1050 Ss-CdH CdsJ-Ss 300-1500 2.97E+04 2.98 0.00 -2.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1051 Ss-CdH CsJ-CdSsH 300-1500 4.72E+02 2.98 0.00 7.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1052 Ss-CdH CsJ-CdSsCs 300-1500 8.64E+01 2.98 0.00 6.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1053 Ss-CdH CsJ-CtSsH 300-1500 3.09E+02 2.98 0.00 6.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1054 Ss-CdH CsJ-CtSsCs 300-1500 1.46E+03 2.98 0.00 6.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1055 Ss-CtH HJ 300-1500 4.48E+04 2.98 0.00 -2.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1056 Ss-CtH CsJ-HHH 300-1500 8.06E+02 2.98 0.00 -1.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1057 Ss-CtH CsJ-CsHH 300-1500 1.25E+02 2.98 0.00 -2.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1058 Ss-CtH CsJ-CsCsH 300-1500 1.52E+02 2.98 0.00 -3.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1059 Ss-CtH CsJ-CsCsCs 300-1500 3.39E+02 2.98 0.00 -5.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1060 Ss-CtH CdsJ-H 300-1500 2.13E+03 2.98 0.00 -4.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1061 Ss-CtH CdsJ-Cs 300-1500 1.13E+03 2.98 0.00 -5.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1062 Ss-CtH CdsJ-Cd 300-1500 7.58E+02 2.98 0.00 0.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1063 Ss-CtH CdsJ-Ct 300-1500 1.20E+02 2.98 0.00 -2.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1064 Ss-CtH CsJ-CdHH 300-1500 5.57E+02 2.98 0.00 3.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1065 Ss-CtH CsJ-CdCsH 300-1500 4.41E+02 2.98 0.00 3.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1066 Ss-CtH CsJ-CdCsCs 300-1500 8.15E+01 2.98 0.00 3.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1067 Ss-CtH CsJ-CdCdH 300-1500 9.11E+02 2.98 0.00 10.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1068 Ss-CtH CsJ-CdCdCs 300-1500 4.84E+01 2.98 0.00 10.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1069 Ss-CtH CsJ-CtHH 300-1500 4.82E+02 2.98 0.00 2.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1070 Ss-CtH CsJ-CtCsH 300-1500 1.53E+02 2.98 0.00 1.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1071 Ss-CtH CsJ-CtCsCs 300-1500 5.30E+01 2.98 0.00 1.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1072 Ss-CtH CsJ-CtCtH 300-1500 3.82E+02 2.98 0.00 7.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1073 Ss-CtH CsJ-CtCtCs 300-1500 1.07E+01 2.98 0.00 7.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1074 Ss-CtH CbJ 300-1500 1.49E+03 2.98 0.00 -5.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1075 Ss-CtH CsJ-CbHH 300-1500 3.46E+02 2.98 0.00 0.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1076 Ss-CtH CsJ-CbCsH 300-1500 1.30E+02 2.98 0.00 0.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1077 Ss-CtH CsJ-CbCsCs 300-1500 9.05E+00 2.98 0.00 -0.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1078 Ss-CtH CsJ-SsHH 300-1500 1.10E+02 2.98 0.00 -1.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1079 Ss-CtH CsJ-SsCsH 300-1500 2.59E+02 2.98 0.00 -2.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1080 Ss-CtH CsJ-SsCsCs 300-1500 6.34E+01 2.98 0.00 -3.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1081 Ss-CtH CdsJ-Ss 300-1500 3.01E+04 2.98 0.00 -3.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1082 Ss-CtH CsJ-CdSsH 300-1500 4.79E+02 2.98 0.00 5.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1083 Ss-CtH CsJ-CdSsCs 300-1500 8.76E+01 2.98 0.00 5.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1084 Ss-CtH CsJ-CtSsH 300-1500 3.14E+02 2.98 0.00 4.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1085 Ss-CtH CsJ-CtSsCs 300-1500 1.48E+03 2.98 0.00 4.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1086 Ss-CbH HJ 300-1500 3.64E+03 2.98 0.00 -1.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1087 Ss-CbH CsJ-HHH 300-1500 6.54E+01 2.98 0.00 -0.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1088 Ss-CbH CsJ-CsHH 300-1500 1.01E+01 2.98 0.00 -1.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1089 Ss-CbH CsJ-CsCsH 300-1500 1.24E+01 2.98 0.00 -2.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1090 Ss-CbH CsJ-CsCsCs 300-1500 2.75E+01 2.98 0.00 -4.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1091 Ss-CbH CdsJ-H 300-1500 1.73E+02 2.98 0.00 -3.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1092 Ss-CbH CdsJ-Cs 300-1500 9.15E+01 2.98 0.00 -4.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1093 Ss-CbH CdsJ-Cd 300-1500 6.15E+01 2.98 0.00 1.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1094 Ss-CbH CdsJ-Ct 300-1500 9.71E+00 2.98 0.00 -1.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1095 Ss-CbH CsJ-CdHH 300-1500 4.52E+01 2.98 0.00 4.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1096 Ss-CbH CsJ-CdCsH 300-1500 3.58E+01 2.98 0.00 4.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1097 Ss-CbH CsJ-CdCsCs 300-1500 6.62E+00 2.98 0.00 4.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1098 Ss-CbH CsJ-CdCdH 300-1500 7.40E+01 2.98 0.00 11.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1099 Ss-CbH CsJ-CdCdCs 300-1500 3.93E+00 2.98 0.00 11.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1100 Ss-CbH CsJ-CtHH 300-1500 3.91E+01 2.98 0.00 3.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1101 Ss-CbH CsJ-CtCsH 300-1500 1.24E+01 2.98 0.00 2.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1102 Ss-CbH CsJ-CtCsCs 300-1500 4.30E+00 2.98 0.00 2.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1103 Ss-CbH CsJ-CtCtH 300-1500 3.10E+01 2.98 0.00 8.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1104 Ss-CbH CsJ-CtCtCs 300-1500 8.65E-01 2.98 0.00 8.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1105 Ss-CbH CbJ 300-1500 1.21E+02 2.98 0.00 -4.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1106 Ss-CbH CsJ-CbHH 300-1500 2.81E+01 2.98 0.00 1.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1107 Ss-CbH CsJ-CbCsH 300-1500 1.06E+01 2.98 0.00 1.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1108 Ss-CbH CsJ-CbCsCs 300-1500 7.35E-01 2.98 0.00 0.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1109 Ss-CbH CsJ-SsHH 300-1500 8.92E+00 2.98 0.00 -0.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1110 Ss-CbH CsJ-SsCsH 300-1500 2.10E+01 2.98 0.00 -1.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1111 Ss-CbH CsJ-SsCsCs 300-1500 5.15E+00 2.98 0.00 -2.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1112 Ss-CbH CdsJ-Ss 300-1500 2.44E+03 2.98 0.00 -2.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1113 Ss-CbH CsJ-CdSsH 300-1500 3.89E+01 2.98 0.00 6.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1114 Ss-CbH CsJ-CdSsCs 300-1500 7.11E+00 2.98 0.00 6.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1115 Ss-CbH CsJ-CtSsH 300-1500 2.55E+01 2.98 0.00 5.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1116 Ss-CbH CsJ-CtSsCs 300-1500 1.20E+02 2.98 0.00 5.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1117 Ss-SsH HJ 300-1500 4.83E+04 2.98 0.00 -2.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1118 Ss-SsH CsJ-HHH 300-1500 8.69E+02 2.98 0.00 -1.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1119 Ss-SsH CsJ-CsHH 300-1500 1.35E+02 2.98 0.00 -2.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1120 Ss-SsH CsJ-CsCsH 300-1500 1.64E+02 2.98 0.00 -3.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1121 Ss-SsH CsJ-CsCsCs 300-1500 3.65E+02 2.98 0.00 -5.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1122 Ss-SsH CdsJ-H 300-1500 2.30E+03 2.98 0.00 -4.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1123 Ss-SsH CdsJ-Cs 300-1500 1.21E+03 2.98 0.00 -5.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1124 Ss-SsH CdsJ-Cd 300-1500 8.17E+02 2.98 0.00 0.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1125 Ss-SsH CdsJ-Ct 300-1500 1.29E+02 2.98 0.00 -2.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1126 Ss-SsH CsJ-CdHH 300-1500 6.00E+02 2.98 0.00 3.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1127 Ss-SsH CsJ-CdCsH 300-1500 4.75E+02 2.98 0.00 3.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1128 Ss-SsH CsJ-CdCsCs 300-1500 8.79E+01 2.98 0.00 3.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1129 Ss-SsH CsJ-CdCdH 300-1500 9.82E+02 2.98 0.00 10.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1130 Ss-SsH CsJ-CdCdCs 300-1500 5.22E+01 2.98 0.00 10.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1131 Ss-SsH CsJ-CtHH 300-1500 5.19E+02 2.98 0.00 2.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1132 Ss-SsH CsJ-CtCsH 300-1500 1.64E+02 2.98 0.00 1.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1133 Ss-SsH CsJ-CtCsCs 300-1500 5.71E+01 2.98 0.00 1.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1134 Ss-SsH CsJ-CtCtH 300-1500 4.12E+02 2.98 0.00 7.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1135 Ss-SsH CsJ-CtCtCs 300-1500 1.15E+01 2.98 0.00 7.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1136 Ss-SsH CbJ 300-1500 1.60E+03 2.98 0.00 -5.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1137 Ss-SsH CsJ-CbHH 300-1500 3.73E+02 2.98 0.00 0.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1138 Ss-SsH CsJ-CbCsH 300-1500 1.40E+02 2.98 0.00 0.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1139 Ss-SsH CsJ-CbCsCs 300-1500 9.76E+00 2.98 0.00 -0.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1140 Ss-SsH CsJ-SsHH 300-1500 1.18E+02 2.98 0.00 -1.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1141 Ss-SsH CsJ-SsCsH 300-1500 2.79E+02 2.98 0.00 -2.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1142 Ss-SsH CsJ-SsCsCs 300-1500 6.83E+01 2.98 0.00 -3.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1143 Ss-SsH CdsJ-Ss 300-1500 3.24E+04 2.98 0.00 -3.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1144 Ss-SsH CsJ-CdSsH 300-1500 5.17E+02 2.98 0.00 5.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1145 Ss-SsH CsJ-CdSsCs 300-1500 9.44E+01 2.98 0.00 5.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1146 Ss-SsH CsJ-CtSsH 300-1500 3.38E+02 2.98 0.00 4.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1147 Ss-SsH CsJ-CtSsCs 300-1500 1.59E+03 2.98 0.00 5.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -1148 Ss-HH SsJ-H 300-1500 1.53E+03 3.17 0.00 2.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1149 Ss-HH SsJ-Cs 300-1500 7.90E+02 3.17 0.00 4.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1150 Ss-HH SsJ-Cd 300-1500 3.12E+02 3.17 0.00 0.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1151 Ss-HH SsJ-Ct 300-1500 9.01E+02 3.17 0.00 12.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1152 Ss-HH SsJ-Cb 300-1500 2.27E+02 3.17 0.00 2.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1153 Ss-HH SsJ-Ss 300-1500 1.64E+02 3.17 0.00 3.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1154 Ss-CsH SsJ-H 300-1500 1.49E+03 3.17 0.00 -0.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1155 Ss-CsH SsJ-Cs 300-1500 7.68E+02 3.17 0.00 1.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1156 Ss-CsH SsJ-Cd 300-1500 3.04E+02 3.17 0.00 -2.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1157 Ss-CsH SsJ-Ct 300-1500 8.76E+02 3.17 0.00 9.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1158 Ss-CsH SsJ-Cb 300-1500 2.20E+02 3.17 0.00 -0.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1159 Ss-CsH SsJ-Ss 300-1500 1.59E+02 3.17 0.00 0.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1160 Ss-CdH SsJ-H 300-1500 1.56E+03 3.17 0.00 -3.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1161 Ss-CdH SsJ-Cs 300-1500 8.01E+02 3.17 0.00 -0.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1162 Ss-CdH SsJ-Cd 300-1500 3.17E+02 3.17 0.00 -4.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1163 Ss-CdH SsJ-Ct 300-1500 9.14E+02 3.17 0.00 7.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1164 Ss-CdH SsJ-Cb 300-1500 2.30E+02 3.17 0.00 -2.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1165 Ss-CdH SsJ-Ss 300-1500 1.66E+02 3.17 0.00 -1.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1166 Ss-CtH SsJ-H 300-1500 5.95E+02 3.17 0.00 -3.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1167 Ss-CtH SsJ-Cs 300-1500 3.06E+02 3.17 0.00 -0.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1168 Ss-CtH SsJ-Cd 300-1500 1.21E+02 3.17 0.00 -5.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1169 Ss-CtH SsJ-Ct 300-1500 3.49E+02 3.17 0.00 7.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1170 Ss-CtH SsJ-Cb 300-1500 8.78E+01 3.17 0.00 -2.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1171 Ss-CtH SsJ-Ss 300-1500 6.35E+01 3.17 0.00 -2.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1172 Ss-CbH SsJ-H 300-1500 4.28E+02 3.17 0.00 -2.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1173 Ss-CbH SsJ-Cs 300-1500 2.20E+02 3.17 0.00 -0.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1174 Ss-CbH SsJ-Cd 300-1500 8.72E+01 3.17 0.00 -4.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1175 Ss-CbH SsJ-Ct 300-1500 2.51E+02 3.17 0.00 7.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1176 Ss-CbH SsJ-Cb 300-1500 6.32E+01 3.17 0.00 -2.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1177 Ss-CbH SsJ-Ss 300-1500 4.57E+01 3.17 0.00 -1.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1178 Ss-SsH SsJ-H 300-1500 3.09E+02 3.17 0.00 -1.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1179 Ss-SsH SsJ-Cs 300-1500 1.59E+02 3.17 0.00 0.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1180 Ss-SsH SsJ-Cd 300-1500 6.30E+01 3.17 0.00 -3.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1181 Ss-SsH SsJ-Ct 300-1500 1.82E+02 3.17 0.00 8.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1182 Ss-SsH SsJ-Cb 300-1500 4.57E+01 3.17 0.00 -1.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1183 Ss-SsH SsJ-Ss 300-1500 3.30E+01 3.17 0.00 -0.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -// H abstracties van H2C=S - -1184 Ss-CsH C=SJ-H 300-1500 3.95E+02 3.17 0.00 0.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1185 C=S-HH CsJ-HHH 300-1500 8.32E+04 2.3 0.00 -0.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -// H abstracties door SJJ -1186 H-H SJJ 300-1500 3.49E+07 1.650 0.0 21.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1187 Cs-HHHH SJJ 300-1500 1.73E+02 2.748 0.0 20.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1188 Ss-CsH SJJ 300-1500 4.69E+04 2.639 0.0 2.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1189 SsI-H HJ 300-1500 1.42E+08 1.518 0.0 0.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1190 SsI-H CsJ-HHH 300-1500 2.15E+04 2.289 0.0 0.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1191 SsI-H SsJ-Cs 300-1500 3.00E+02 3.026 0.0 -0.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/reactionAdjList.txt deleted file mode 100644 index 61200275d5..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/reactionAdjList.txt +++ /dev/null @@ -1,21 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Nov. 18, 2002 // -// // -////////////////////////////////////////////////////// - - -// f01 H Abstraction - -X-H + YJ -> XJ + Y-H - -thermo_consistence - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) FORM_BOND {*2,S,*3} -(3) GAIN_RADICAL {*1,1} -(4) LOSE_RADICAL {*3,1} - diff --git a/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/tree.txt b/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/tree.txt deleted file mode 100644 index 922736d767..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/H_Abstraction/tree.txt +++ /dev/null @@ -1,312 +0,0 @@ -// tree for f01: HAbstraction reaction -// original from tree.txt, CDW 10/20/2002 -// SR and JS correct errors and add more nodes, Nov., 20, 2002 -// S.R., C.D.W (1/21/03) add biradicals -// C.D.W. (6/4/03) added Y_2centeradjbirad (O2b and C2b). -// JS, remove CO_birad to form a new family later: CO + RH -> HCO + R. Aug, 26, 2003 -// f01_intermolecular_HA -// -// Tree fully revised by Aäron Vandeputte Aug 7th 2009 -// -// - -L1: X-H - L2: H-H - L2: C-H - L3: Cs-H - L4: Cs-NonDe - L5: Cs-HHHH - L5: Cs-CsHHH - L5: Cs-CsCsHH - L5: Cs-CsCsCsH - L5: Cs-OsHHH - L5: Cs-OsCsHH - L5: Cs-OsCsCsH - L5: Cs-OsOsHH - L5: Cs-OsOsCsH - L5: Cs-OsOsOsH - L5: Cs-SsHHH - L5: Cs-SsCsHH - L5: Cs-SsCsCsH - L5: Cs-SsSsHH - L5: Cs-SsSsCsH - L5: Cs-SsSsSsH - L4: Cs-OneDe - L5: Cs-OneDeHHH - L6: Cs-CdHHH - L6: Cs-CtHHH - L6: Cs-CbHHH - L6: Cs-COHHH - L6: Cs-C=SHHH - L5: Cs-OneDeCsHH - L6: Cs-CdCsHH - L6: Cs-CtCsHH - L6: Cs-CbCsHH - L6: Cs-COCsHH - L6: Cs-C=SCsHH - L5: Cs-OneDeOsHH - L5: Cs-OneDeSsHH - L6: Cs-CdSsHH - L6: Cs-CtSsHH - L5: Cs-OneDeCsCsH - L6: Cs-CdCsCsH - L6: Cs-CtCsCsH - L6: Cs-CbCsCsH - L6: Cs-COCsCsH - L6: Cs-C=SCsCsH - L5: Cs-OneDeOsCsH - L5: Cs-OneDeSsCsH - L6: Cs-CdSsCsH - L6: Cs-CtSsCsH - L5: Cs-OneDeOsOsH - L5: Cs-OneDeOsSsH - L5: Cs-OneDeSsSsH - L4: Cs-TwoDe - L5: Cs-TwoDeHH - L6: Cs-CdCdHH - L6: Cs-CdCtHH - L6: Cs-CdCbHH - L6: Cs-CdCOHH - L6: Cs-CdC=SHH - L6: Cs-CtCtHH - L6: Cs-CtCbHH - L6: Cs-CtCOHH - L6: Cs-CtC=SHH - L6: Cs-CbCbHH - L6: Cs-CbCOHH - L6: Cs-CbC=SHH - L6: Cs-COCOHH - L6: Cs-COC=SHH - L6: Cs-C=SC=SHH - L5: Cs-TwoDeCsH - L6: Cs-CdCdCsH - L6: Cs-CdCtCsH - L6: Cs-CdCbCsH - L6: Cs-CdCOCsH - L6: Cs-CdC=SCsH - L6: Cs-CtCtCsH - L6: Cs-CtCbCsH - L6: Cs-CtCOCsH - L6: Cs-CtC=SCsH - L6: Cs-CbCbCsH - L6: Cs-CbCOCsH - L6: Cs-CbC=SCsH - L6: Cs-COCOCsH - L6: Cs-COC=SCsH - L6: Cs-C=SC=SCsH - L5: Cs-TwoDeOsH - L5: Cs-TwoDeSsH - L4: Cs-ThreeDe - L3: Cds-H - L4: Cds-HH - L4: Cds-CsH - L4: Cds-CdH - L4: Cds-CtH - L4: Cds-CbH - L4: Cds-COH - L4: Cds-C=SH - L4: Cds-OsH - L4: Cds-SsH - L3: Ct-H - L3: Cb-H - L3: C=S-H - L4: C=S-HH - L4: C=S-CsH - L4: C=S-CdH - L4: C=S-CtH - L4: C=S-CbH - L4: C=S-COH - L4: C=S-C=SH - L4: C=S-OsH - L4: C=S-SsH - -// Oxygen Compounds -// Net yet adapted - - L3: CO_H - L4: CO_pri - L4: CO_sec - L5: CO/H/NonDe - L5: CO/H/OneDe - L2: O_H - L3: O_pri - L3: O_sec - L4: O/H/NonDeC - L4: O/H/NonDeO - L4: O/H/OneDe - - L2: S-H - L3: Ss-H - L4: Ss-HH - L4: Ss-CsH - L4: Ss-SsH - L4: Ss-OneDeH - L5: Ss-CdH - L5: Ss-CtH - L5: Ss-CbH - L5: Ss-COH - L5: Ss-C=SH - L3: SsI-H - - -// Radical tree completely analogue to X-H tree - -L1: YJ - L2: HJ - L2: CJ - L3: CsJ - L4: CsJ-HHH - L4: CsJ-CsHH - L4: CsJ-CsCsH - L4: CsJ-CsCsCs - L4: CsJ-OsHH - L4: CsJ-OsCsH - L4: CsJ-OsCsCs - L4: CsJ-OsOsH - L4: CsJ-OsOsCs - L4: CsJ-OsOsOs - L4: CsJ-SsHH - L4: CsJ-SsCsH - L4: CsJ-SsCsCs - L4: CsJ-SsSsH - L4: CsJ-SsSsCs - L4: CsJ-SsSsSs - L4: CsJ-OneDe - L5: CsJ-OneDeHH - L6: CsJ-CdHH - L6: CsJ-CtHH - L6: CsJ-CbHH - L6: CsJ-COHH - L6: CsJ-C=SHH - L5: CsJ-OneDeCsH - L6: CsJ-CdCsH - L6: CsJ-CtCsH - L6: CsJ-CbCsH - L6: CsJ-COCsH - L6: CsJ-C=SCsH - L5: CsJ-OneDeOsH - L5: CsJ-OneDeSsH - L6: CsJ-CdSsH - L6: CsJ-CtSsH - L5: CsJ-OneDeCsCs - L6: CsJ-CdCsCs - L6: CsJ-CtCsCs - L6: CsJ-CbCsCs - L6: CsJ-COCsCs - L6: CsJ-C=SCsCs - L5: CsJ-OneDeOsCs - L5: CsJ-OneDeSsCs - L6: CsJ-CdSsCs - L6: CsJ-CtSsCs - L5: CsJ-OneDeOsOs - L5: CsJ-OneDeOsSs - L5: CsJ-OneDeSsSs - L4: CsJ-TwoDe - L5: CsJ-TwoDeH - L6: CsJ-CdCdH - L6: CsJ-CdCtH - L6: CsJ-CdCbH - L6: CsJ-CdCOH - L6: CsJ-CdC=SH - L6: CsJ-CtCtH - L6: CsJ-CtCbH - L6: CsJ-CtCOH - L6: CsJ-CtC=SH - L6: CsJ-CbCbH - L6: CsJ-CbCOH - L6: CsJ-CbC=SH - L6: CsJ-COCOH - L6: CsJ-COC=SH - L6: CsJ-C=SC=SH - L5: CsJ-TwoDeCs - L6: CsJ-CdCdCs - L6: CsJ-CdCtCs - L6: CsJ-CdCbCs - L6: CsJ-CdCOCs - L6: CsJ-CdC=SCs - L6: CsJ-CtCtCs - L6: CsJ-CtCbCs - L6: CsJ-CtCOCs - L6: CsJ-CtC=SCs - L6: CsJ-CbCbCs - L6: CsJ-CbCOCs - L6: CsJ-CbC=SCs - L6: CsJ-COCOCs - L6: CsJ-COC=SCs - L6: CsJ-C=SC=SCs - L5: CsJ-TwoDeOs - L5: CsJ-TwoDeSs - L4: CsJ-ThreeDe - L3: CdsJ - L4: CdsJ-H - L4: CdsJ-Cs - L4: CdsJ-Cd - L4: CdsJ-Ct - L4: CdsJ-Cb - L4: CdsJ-CO - L4: CdsJ-C=S - L4: CdsJ-Os - L4: CdsJ-Ss - L3: CtJ - L3: CbJ - L3: C=SJ - L4: C=SJ-H - L4: C=SJ-Cs - L4: C=SJ-Cd - L4: C=SJ-Ct - L4: C=SJ-Cb - L4: C=SJ-CO - L4: C=SJ-C=S - L4: C=SJ-Os - L4: C=SJ-Ss - -// -// This section not updated yet -// - - L3: CO_rad - L4: CO_pri_rad - L4: CO_sec_rad - L5: CO_rad/NonDe - L5: CO_rad/OneDe - - L3: C2b - - L2: O_rad - L3: O_pri_rad - L3: O_sec_rad - L4: O_rad/NonDeC - L4: O_rad/NonDeO - L4: O_rad/OneDe - L3: O2b - -// L2: Y_1centerbirad - //L3: CO_birad - //L3: O_atom_triplet - //L3: CH2_triplet - -// -// Up to here -// - - L2: SJ - L3: SsJ - L4: SsJ-H - L4: SsJ-Cs - L4: SsJ-Ss - L4: SsJ-OneDe - L5: SsJ-Cd - L5: SsJ-Ct - L5: SsJ-Cb - L5: SsJ-CO - L5: SsJ-C=S - L3: SJJ - - - - - - - - - diff --git a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/CVS/Entries deleted file mode 100644 index 7c36d79ff4..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/CVS/Entries +++ /dev/null @@ -1,5 +0,0 @@ -/dictionary.txt/1.2/Fri Aug 22 14:51:19 2008// -/forbiddenGroups.txt/1.1/Fri Aug 22 14:51:19 2008// -/rateLibrary.txt/1.4/Wed Aug 5 18:37:44 2009// -/reactionAdjList.txt/1.2/Fri Aug 22 14:51:19 2008// -/tree.txt/1.2/Fri Aug 22 14:51:19 2008// diff --git a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/CVS/Repository deleted file mode 100644 index bb2c0adf10..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/Intra_R_Add_Endocyclic diff --git a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/dictionary.txt deleted file mode 100644 index 691e4650c0..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/dictionary.txt +++ /dev/null @@ -1,1044 +0,0 @@ -//f29_intra_radical_addition_to_endocyclic_radical -//From Sumathy, Jan, 29, 2003 - -Rn -Union {R3, R4, R5, R6} - -R3 -1 *1 {R!H} 1 {2,S} -2 *2 {Cd,Ct,CO} 0 {1,S}, {3,{D,T}} -3 *3 {Cd,Ct,Od,Sd} 0 {2,{D,T}} - -R3_D -1 *1 {R!H} 1 {2,S} -2 *2 Cd 0 {1,S}, {3,D} -3 *3 Cd 0 {2,D} - -R3_T -1 *1 {R!H} 1 {2,S} -2 *2 Ct 0 {1,S}, {3,T} -3 *3 Ct 0 {2,T} - -R3_CO -1 *1 {R!H} 1 {2,S} -2 *2 CO 0 {1,S}, {3,D} -3 *3 Od 0 {2,D} - -R3_C=S -1 *1 {R!H} 1 {2,S} -2 *2 Cd 0 {1,S}, {3,D} -3 *3 Sd 0 {2,D} - -R4 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 *2 {Cd,Ct,CO} 0 {2,S}, {4,{D,T}} -4 *3 {Cd,Ct,Od,Sd} 0 {3,{D,T}} - -R4_S -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 {Cd,Ct,CO} 0 {2,S}, {4,{D,T}} -4 *3 {Cd,Ct,Od,Sd} 0 {3,{D,T}} - -R4_S_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 Cd 0 {2,S}, {4,D} -4 *3 Cd 0 {3,D} - -R4_S_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 Ct 0 {2,S}, {4,T} -4 *3 Ct 0 {3,T} - -R4_S_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 CO 0 {2,S}, {4,D} -4 *3 Od 0 {3,D} - -R4_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *2 {Cd,Ct,CO} 0 {2,S}, {4,{D,T}} -4 *3 {Cd,Ct,Od,Sd} 0 {3,{D,T}} - -R4_D_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *2 Cd 0 {2,S}, {4,D} -4 *3 Cd 0 {3,D} - -R4_D_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *2 Ct 0 {2,S}, {4,T} -4 *3 Ct 0 {3,T} - -R4_D_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *2 CO 0 {2,S}, {4,D} -4 *3 Od 0 {3,D} - -R4_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *2 {Cd,Ct,CO} 0 {2,S}, {4,{D,T}} -4 *3 {Cd,Ct,Od,Sd} 0 {3,{D,T}} - -R4_T_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *2 Cd 0 {2,S}, {4,D} -4 *3 Cd 0 {3,D} - -R4_T_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *2 Ct 0 {2,S}, {4,T} -4 *3 Ct 0 {3,T} - -R4_T_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *2 CO 0 {2,S}, {4,D} -4 *3 Od 0 {3,D} - -R4_B -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *2 {Cd,Ct,CO} 0 {2,S}, {4,{D,T}} -4 *3 {Cd,Ct,Od,Sd} 0 {3,{D,T}} - -R4_B_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *2 Cd 0 {2,S}, {4,D} -4 *3 Cd 0 {3,D} - -R4_B_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *2 Ct 0 {2,S}, {4,T} -4 *3 Ct 0 {3,T} - -R4_B_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *2 CO 0 {2,S}, {4,D} -4 *3 Od 0 {3,D} - -R5 -Union {R5_SS, R5_SD, R5_DS, R5_ST, R5_TS, R5_SB, R5_BS, R5_BB} - -R5_SS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S}, {5,{D,T}} -5 *3 {Cd,Ct,Od,Sd} 0 {4,{D,T}} - -R5_SDD -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 *5 Cd 0 {2,D}, {4,S} -4 *2 {Cd} 0 {3,S}, {5,D} -5 *3 {Cdd} 0 {4,D} {6,D} -6 Cd 0 {5,D} - -R5_SS_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 Cd 0 {3,S}, {5,D} -5 *3 Cd 0 {4,D} - -R5_SS_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 Ct 0 {3,S}, {5,T} -5 *3 Ct 0 {4,T} - -R5_SS_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 CO 0 {3,S}, {5,D} -5 *3 Od 0 {4,D} - -R5_SD -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 *5 Cd 0 {2,D}, {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S}, {5,{D,T}} -5 *3 {Cd,Ct,Od,Sd} 0 {4,{D,T}} - -R5_SD_D -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 *5 Cd 0 {2,D}, {4,S} -4 *2 Cd 0 {3,S}, {5,D} -5 *3 Cd 0 {4,D} - -R5_SD_T -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 *5 Cd 0 {2,D}, {4,S} -4 *2 Ct 0 {3,S}, {5,T} -5 *3 Ct 0 {4,T} - -R5_SD_CO -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 *5 Cd 0 {2,D}, {4,S} -4 *2 CO 0 {3,S}, {5,D} -5 *3 Od 0 {4,D} - -R5_DS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S}, {5,{D,T}} -5 *3 {Cd,Ct,Od,Sd} 0 {4,{D,T}} - -R5_DS_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 Cd 0 {3,S}, {5,D} -5 *3 Cd 0 {4,D} - -R5_DS_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 Ct 0 {3,S}, {5,T} -5 *3 Ct 0 {4,T} - -R5_DS_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 CO 0 {3,S}, {5,D} -5 *3 Od 0 {4,D} - -R5_ST -1 *1 {R!H} 1 {2,S} -2 *4 Ct 0 {1,S}, {3,T} -3 *5 Ct 0 {2,T}, {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S}, {5,{D,T}} -5 *3 {Cd,Ct,Od,Sd} 0 {4,{D,T}} - -R5_ST_D -1 *1 {R!H} 1 {2,S} -2 *4 Ct 0 {1,S}, {3,T} -3 *5 Ct 0 {2,T}, {4,S} -4 *2 Cd 0 {3,S}, {5,D} -5 *3 Cd 0 {4,D} - -R5_ST_T -1 *1 {R!H} 1 {2,S} -2 *4 Ct 0 {1,S}, {3,T} -3 *5 Ct 0 {2,T}, {4,S} -4 *2 Ct 0 {3,S}, {5,T} -5 *3 Ct 0 {4,T} - -R5_ST_CO -1 *1 {R!H} 1 {2,S} -2 *4 Ct 0 {1,S}, {3,T} -3 *5 Ct 0 {2,T}, {4,S} -4 *2 CO 0 {3,S}, {5,D} -5 *3 Od 0 {4,D} - -R5_TS -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S}, {5,{D,T}} -5 *3 {Cd,Ct,Od,Sd} 0 {4,{D,T}} - -R5_TS_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 Cd 0 {3,S}, {5,D} -5 *3 Cd 0 {4,D} - -R5_TS_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 Ct 0 {3,S} {5,T} -5 *3 Ct 0 {4,T} - -R5_TS_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 CO 0 {3,S}, {5,D} -5 *3 Od 0 {4,D} - -R5_SB -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *5 Cb 0 {2,B}, {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S}, {5,{D,T}} -5 *3 {Cd,Ct,Od,Sd} 0 {4,{D,T}} - -R5_SB_D -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *5 Cb 0 {2,B}, {4,S} -4 *2 Cd 0 {3,S}, {5,D} -5 *3 Cd 0 {4,D} - -R5_SB_T -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *5 Cb 0 {2,B}, {4,S} -4 *2 Ct 0 {3,S}, {5,T} -5 *3 Ct 0 {4,T} - -R5_SB_CO -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *5 Cb 0 {2,B}, {4,S} -4 *2 CO 0 {3,S}, {5,D} -5 *3 Od 0 {4,D} - -R5_BS -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S}, {5,{D,T}} -5 *3 {Cd,Ct,Od,Sd} 0 {4,{D,T}} - -R5_BS_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 Cd 0 {3,S}, {5,D} -5 *3 Cd 0 {4,D} - -R5_BS_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 Ct 0 {3,S}, {5,T} -5 *3 Ct 0 {4,T} - -R5_BS_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 CO 0 {3,S}, {5,D} -5 *3 Od 0 {4,D} - -R5_BB -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *5 Cb 0 {2,B}, {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S}, {5,{D,T}} -5 *3 {Cd,Ct,Od,Sd} 0 {4,{D,T}} - -R5_BB_D -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *5 Cb 0 {2,B}, {4,S} -4 *2 Cd 0 {3,S}, {5,D} -5 *3 Cd 0 {4,D} - -R5_BB_T -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *5 Cb 0 {2,B}, {4,S} -4 *2 Ct 0 {3,S}, {5,T} -5 *3 Ct 0 {4,T} - -R5_BB_CO -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *5 Cb 0 {2,B}, {4,S} -4 *2 CO 0 {3,S}, {5,D} -5 *3 Od 0 {4,D} - -R6 -Union {R6_RSR, R6_SMS, R6_SBB, R6_BBS} - -R6_RSR -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 {R!H} 0 {2,S}, {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_SSR -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 {R!H} 0 {2,S}, {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_SSS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_SSS_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_SSS_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_SSS_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -R6_SSM -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_SSM_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_SSM_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_SSM_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -R6_DSR -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {R!H} 0 {2,S}, {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_DSS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_DSS_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_DSS_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_DSS_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -R6_DSM -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_DSM_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_DSM_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_DSM_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -R6_TSR -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 {R!H} 0 {2,S}, {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_TSS -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_TSS_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_TSS_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_TSS_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -R6_TSM -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_TSM_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_TSM_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_TSM_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -R6_BSR -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 {R!H} 0 {2,S}, {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_BSS -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_BSS_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_BSS_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_BSS_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -R6_BSM -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_BSM_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_BSM_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_BSM_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 {Cd,Ct,Cb} 0 {2,S}, {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -R6_SMS -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S}, {3,{D,T,B}} -3 {Cd,Ct,Cb} 0 {2,{D,T,B}}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_SMS_D -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S}, {3,{D,T,B}} -3 {Cd,Ct,Cb} 0 {2,{D,T,B}}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_SMS_T -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S}, {3,{D,T,B}} -3 {Cd,Ct,Cb} 0 {2,{D,T,B}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_SMS_CO -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S}, {3,{D,T,B}} -3 {Cd,Ct,Cb} 0 {2,{D,T,B}}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -R6_SBB -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 Cbf 0 {2,B}, {4,B} -4 *5 Cb 0 {3,B}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_SBB_D -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 Cbf 0 {2,B}, {4,B} -4 *5 Cb 0 {3,B}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_SBB_T -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 Cbf 0 {2,B}, {4,B} -4 *5 Cb 0 {3,B}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_SBB_CO -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 Cbf 0 {2,B}, {4,B} -4 *5 Cb 0 {3,B}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -R6_BBS -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 Cb 0 {2,B}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S}, {6,{D,T}} -6 *3 {Cd,Ct,Od,Sd} 0 {5,{D,T}} - -R6_BBS_D -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 Cb 0 {2,B}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Cd 0 {4,S}, {6,D} -6 *3 Cd 0 {5,D} - -R6_BBS_T -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 Cb 0 {2,B}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 Ct 0 {4,S}, {6,T} -6 *3 Ct 0 {5,T} - -R6_BBS_CO -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 Cb 0 {2,B}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 CO 0 {4,S}, {6,D} -6 *3 Od 0 {5,D} - -multiplebond_intra -1 *2 {Cd,Ct,CO} 0 {2,{D,T}} -2 *3 {Cd,Ct,Od,Sd} 0 {1,{D,T}} - -doublebond_intra -1 *2 Cd 0 {2,D} -2 *3 Cd 0 {1,D} - -doublebond_intra_pri -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D} -3 H 0 {1,S} - -doublebond_intra_pri_2H -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} - -doublebond_intra_pri_HNd -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 {Cs,O,S} 0 {2,S} - -doublebond_intra_pri_HDe -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_pri_NdNd -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 H 0 {1,S} -4 {Cs,O,S} 0 {2,S} -5 {Cs,O,S} 0 {2,S} - -doublebond_intra_pri_NdDe -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 H 0 {1,S} -4 {Cs,O,S} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_pri_DeDe -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_secNd -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D} -3 {Cs,O,S} 0 {1,S} - -doublebond_intra_secNd_2H -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cs,O,S} 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} - -doublebond_intra_secNd_HNd -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cs,O,S} 0 {1,S} -4 H 0 {2,S} -5 {Cs,O,S} 0 {2,S} - -doublebond_intra_secNd_HDe -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cs,O,S} 0 {1,S} -4 H 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_secNd_NdNd -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {2,S} -5 {Cs,O,S} 0 {2,S} - -doublebond_intra_secNd_NdDe -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cs,O,S} 0 {1,S} -4 {Cs,O,S} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_secNd_DeDe -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cs,O,S} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_secDe -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -doublebond_intra_secDe_2H -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} - -doublebond_intra_secDe_HNd -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {2,S} -5 {Cs,O,S} 0 {2,S} - -doublebond_intra_secDe_HDe -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_secDe_NdNd -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O,S} 0 {2,S} -5 {Cs,O,S} 0 {2,S} - -doublebond_intra_secDe_NdDe -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O,S} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_secDe_DeDe -1 *2 Cd 0 {2,D}, {3,S} -2 *3 Cd 0 {1,D}, {4,S}, {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -triplebond_intra -1 *2 Ct 0 {2,T} -2 *3 Ct 0 {1,T} - -triplebond_intra_H -1 *2 Ct 0 {2,T} -2 *3 Ct 0 {1,T}, {3,S} -3 H 0 {2,S} - -triplebond_intra_Nd -1 *2 Ct 0 {2,T} -2 *3 Ct 0 {1,T}, {3,S} -3 {Cs,O,S} 0 {2,S} - -triplebond_intra_De -1 *2 Ct 0 {2,T} -2 *3 Ct 0 {1,T}, {3,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} - -carbonyl_intra -1 *2 CO 0 {2,D} -2 *3 O 0 {1,D} - -carbonyl_intra_H -1 *2 CO 0 {2,D} {3,S} -2 *3 O 0 {1,D} -3 H 0 {1,S} - -carbonyl_intra_Nd -1 *2 CO 0 {2,D} {3,S} -2 *3 O 0 {1,D} -3 {Cs,O,S} 0 {1,S} - -carbonyl_intra_De -1 *2 CO 0 {2,D} {3,S} -2 *3 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -thiyl_intra -1 *2 Cd 0 {2,D} -2 *3 Sd 0 {1,D} - -thiyl_intra_H -1 *2 Cd 0 {2,D} {3,S} -2 *3 Sd 0 {1,D} -3 H 0 {1,S} - -thiyl_intra_Nd -1 *2 Cd 0 {2,D} {3,S} -2 *3 Sd 0 {1,D} -3 {Cs,O,S} 0 {1,S} - -thiyl_intra_De -1 *2 Cd 0 {2,D} {3,S} -2 *3 Sd 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -radadd_intra -1 *1 {R!H} 1 - -radadd_intra_cs -1 *1 Cs 1 - -radadd_intra_cs2H -1 *1 Cs 1 {2,S}, {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -radadd_intra_csHNd -1 *1 Cs 1 {2,S}, {3,S} -2 H 0 {1,S} -3 {Cs,O,S} 0 {1,S} - -radadd_intra_csHDe -1 *1 Cs 1 {2,S}, {3,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -radadd_intra_csNdNd -1 *1 Cs 1 {2,S}, {3,S} -2 {Cs,O,S} 0 {1,S} -3 {Cs,O,S} 0 {1,S} - -radadd_intra_csNdDe -1 *1 Cs 1 {2,S}, {3,S} -2 {Cs,O,S} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -radadd_intra_csDeDe -1 *1 Cs 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -radadd_intra_cdsingle -1 *1 Cd 1 {2,S} -2 R 0 {1,S} - -radadd_intra_cdsingleH -1 *1 Cd 1 {2,S} -2 H 0 {1,S} - -radadd_intra_cdsingleNd -1 *1 Cd 1 {2,S} -2 {Cs,O,S} 0 {1,S} - -radadd_intra_cdsingleDe -1 *1 Cd 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -radadd_intra_cddouble -1 *1 Cd 1 {2,D} -2 Cd 0 {1,D} - -radadd_intra_CO -1 *1 CO 1 {2,D} -2 O 0 {1,D} - -radadd_intra_O -1 *1 O 1 - -radadd_intra_S -1 *1 S 1 - -radadd_intra_Cb -1 *1 Cb 1 - -radadd_intra_Ct -1 *1 Ct 1 {2,T} -2 Ct 0 {1,T} - - - diff --git a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/forbiddenGroups.txt b/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/forbiddenGroups.txt deleted file mode 100644 index 9025d3e1ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/forbiddenGroups.txt +++ /dev/null @@ -1,4 +0,0 @@ -bond21 -1 *3 R!H 0 {2,{S,D}} -2 *1 R!H 1 {1,{S,D}} - diff --git a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/rateLibrary.txt deleted file mode 100644 index cd1e27a646..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/rateLibrary.txt +++ /dev/null @@ -1,20 +0,0 @@ -// rate library for f29: intra radical addition to form endocyclic radical -// original from rate library.txt, CDW 10/20/2002 - -// JS, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// f29 intra_radical_addition_form_endocyclic_radical -// JS, add 144., a dummy number for debugging, need to be deleleted!!!!!!!!!!!!!!!! - -// Rn multiplebond_intra radadd_intra Temp. A n a E0 DA Dn Da DE0 Rank -809. Rn multiplebond_intra radadd_intra 300-1500 1E+08 0 0 5 0 0 0 0 0 -810. R5_SS_D doublebond_intra_pri_2H radadd_intra_cs2H 300-1500 1.22E+08 1.05 0 15.82 0 0 0 0 2 -811. R6_SSS_D doublebond_intra_pri_2H radadd_intra_cs2H 300-1500 1.00E+08 0.855 0 5.9 0 0 0 0 2 -//added by sandeep after performing simulations on 13HXD system -812. R5_SD_D doublebond_intra_pri_2H radadd_intra_cs2H 300-1600 1.05E+07 1.192 0 34.9116 0 0 0 0 2 -//very crude rough guess -813. R3_D doublebond_intra_pri_HDe radadd_intra_cs2H 300-1600 1.05E+08 1.192 0 54 0 0 0 0 5 -814. R3_T triplebond_intra_H radadd_intra_cs2H 300-1600 1.05E+08 1.192 0 54 0 0 0 0 5 -//815. R6_SSS_D doublebond_intra_pri_NdNd radadd_intra_cs 300-1500 1.00E+10 0 0 50.9 0 0 0 0 2 - diff --git a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/reactionAdjList.txt deleted file mode 100644 index 128d71e76b..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/reactionAdjList.txt +++ /dev/null @@ -1,22 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Nov. 18, 2002 // -// // -////////////////////////////////////////////////////// - - -// f29 intra Radical addition to form endocyclic radical - -Rn -> RnCyclic - -forward -reverse(f30): Ring_Open_Endo_Cycli_Radical - -Actions 1 -(1) CHANGE_BOND {*2,-1,*3} -(2) FORM_BOND {*1,S,*3} -(3) GAIN_RADICAL {*2,1} -(4) LOSE_RADICAL {*1,1} - diff --git a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/tree.txt b/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/tree.txt deleted file mode 100644 index 1592410292..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Endocyclic/tree.txt +++ /dev/null @@ -1,168 +0,0 @@ -// intramolecular addition to form an endo radical -// R(.)()nR'<->R" ---->cyclic endo radical -// from Sumathy, Jan, 29, 2003 - -// f29_intramolecular_addition_form_endocyclic_radical - -L1: Rn - L2: R3 - L3: R3_D - L3: R3_T - L3: R3_CO - L3: R3_C=S - L2: R4 - L3: R4_S - L4: R4_S_D - L4: R4_S_T - L4: R4_S_CO - L3: R4_D - L4: R4_D_D - L4: R4_D_T - L4: R4_D_CO - L3: R4_T - L4: R4_T_D - L4: R4_T_T - L4: R4_T_CO - L3: R4_B - L4: R4_B_D - L4: R4_B_T - L4: R4_B_CO - L2: R5 - L3: R5_SS - L4: R5_SS_D - L4: R5_SS_T - L4: R5_SS_CO - L3: R5_SD - L4: R5_SD_D - L4: R5_SD_T - L4: R5_SD_CO - L3: R5_DS - L4: R5_DS_D - L4: R5_DS_T - L4: R5_DS_CO - L3: R5_ST - L4: R5_ST_D - L4: R5_ST_T - L4: R5_ST_CO - L3: R5_TS - L4: R5_TS_D - L4: R5_TS_T - L4: R5_TS_CO - L3: R5_SB - L4: R5_SB_D - L4: R5_SB_T - L4: R5_SB_CO - L3: R5_BS - L4: R5_BS_D - L4: R5_BS_T - L4: R5_BS_CO - L3: R5_BB - L4: R5_BB_D - L4: R5_BB_T - L4: R5_BB_CO -// L3: R5_SDD - L2: R6 - L3: R6_RSR - L4: R6_SSR - L5: R6_SSS - L6: R6_SSS_D - L6: R6_SSS_T - L6: R6_SSS_CO - L5: R6_SSM - L6: R6_SSM_D - L6: R6_SSM_T - L6: R6_SSM_CO - L4: R6_DSR - L5: R6_DSS - L6: R6_DSS_D - L6: R6_DSS_T - L6: R6_DSS_CO - L5: R6_DSM - L6: R6_DSM_D - L6: R6_DSM_T - L6: R6_DSM_CO - L4: R6_TSR - L5: R6_TSS - L6: R6_TSS_D - L6: R6_TSS_T - L6: R6_TSS_CO - L5: R6_TSM - L6: R6_TSM_D - L6: R6_TSM_T - L6: R6_TSM_CO - L4: R6_BSR - L5: R6_BSS - L6: R6_BSS_D - L6: R6_BSS_T - L6: R6_BSS_CO - L5: R6_BSM - L6: R6_BSM_D - L6: R6_BSM_T - L6: R6_BSM_CO - L3: R6_SMS - L4: R6_SMS_D - L4: R6_SMS_T - L4: R6_SMS_CO - L3: R6_SBB - L4: R6_SBB_D - L4: R6_SBB_T - L4: R6_SBB_CO - L3: R6_BBS - L4: R6_BBS_D - L4: R6_BBS_T - L4: R6_BBS_CO - -L1: multiplebond_intra - L2: doublebond_intra - L3: doublebond_intra_pri - L4: doublebond_intra_pri_2H - L4: doublebond_intra_pri_HNd - L4: doublebond_intra_pri_HDe - L4: doublebond_intra_pri_NdNd - L4: doublebond_intra_pri_NdDe - L4: doublebond_intra_pri_DeDe - L3: doublebond_intra_secNd - L4: doublebond_intra_secNd_2H - L4: doublebond_intra_secNd_HNd - L4: doublebond_intra_secNd_HDe - L4: doublebond_intra_secNd_NdNd - L4: doublebond_intra_secNd_NdDe - L4: doublebond_intra_secNd_DeDe - L3: doublebond_intra_secDe - L4: doublebond_intra_secDe_2H - L4: doublebond_intra_secDe_HNd - L4: doublebond_intra_secDe_HDe - L4: doublebond_intra_secDe_NdNd - L4: doublebond_intra_secDe_NdDe - L4: doublebond_intra_secDe_DeDe - L2: triplebond_intra - L3: triplebond_intra_H - L3: triplebond_intra_Nd - L3: triplebond_intra_De - L2: carbonyl_intra - L3: carbonyl_intra_H - L3: carbonyl_intra_Nd - L3: carbonyl_intra_De - L2: thiyl_intra - L3: thiyl_intra_H - L3: thiyl_intra_Nd - L3: thiyl_intra_De - -L1: radadd_intra - L2: radadd_intra_cs - L3: radadd_intra_cs2H - L3: radadd_intra_csHNd - L3: radadd_intra_csHDe - L3: radadd_intra_csNdNd - L3: radadd_intra_csNdDe - L3: radadd_intra_csDeDe - L2: radadd_intra_cdsingle - L3: radadd_intra_cdsingleH - L3: radadd_intra_cdsingleNd - L3: radadd_intra_cdsingleDe - L2: radadd_intra_cddouble - L2: radadd_intra_CO - L2: radadd_intra_O - L2: radadd_intra_S - L2: radadd_intra_Cb - L2: radadd_intra_Ct diff --git a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/CVS/Entries deleted file mode 100644 index 509863ae8c..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/CVS/Entries +++ /dev/null @@ -1,5 +0,0 @@ -/dictionary.txt/1.2/Fri Aug 22 14:51:19 2008// -/forbiddenGroups.txt/1.1/Fri Aug 22 14:51:19 2008// -/rateLibrary.txt/1.3/Wed Aug 5 18:37:44 2009// -/reactionAdjList.txt/1.2/Fri Aug 22 14:51:19 2008// -/tree.txt/1.2/Fri Aug 22 14:51:19 2008// diff --git a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/CVS/Repository deleted file mode 100644 index 5085deb69c..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/Intra_R_Add_Exocyclic diff --git a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/dictionary.txt deleted file mode 100644 index 70d697bc75..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/dictionary.txt +++ /dev/null @@ -1,1822 +0,0 @@ -//f27_intra_radical_addition_to_exocyclic_radical - -Rn -Union {R4, R5, R6, R7} - -R4 -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}} {3,S} -3 *2 {Cd,Ct,CO} 0 {2,S} {4,{D,T}} -4 *3 {Cd,Ct,Od} 0 {3,{D,T}} - -R4_S -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *2 {Cd,Ct,CO} 0 {2,S} {4,{D,T}} -4 *3 {Cd,Ct,Od} 0 {3,{D,T}} - -R4_S_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} - -R4_S_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 Ct 0 {2,S} {4,T} -4 *3 Ct 0 {3,T} - -R4_S_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 CO 0 {2,S} {4,D} -4 *3 Od 0 {3,D} - -R4_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *2 {Cd,Ct,CO} 0 {2,S} {4,{D,T}} -4 *3 {Cd,Ct,Od} 0 {3,{D,T}} - -R4_D_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} - -R4_D_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *2 Ct 0 {2,S} {4,T} -4 *3 Ct 0 {3,T} - -R4_D_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *2 CO 0 {2,S} {4,D} -4 *3 Od 0 {3,D} - -R4_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *2 {Cd,Ct,CO} 0 {2,S} {4,{D,T}} -4 *3 {Cd,Ct,Od} 0 {3,{D,T}} - -R4_T_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} - -R4_T_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *2 Ct 0 {2,S} {4,T} -4 *3 Ct 0 {3,T} - -R4_T_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *2 CO 0 {2,S} {4,D} -4 *3 Od 0 {3,D} - -R4_B -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *2 {Cd,Ct,CO} 0 {2,S} {4,{D,T}} -4 *3 {Cd,Ct,Od} 0 {3,{D,T}} - -R4_B_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} - -R4_B_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *2 Ct 0 {2,S} {4,T} -4 *3 Ct 0 {3,T} - -R4_B_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *2 CO 0 {2,S} {4,D} -4 *3 Od 0 {3,D} - -R5 -Union {R5_SS,R5_SD,R5_DS,R5_ST, R5_TS,R5_SB,R5_BS} - -R5_SS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S} {5,{D,T}} -5 *3 {Cd,Ct,Od} 0 {4,{D,T}} - -R5_SS_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} - -R5_SS_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 Ct 0 {3,S} {5,T} -5 *3 Ct 0 {4,T} - -R5_SS_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 CO 0 {3,S} {5,D} -5 *3 Od 0 {4,D} - -R5_SD -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S} {3,D} -3 *5 Cd 0 {2,D} {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S} {5,{D,T}} -5 *3 {Cd,Ct,Od} 0 {4,{D,T}} - -R5_SD_D -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S} {3,D} -3 *5 Cd 0 {2,D} {4,S} -4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} - -R5_SD_T -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S} {3,D} -3 *5 Cd 0 {2,D} {4,S} -4 *2 Ct 0 {3,S} {5,T} -5 *3 Ct 0 {4,T} - -R5_SD_CO -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S} {3,D} -3 *5 Cd 0 {2,D} {4,S} -4 *2 CO 0 {3,S} {5,D} -5 *3 Od 0 {4,D} - -R5_DS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S} {5,{D,T}} -5 *3 {Cd,Ct,Od} 0 {4,{D,T}} - -R5_DS_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} - -R5_DS_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 Ct 0 {3,S} {5,T} -5 *3 Ct 0 {4,T} - -R5_DS_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 CO 0 {3,S} {5,D} -5 *3 Od 0 {4,D} - -R5_ST -1 *1 {R!H} 1 {2,S} -2 *4 Ct 0 {1,S} {3,T} -3 *5 Ct 0 {2,T} {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S} {5,{D,T}} -5 *3 {Cd,Ct,Od} 0 {4,{D,T}} - -R5_ST_D -1 *1 {R!H} 1 {2,S} -2 *4 Ct 0 {1,S} {3,T} -3 *5 Ct 0 {2,T} {4,S} -4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} - -R5_ST_T -1 *1 {R!H} 1 {2,S} -2 *4 Ct 0 {1,S} {3,T} -3 *5 Ct 0 {2,T} {4,S} -4 *2 Ct 0 {3,S} {5,T} -5 *3 Ct 0 {4,T} - -R5_ST_CO -1 *1 {R!H} 1 {2,S} -2 *4 Ct 0 {1,S} {3,T} -3 *5 Ct 0 {2,T} {4,S} -4 *2 CO 0 {3,S} {5,D} -5 *3 Od 0 {4,D} - -R5_TS -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S} {5,{D,T}} -5 *3 {Cd,Ct,Od} 0 {4,{D,T}} - -R5_TS_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} - -R5_TS_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 Ct 0 {3,S} {5,T} -5 *3 Ct 0 {4,T} - -R5_TS_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 CO 0 {3,S} {5,D} -5 *3 Od 0 {4,D} - -R5_SB -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 *5 Cb 0 {2,B} {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S} {5,{D,T}} -5 *3 {Cd,Ct,Od} 0 {4,{D,T}} - -R5_SB_D -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 *5 Cb 0 {2,B} {4,S} -4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} - -R5_SB_T -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 *5 Cb 0 {2,B} {4,S} -4 *2 Ct 0 {3,S} {5,T} -5 *3 Ct 0 {4,T} - -R5_SB_CO -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 *5 Cb 0 {2,B} {4,S} -4 *2 CO 0 {3,S} {5,D} -5 *3 Od 0 {4,D} - -R5_BS -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 {Cd,Ct,CO} 0 {3,S} {5,{D,T}} -5 *3 {Cd,Ct,Od} 0 {4,{D,T}} - -R5_BS_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} - -R5_BS_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 Ct 0 {3,S} {5,T} -5 *3 Ct 0 {4,T} - -R5_BS_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 *5 {R!H} 0 {2,S} {4,S} -4 *2 CO 0 {3,S} {5,D} -5 *3 Od 0 {4,D} - -R6 -Union {R6_RSR, R6_SMS, R6_SBB, R6_BBS} - -R6_RSR -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}} {3,S} -3 {R!H} 0 {2,S} {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_SSR -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {R!H} 0 {2,S} {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_SSS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_SSS_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_SSS_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_SSS_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R6_SSM -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_SSM_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_SSM_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_SSM_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R6_DSR -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {R!H} 0 {2,S} {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_DSS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_DSS_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_DSS_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_DSS_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R6_DSM -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_DSM_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_DSM_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_DSM_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R6_TSR -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {R!H} 0 {2,S} {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_TSS -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_TSS_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_TSS_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_TSS_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R6_TSM -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_TSM_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_TSM_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_TSM_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R6_BSR -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {R!H} 0 {2,S} {4,{S,D,T,B}} -4 *5 {R!H} 0 {3,{S,D,T,B}} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_BSS -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_BSS_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_BSS_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_BSS_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R6_BSM -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_BSM_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_BSM_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_BSM_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R6_SMS -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_SMS_D -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_SMS_T -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 {Cd,Ct,Cb} 0 {2,{D,T,B} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_SMS_CO -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R6_SBB -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 Cbf 0 {2,B} {4,B} -4 *5 Cb 0 {3,B} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_SBB_D -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 Cbf 0 {2,B} {4,B} -4 *5 Cb 0 {3,B} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_SBB_T -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 Cbf 0 {2,B} {4,B} -4 *5 Cb 0 {3,B} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_SBB_CO -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 Cbf 0 {2,B} {4,B} -4 *5 Cb 0 {3,B} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R6_BBS -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 Cb 0 {2,B} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 {Cd,Ct,CO} 0 {4,S} {6,{D,T}} -6 *3 {Cd,Ct,Od} 0 {5,{D,T}} - -R6_BBS_D -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 Cb 0 {2,B} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} - -R6_BBS_T -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 Cb 0 {2,B} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 Ct 0 {4,S} {6,T} -6 *3 Ct 0 {5,T} - -R6_BBS_CO -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 Cb 0 {2,B} {4,S} -4 *5 {R!H} 0 {3,S} {5,S} -5 *2 CO 0 {4,S} {6,D} -6 *3 Od 0 {5,D} - -R7 -Union {R7_RSSR, R7_RSMS, R7_SMSR, R7_BBSR, R7_RSBB, R7_SBBS} - -R7_RSSR -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,{S,D,T,B}} -5 *5 {R!H} 0 {4,{S,D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SSSR -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,{S,D,T,B}} -5 *5 {R!H} 0 {4,{S,D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SSSS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SSSS_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_SSSS_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_SSSS_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_SSSM -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SSSM_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_SSSM_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_SSSM_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_DSSR -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,{S,D,T,B}} -5 *5 {R!H} 0 {4,{S,D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_DSSS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_DSSS_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_DSSS_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_DSSS_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_DSSM -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_DSSM_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_DSSM_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_DSSM_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_TSSR -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,{S,D,T,B}} -5 *5 {R!H} 0 {4,{S,D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_TSSS -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_TSSS_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_TSSS_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_TSSS_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_TSSM -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_TSSM_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_TSSM_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_TSSM_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_BSSR -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,{S,D,T,B}} -5 *5 {R!H} 0 {4,{S,D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_BSSS -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_BSSS_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_BSSS_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_BSSS_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_BSSM -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_BSSM_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_BSSM_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_BSSM_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {R!H} 0 {2,S} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_RSMS -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SSMS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SSMS_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_SSMS_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_SSMS_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_DSMS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_DSMS_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_DSMS_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_DSMS_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_TSMS -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_TSMS_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_TSMS_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_TSMS_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_BSMS -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_BSMS_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_BSMS_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_BSMS_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} -4 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_SMSR -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 {R!H} 0 {3,S} {5,{S,D,T,B}} -5 *5 {R!H} 0 {4,{S,D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SMSS -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SMSS_D -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_SMSS_T -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_SMSS_CO -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_SMSM -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SMSM_D -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_SMSM_T -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_SMSM_CO -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S} {3,{D,T,B}} -3 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_BBSR -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 Cb 0 {2,B} {4,S} -4 {R!H} 0 {3,S} {5,{S,D,T,B}} -5 *5 {R!H} 0 {4,{S,D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_BBSS -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 Cb 0 {2,B} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_BBSS_D -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 Cb 0 {2,B} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_BBSS_T -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 Cb 0 {2,B} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_BBSS_CO -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 Cb 0 {2,B} {4,S} -4 {R!H} 0 {3,S} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_BBSM -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 Cb 0 {2,B} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_BBSM_D -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 Cb 0 {2,B} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_BBSM_T -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 Cb 0 {2,B} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_BBSM_CO -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B} {3,B} -3 Cb 0 {2,B} {4,S} -4 {Cd,Ct,Cb} 0 {3,S} {5,{D,T,B}} -5 *5 {Cd,Ct,Cb} 0 {4,{D,T,B}} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_RSBB -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B} {3,S} -3 Cb 0 {2,S} {4,B} -4 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SSBB -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 Cb 0 {2,S} {4,B} -4 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SSBB_D -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 Cb 0 {2,S} {4,B} -4 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_SSBB_T -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 Cb 0 {2,S} {4,B} -4 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_SSBB_CO -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 Cb 0 {2,S} {4,B} -4 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_DSBB -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 Cb 0 {2,S} {4,B} -4 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_DSBB_D -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 Cb 0 {2,S} {4,B} -4 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_DSBB_T -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 Cb 0 {2,S} {4,B} -4 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_DSBB_CO -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D} {3,S} -3 Cb 0 {2,S} {4,B} -4 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_TSBB -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 Cb 0 {2,S} {4,B} -4 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_TSBB_D -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 Cb 0 {2,S} {4,B} -4 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_TSBB_T -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 Cb 0 {2,S} {4,B} -4 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_TSBB_CO -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} {3,S} -3 Cb 0 {2,S} {4,B} -4 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_BSBB -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 Cb 0 {2,S} {4,B} -4 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_BSBB_D -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 Cb 0 {2,S} {4,B} -4 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_BSBB_T -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 Cb 0 {2,S} {4,B} -4 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_BSBB_CO -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B} {3,S} -3 Cb 0 {2,S} {4,B} -4 Cbf 0 {3,B} {5,B} -5 *5 Cb 0 {4,B} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -R7_SBBS -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 Cbf 0 {2,B} {4,B} -4 Cb 0 {3,B} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 {Cd,Ct,CO} 0 {5,S} {7,{D,T}} -7 *3 {Cd,Ct,Od} 0 {6,{D,T}} - -R7_SBBS_D -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 Cbf 0 {2,B} {4,B} -4 Cb 0 {3,B} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} - -R7_SBBS_T -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 Cbf 0 {2,B} {4,B} -4 Cb 0 {3,B} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 Ct 0 {5,S} {7,T} -7 *3 Ct 0 {6,T} - -R7_SBBS_CO -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S} {3,B} -3 Cbf 0 {2,B} {4,B} -4 Cb 0 {3,B} {5,S} -5 *5 {R!H} 0 {4,S} {6,S} -6 *2 CO 0 {5,S} {7,D} -7 *3 Od 0 {6,D} - -multiplebond_intra -1 *2 {Cd,Ct,CO} 0 {2,{D,T}} -2 *3 {Cd,Ct,Od} 0 {1,{D,T}} - -doublebond_intra -1 *2 Cd 0 {2,D} -2 *3 Cd 0 {1,D} - -doublebond_intra_2H -1 *2 Cd 0 {2,D} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 H 0 {2,S} -4 H 0 {2,S} - -doublebond_intra_2H_pri -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} - -doublebond_intra_2H_secNd -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cs,O} 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} - -doublebond_intra_2H_secDe -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} - -doublebond_intra_HNd -1 *2 Cd 0 {2,D} -2 *3 Cd 0 {1,D} {4,S} {3,S} -3 H 0 {2,S} -4 {Cs,O} 0 {2,S} - -doublebond_intra_HNd_pri -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 {Cs,O} 0 {2,S} - -doublebond_intra_HNd_secNd -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cs,O} 0 {1,S} -4 H 0 {2,S} -5 {Cs,O} 0 {2,S} - -doublebond_intra_HNd_secDe -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {2,S} -5 {Cs,O} 0 {2,S} - -doublebond_intra_HDe -1 *2 Cd 0 {2,D} -2 *3 Cd 0 {1,D} {4,S} {3,S} -3 H 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_HDe_pri -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_HDe_secNd -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cs,O} 0 {1,S} -4 H 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_HDe_secDe -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_NdNd -1 *2 Cd 0 {2,D} -2 *3 Cd 0 {1,D} {3,S} {4,S} -3 {Cs,O} 0 {2,S} -4 {Cs,O} 0 {2,S} - -doublebond_intra_NdNd_pri -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 {Cs,O} 0 {2,S} -5 {Cs,O} 0 {2,S} - -doublebond_intra_NdNd_secNd -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {2,S} -5 {Cs,O} 0 {2,S} - -doublebond_intra_NdNd_secDe -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {2,S} -5 {Cs,O} 0 {2,S} - -doublebond_intra_NdDe -1 *2 Cd 0 {2,D} -2 *3 Cd 0 {1,D} {4,S} {3,S} -3 {Cs,O} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_NdDe_pri -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 {Cs,O} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_NdDe_secNd -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_NdDe_secDe -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_DeDe -1 *2 Cd 0 {2,D} -2 *3 Cd 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_DeDe_pri -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_DeDe_secNd -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -doublebond_intra_DeDe_secDe -1 *2 Cd 0 {2,D} {3,S} -2 *3 Cd 0 {1,D} {4,S} {5,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -triplebond_intra -1 *2 Ct 0 {2,T} -2 *3 Ct 0 {1,T} - -triplebond_intra_H -1 *2 Ct 0 {2,T} -2 *3 Ct 0 {1,T} {3,S} -3 H 0 {2,S} - -triplebond_intra_Nd -1 *2 Ct 0 {2,T} -2 *3 Ct 0 {1,T} {3,S} -3 {Cs,O} 0 {2,S} - -triplebond_intra_De -1 *2 Ct 0 {2,T} -2 *3 Ct 0 {1,T} {3,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} - -carbonylbond_intra -1 *2 CO 0 {2,D} -2 *3 Od 0 {1,D} - -carbonylbond_intra_H -1 *2 CO 0 {2,D} {3,S} -2 *3 Od 0 {1,D} -3 H 0 {1,S} - -carbonylbond_intra_Nd -1 *2 CO 0 {2,D} {3,S} -2 *3 Od 0 {1,D} -3 {Cs,O} 0 {1,S} - -carbonylbond_intra_De -1 *2 CO 0 {2,D} {3,S} -2 *3 Od 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -radadd_intra -1 *1 {R!H} 1 - -radadd_intra_cs -1 *1 Cs 1 - -radadd_intra_cs2H -1 *1 Cs 1 {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -radadd_intra_csHNd -1 *1 Cs 1 {2,S} {3,S} -2 H 0 {1,S} -3 {Cs,O} 0 {1,S} - -radadd_intra_csHDe -1 *1 Cs 1 {2,S} {3,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -radadd_intra_csNdNd -1 *1 Cs 1 {2,S} {3,S} -2 {Cs,O} 0 {1,S} -3 {Cs,O} 0 {1,S} - -radadd_intra_csNdDe -1 *1 Cs 1 {2,S} {3,S} -2 {Cs,O} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -radadd_intra_csDeDe -1 *1 Cs 1 {2,S} {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -radadd_intra_cdsingle -1 *1 Cd 1 {2,S} -2 R 0 {1,S} - -radadd_intra_cdsingleH -1 *1 Cd 1 {2,S} -2 H 0 {1,S} - -radadd_intra_cdsingleNd -1 *1 Cd 1 {2,S} -2 {Cs,O} 0 {1,S} - -radadd_intra_cdsingleDe -1 *1 Cd 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -radadd_intra_cddouble -1 *1 Cd 1 {2,D} -2 Cd 0 {1,D} - -radadd_intra_CO -1 *1 CO 1 {2,D} -2 O 0 {1,D} - -radadd_intra_O -1 *1 O 1 - -radadd_intra_Cb -1 *1 Cb 1 - -radadd_intra_Ct -1 *1 Ct 1 {2,T} -2 Ct 0 {1,T} - - - - diff --git a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/forbiddenGroups.txt b/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/forbiddenGroups.txt deleted file mode 100644 index 58ef9aaa91..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/forbiddenGroups.txt +++ /dev/null @@ -1,7 +0,0 @@ -cdd2 -1 *2 Cdd 0 - -bond21 -1 *2 R!H 0 {2,{S,D}} -2 *1 R!H 1 {1,{S,D}} - diff --git a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/rateLibrary.txt deleted file mode 100644 index 6bdcb116b6..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/rateLibrary.txt +++ /dev/null @@ -1,20 +0,0 @@ -// rate library for f27: intra radical addition to form exocyclic radical -// original from rate library.txt, CDW 10/20/2002 - -// JS, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// f27 intra_radical_addition_form_exocyclic_radical - -// Rn multiplebond_intra radadd_intra Temp. A n a E0 DA Dn Da DE0 Rank Comments -807. Rn multiplebond_intra radadd_intra 300-1500 1E+10 0 0 5 0 0 0 0 0 -808. R6_SSS_D doublebond_intra_2H_pri radadd_intra_cs2H 300-1500 2.51E+10 0 0 6.85 0 0 0 0 2 -809. R4_S_D doublebond_intra_2H_pri radadd_intra_csHDe 300-1500 1.00E+10 0 0 25.85 0 0 0 0 2 -810. R6_SMS_D doublebond_intra radadd_intra_cs 300-1500 1E+10 0 0 46.85 0 0 0 0 2 -811. R6_SSM_D doublebond_intra radadd_intra_cs 300-1500 1E+10 0 0 46.85 0 0 0 0 2 -812. R5_SD_D doublebond_intra_HNd_pri radadd_intra_csHNd 300-1500 1E+10 0 0 46.85 0 0 0 0 2 - - - - - diff --git a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/reactionAdjList.txt deleted file mode 100644 index 405d313981..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/reactionAdjList.txt +++ /dev/null @@ -1,22 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 31, 2003 // -// // -////////////////////////////////////////////////////// - - -// f27 Intra radical addition to a double/triple bond to form an exo-cyclic radical - -Rn -> RnCycle - -forward -reverse(f28): Ring_Open_Exo_Cycli_Radical - -Actions 1 -(1) CHANGE_BOND {*2,-1,*3} -(2) FORM_BOND {*1,S,*2} -(2) LOSE_RADICAL {*1,1} -(3) GAIN_RADICAL {*3,1} - diff --git a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/tree.txt b/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/tree.txt deleted file mode 100644 index 9c0e641dd3..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Intra_R_Add_Exocyclic/tree.txt +++ /dev/null @@ -1,248 +0,0 @@ -// intramolecular addition to form an exo radical -//R(.)()nR'<->R" ---->R()nR'<->(-1)R"(.) - -// f27_intramolecular addition to form exocyclic radical -L1: Rn - L2: R4 - L3: R4_S - L4: R4_S_D - L4: R4_S_T - L4: R4_S_CO - L3: R4_D - L4: R4_D_D - L4: R4_D_T - L4: R4_D_CO - L3: R4_T - L4: R4_T_D - L4: R4_T_T - L4: R4_T_CO - L3: R4_B - L4: R4_B_D - L4: R4_B_T - L4: R4_B_CO - L2: R5 - L3: R5_SS - L4: R5_SS_D - L4: R5_SS_T - L4: R5_SS_CO - L3: R5_SD - L4: R5_SD_D - L4: R5_SD_T - L4: R5_SD_CO - L3: R5_DS - L4: R5_DS_D - L4: R5_DS_T - L4: R5_DS_CO - L3: R5_ST - L4: R5_ST_D - L4: R5_ST_T - L4: R5_ST_CO - L3: R5_TS - L4: R5_TS_D - L4: R5_TS_T - L4: R5_TS_CO - L3: R5_SB - L4: R5_SB_D - L4: R5_SB_T - L4: R5_SB_CO - L3: R5_BS - L4: R5_BS_D - L4: R5_BS_T - L4: R5_BS_CO - L2: R6 - L3: R6_RSR - L4: R6_SSR - L5: R6_SSS - L6: R6_SSS_D - L6: R6_SSS_T - L6: R6_SSS_CO - L5: R6_SSM - L6: R6_SSM_D - L6: R6_SSM_T - L6: R6_SSM_CO - L4: R6_DSR - L5: R6_DSS - L6: R6_DSS_D - L6: R6_DSS_T - L6: R6_DSS_CO - L5: R6_DSM - L6: R6_DSM_D - L6: R6_DSM_T - L6: R6_DSM_CO - L4: R6_TSR - L5: R6_TSS - L6: R6_TSS_D - L6: R6_TSS_T - L6: R6_TSS_CO - L5: R6_TSM - L6: R6_TSM_D - L6: R6_TSM_T - L6: R6_TSM_CO - L4: R6_BSR - L5: R6_BSS - L6: R6_BSS_D - L6: R6_BSS_T - L6: R6_BSS_CO - L5: R6_BSM - L6: R6_BSM_D - L6: R6_BSM_T - L6: R6_BSM_CO - L3: R6_SMS - L4: R6_SMS_D - L4: R6_SMS_T - L4: R6_SMS_CO - L3: R6_SBB - L4: R6_SBB_D - L4: R6_SBB_T - L4: R6_SBB_CO - L3: R6_BBS - L4: R6_BBS_D - L4: R6_BBS_T - L4: R6_BBS_CO -L2: R7 - L3: R7_RSSR - L4: R7_SSSR - L5: R7_SSSS - L6: R7_SSSS_D - L6: R7_SSSS_T - L6: R7_SSSS_CO - L5: R7_SSSM - L6: R7_SSSM_D - L6: R7_SSSM_T - L6: R7_SSSM_CO - L4: R7_DSSR - L5: R7_DSSS - L6: R7_DSSS_D - L6: R7_DSSS_T - L6: R7_DSSS_CO - L5: R7_DSSM - L6: R7_DSSM_D - L6: R7_DSSM_T - L6: R7_DSSM_CO - L4: R7_TSSR - L5: R7_TSSS - L6: R7_TSSS_D - L6: R7_TSSS_T - L6: R7_TSSS_CO - L5: R7_TSSM - L6: R7_TSSM_D - L6: R7_TSSM_T - L6: R7_TSSM_CO - L4: R7_BSSR - L5: R7_BSSS - L6: R7_BSSS_D - L6: R7_BSSS_T - L6: R7_BSSS_CO - L5: R7_BSSM - L6: R7_BSSM_D - L6: R7_BSSM_T - L6: R7_BSSM_CO - L3: R7_RSMS - L4: R7_SSMS - L5: R7_SSMS_D - L5: R7_SSMS_T - L5: R7_SSMS_CO - L4: R7_DSMS - L5: R7_DSMS_D - L5: R7_DSMS_T - L5: R7_DSMS_CO - L4: R7_TSMS - L5: R7_TSMS_D - L5: R7_TSMS_T - L5: R7_TSMS_CO - L4: R7_BSMS - L5: R7_BSMS_D - L5: R7_BSMS_T - L5: R7_BSMS_CO - L3: R7_SMSR - L4: R7_SMSS - L5: R7_SMSS_D - L5: R7_SMSS_T - L5: R7_SMSS_CO - L4: R7_SMSM - L5: R7_SMSM_D - L5: R7_SMSM_T - L5: R7_SMSM_CO - L3: R7_BBSR - L4: R7_BBSS - L5: R7_BBSS_D - L5: R7_BBSS_T - L5: R7_BBSS_CO - L4: R7_BBSM - L5: R7_BBSM_D - L5: R7_BBSM_T - L5: R7_BBSM_CO - L3: R7_RSBB - L4: R7_SSBB - L5: R7_SSBB_D - L5: R7_SSBB_T - L5: R7_SSBB_CO - L4: R7_DSBB - L5: R7_DSBB_D - L5: R7_DSBB_T - L5: R7_DSBB_CO - L4: R7_TSBB - L5: R7_TSBB_D - L5: R7_TSBB_T - L5: R7_TSBB_CO - L4: R7_BSBB - L5: R7_BSBB_D - L5: R7_BSBB_T - L5: R7_BSBB_CO - L3: R7_SBBS - L4: R7_SBBS_D - L4: R7_SBBS_T - L4: R7_SBBS_CO - -L1: multiplebond_intra - L2: doublebond_intra - L3: doublebond_intra_2H - L4: doublebond_intra_2H_pri - L4: doublebond_intra_2H_secNd - L4: doublebond_intra_2H_secDe - L3: doublebond_intra_HNd - L4: doublebond_intra_HNd_pri - L4: doublebond_intra_HNd_secNd - L4: doublebond_intra_HNd_secDe - L3: doublebond_intra_HDe - L4: doublebond_intra_HDe_pri - L4: doublebond_intra_HDe_secNd - L4: doublebond_intra_HDe_secDe - L3: doublebond_intra_NdNd - L4: doublebond_intra_NdNd_pri - L4: doublebond_intra_NdNd_secNd - L4: doublebond_intra_NdNd_secDe - L3: doublebond_intra_NdDe - L4: doublebond_intra_NdDe_pri - L4: doublebond_intra_NdDe_secNd - L4: doublebond_intra_NdDe_secDe - L3: doublebond_intra_DeDe - L4: doublebond_intra_DeDe_pri - L4: doublebond_intra_DeDe_secNd - L4: doublebond_intra_DeDe_secDe - L2: triplebond_intra - L3: triplebond_intra_H - L3: triplebond_intra_Nd - L3: triplebond_intra_De - L2: carbonylbond_intra - L3: carbonylbond_intra_H - L3: carbonylbond_intra_Nd - L3: carbonylbond_intra_De - - L1: radadd_intra - L2: radadd_intra_cs - L3: radadd_intra_cs2H - L3: radadd_intra_csHNd - L3: radadd_intra_csHDe - L3: radadd_intra_csNdNd - L3: radadd_intra_csNdDe - L3: radadd_intra_csDeDe - L2: radadd_intra_cdsingle - L3: radadd_intra_cdsingleH - L3: radadd_intra_cdsingleNd - L3: radadd_intra_cdsingleDe - L2: radadd_intra_cddouble - L2: radadd_intra_CO - L2: radadd_intra_O - L2: radadd_intra_Cb - L2: radadd_intra_Ct diff --git a/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/CVS/Entries deleted file mode 100644 index 0b34239e7c..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/CVS/Entries +++ /dev/null @@ -1,4 +0,0 @@ -/dictionary.txt/1.3/Fri Jun 12 21:36:57 2009// -/rateLibrary.txt/1.2/Wed Aug 5 18:37:44 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.1/Mon Jun 1 19:01:21 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/CVS/Repository deleted file mode 100644 index e9e729072b..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/Oa_R_Recombination diff --git a/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/dictionary.txt deleted file mode 100644 index cf56020622..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/dictionary.txt +++ /dev/null @@ -1,262 +0,0 @@ -// Oa_Radical Recombination -// JS, July, 22, 2003 - -Y_rad -1 *1 R 1 - -H_rad -1 *1 H 1 - -Cs_rad -1 *1 C 1 - -C_methyl -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C_pri_rad -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H2/Cs -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H2/Cd -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cd 0 {1,S} - -C_rad/H2/Ct -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Ct 0 {1,S} - -C_rad/H2/Cb -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cb 0 {1,S} - -C_rad/H2/CO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 CO 0 {1,S} - -C_rad/H2/O -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} - -C_sec_rad -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H/NonDeC -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/H/NonDeO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/H/CsO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 O 0 {1,S} - -C_rad/H/O2 -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 O 0 {1,S} -4 O 0 {1,S} - -C_rad/H/OneDe -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/H/OneDeC -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/OneDeO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} - -C_rad/H/TwoDe -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -C_ter_rad -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {R!H} 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/NonDeC -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cs,O} 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/Cs3 -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/NDMustO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 O 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/OneDe -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/Cs2 -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/ODMustO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/TwoDe -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/Cs -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -C_rad/TDMustO -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} - -C_rad/ThreeDe -1 *1 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_rad -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -Cd_pri_rad -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -Cd_sec_rad -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {R!H} 0 {1,S} - -Cd_rad/NonDe -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {Cs,O} 0 {1,S} - -Cd_rad/OneDe -1 *1 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Ct_rad -1 *1 C 1 {2,T} -2 C 0 {1,T} - -Cb_rad -1 *1 Cb 1 {2,B}, {3,B} -2 {Cb,Cbf} 0 {1,B} -3 {Cb,Cbf} 0 {1,B} - -CO_rad -1 *1 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 R 0 {1,S} - -CO_pri_rad -1 *1 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 H 0 {1,S} - -CO_sec_rad -1 *1 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {R!H} 0 {1,S} - -CO_rad/NonDe -1 *1 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cs,O} 0 {1,S} - -CO_rad/OneDe -1 *1 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -O_rad -1 *1 O 1 {2,S} -2 R 0 {1,S} - -O_pri_rad -1 *1 O 1 {2,S} -2 H 0 {1,S} - -O_sec_rad -1 *1 O 1 {2,S} -2 {R!H} 0 {1,S} - -O_rad/NonDe -1 *1 O 1 {2,S} -2 {Cs,O} 0 {1,S} - -O_rad/OneDe -1 *1 O 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -Oa -1 *2 O 2T - diff --git a/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/rateLibrary.txt deleted file mode 100644 index 63cc8c323f..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/rateLibrary.txt +++ /dev/null @@ -1,8 +0,0 @@ -// Oa recomb with R. -// JS, July,22, 2003 - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -//No. Y_rad Oa Temp. A N a E0 DA Dn Da DE0 Rank -1000 Y_rad Oa 300-1500 1E13 0 0 0 0 0 0 0 2 diff --git a/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/reactionAdjList.txt deleted file mode 100644 index 13442a5bb1..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/reactionAdjList.txt +++ /dev/null @@ -1,21 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jul 22, 2003 // -// // -////////////////////////////////////////////////////// - - -// Oa Radical Recombination - -Y_rad + Oa -> YO. - -forward -reverse(f08): RO_Bond_Dissociation - -Actions 1 -(1) FORM_BOND {*1,S,*2} -(2) LOSE_RADICAL {*1,1} -(3) LOSE_RADICAL {*2,1} - diff --git a/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/tree.txt b/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/tree.txt deleted file mode 100644 index 0935c1cca3..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/Oa_R_Recombination/tree.txt +++ /dev/null @@ -1,54 +0,0 @@ -// Oa_Radical Recombination -// JS, July, 22, 2003 - -L1: Y_rad - L2: H_rad - L2: Cs_rad - L3: C_methyl - L3: C_pri_rad - L4: C_rad/H2/Cs - L4: C_rad/H2/Cd - L4: C_rad/H2/Ct - L4: C_rad/H2/Cb - L4: C_rad/H2/CO - L4: C_rad/H2/O - L3: C_sec_rad - L4: C_rad/H/NonDeC - L4: C_rad/H/NonDeO - L5: C_rad/H/CsO - L5: C_rad/H/O2 - L4: C_rad/H/OneDe - L5: C_rad/H/OneDeC - L5: C_rad/H/OneDeO - L4: C_rad/H/TwoDe - L3: C_ter_rad - L4: C_rad/NonDeC - L5: C_rad/Cs3 - L5: C_rad/NDMustO - L4: C_rad/OneDe - L5: C_rad/Cs2 - L5: C_rad/ODMustO - L4: C_rad/TwoDe - L5: C_rad/Cs - L5: C_rad/TDMustO - L4: C_rad/ThreeDe - L2: Cd_rad - L3: Cd_pri_rad - L3: Cd_sec_rad - L4: Cd_rad/NonDe - L4: Cd_rad/OneDe - L2: Ct_rad - L2: Cb_rad - L2: CO_rad - L3: CO_pri_rad - L3: CO_sec_rad - L4: CO_rad/NonDe - L4: CO_rad/OneDe - L2: O_rad - L3: O_pri_rad - L3: O_sec_rad - L4: O_rad/NonDe - L4: O_rad/OneDe - - -L1: Oa \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/CVS/Entries deleted file mode 100644 index 544c2f8e9b..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/CVS/Entries +++ /dev/null @@ -1,5 +0,0 @@ -/comments.txt/1.1/Wed Aug 5 18:25:54 2009// -/dictionary.txt/1.3/Tue Jun 9 16:08:43 2009// -/rateLibrary.txt/1.2/Wed Aug 5 18:37:43 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.1/Mon Jun 1 19:01:21 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/CVS/Repository deleted file mode 100644 index fa8fec7721..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/R_Addition_COm diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/comments.txt b/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/comments.txt deleted file mode 100644 index ef72147b22..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/comments.txt +++ /dev/null @@ -1,31 +0,0 @@ -417: [102] Arai, H.; Nagai, S.; Hatada, M.; Radiat. Phys. Chem. 1981, 17, 211. - CO + H --> HCO. Data estimated - -418: [103] Gordon, E.B.; Ivanov, B.I; Perminov, A.P; Balalaev, V.E. Chem. Phys. 1978, 35, 79. - CO + H --> HCO. - Absolute value measured directly with flash photolysis technique. Rate constant is an upper limit. - -419: [94] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Frank, P.; Hayman, G,; Just, T.; Kerr, J.A.; Murrells, T.; Pilling, M.J.; - Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1994, 23, 847. - CO + CH3 --> CH3C0. Extensive literature review. - pg 871 Evaluated Kinetic Data for Combustion Modelling Supplement 1, Table 3. Combination reactions. - RMG data matches reference data for k(infinity). - Verified by Karma James - -420: [89] Tsang, W.; Hampson, R.F. J.Phys. Chem. Ref. Data 1986, 15, 1087. - CO + C2H5 --> C2H5CO. - pg 1096, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 17,14. - Verified by Karma James - -421: [89] Tsang, W.; Hampson, R.F. J.Phys. Chem. Ref. Data 1986, 15, 1087. - CO + C2H3 --> CH2=CHCO. - pg 1099, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 19,14. - Verified by Karma James - -422: [104] Nam, G.-J.; Xia, W.; Park, J.; Lin, M. Phys. Chem. A 2000, 104, 1233. - Phenyl + CO --> Benzoyl. Original deltaA = 2.8E+11 - Absolute value measrued directly. Rate constant is high pressure limit. - Pressure 0.02-0.16 atm. Excitation: flash photolysis, analysis: Vis-UV absorption. - -423: [105] Wang, B.; Hou, H.; Gu, Y. Phys. Chem. A 1999, 103, 8021. - RRK(M) extrapolation. CH3O + CO --> CH3OCO, 250K and 2500K \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/dictionary.txt deleted file mode 100644 index 821a137d23..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/dictionary.txt +++ /dev/null @@ -1,261 +0,0 @@ -// f04 Radical Addition to COm -// SR, Jan. 30, 2003 -// JS, get rid of *2 O, since O does not participate in the reaction, 1/31/2003 - -COm -1 *1 C 2 {2,D} -2 O 0 {1,D} - -Y_rad -1 *2 R 1 - -H_rad -1 *2 H 1 - -Cs_rad -1 *2 C 1 - -C_methyl -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C_pri_rad -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H2/Cs -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H2/Cd -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cd 0 {1,S} - -C_rad/H2/Ct -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Ct 0 {1,S} - -C_rad/H2/Cb -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cb 0 {1,S} - -C_rad/H2/CO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 CO 0 {1,S} - -C_rad/H2/O -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} - -C_sec_rad -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H/NonDeC -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/H/NonDeO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/H/CsO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 O 0 {1,S} - -C_rad/H/O2 -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 O 0 {1,S} -4 O 0 {1,S} - -C_rad/H/OneDe -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/H/OneDeC -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/OneDeO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} - -C_rad/H/TwoDe -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -C_ter_rad -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {R!H} 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/NonDeC -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cs,O} 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/Cs3 -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/NDMustO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 O 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/OneDe -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/OD_Cs2 -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/ODMustO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/TwoDe -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/TD_Cs -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -C_rad/TDMustO -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} - -C_rad/ThreeDe -1 *2 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_rad -1 *2 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -Cd_pri_rad -1 *2 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -Cd_sec_rad -1 *2 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {R!H} 0 {1,S} - -Cd_rad/NonDe -1 *2 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {Cs,O} 0 {1,S} - -Cd_rad/OneDe -1 *2 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Ct_rad -1 *2 C 1 {2,T} -2 C 0 {1,T} - -Cb_rad -1 *2 Cb 1 {2,B}, {3,B} -2 {Cb,Cbf} 0 {1,B} -3 {Cb,Cbf} 0 {1,B} - -CO_rad -1 *2 C 1 {2,D} -2 O 0 {1,D} - -CO_pri_rad -1 *2 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 H 0 {1,S} - -CO_sec_rad -1 *2 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {R!H} 0 {1,S} - -CO_rad/NonDe -1 * C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cs,O} 0 {1,S} - -CO_rad/OneDe -1 *2 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -O_rad -1 *2 O 1 - -O_pri_rad -1 *2 O 1 {2,S} -2 H 0 {1,S} - -O_sec_rad -1 *2 O 1 {2,S} -2 {R!H} 0 {1,S} - -O_rad/NonDe -1 *2 O 1 {2,S} -2 {Cs,O} 0 {1,S} - -O_rad/OneDe -1 *2 O 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/rateLibrary.txt deleted file mode 100644 index e85ea9dc26..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/rateLibrary.txt +++ /dev/null @@ -1,19 +0,0 @@ -// rate library for f04: radical addition to COm - -// Catherina Wijaya thesis, pg 155 - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// f04_radical_addition_to_COm -// rate constants from rate_library_4.txt, Cath, 03/07/28 - -//No. COm Y_rad Temp. A n a E0 DA Dn Da DE0 Rank Comments -416. COm Y_rad 300-1500 1E+11 0 0 5 0 0 0 0 0 -417. COm H_rad 345-449 1.18E+11 0 0 2.72 0 0 0 0 4 Arai et al [102]. -418. COm H_rad 305-375 1.87E+11 0 0 1.53 0 0 0 0 3 Gordon et al [103]. -419. COm C_methyl 300-500 5.06E+11 0 0 6.88 *3.16 0 0 0 4 Baulch et al. [94] -420. COm C_rad/H2/Cs 300-2500 1.51E+11 0 0 4.81 *2.0 0 0 0 4 Tsang et al [89] literature review. -421. COm Cd_pri_rad 300-2500 1.51E+11 0 0 4.81 *5.0 0 0 0 4 Tsang et al [89] literature review. -422. COm Cb_rad 295-500 8.51E+11 0 0 2.99 *1.5 0 0 0.22 3 Nam et al [104]. -423. COm O_rad/NonDe 250-2500 3.41E+07 0 0 3.0 0 0 0 0 5 Wang et al. [105]. diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/reactionAdjList.txt deleted file mode 100644 index 8d74242bb0..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/reactionAdjList.txt +++ /dev/null @@ -1,21 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 31, 2003 // -// // -////////////////////////////////////////////////////// - - -// f04 Radical addition to COm (similar to radical recombination) - -COm + Y_rad -> YC.=O - -forward -reverse(f05): COM_Elimination_From_Carbonyl - -Actions 1 -(1) FORM_BOND {*1,S,*2} -(2) LOSE_RADICAL {*1,1} -(3) LOSE_RADICAL {*2,1} - diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/tree.txt b/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/tree.txt deleted file mode 100644 index 65e0dc1d70..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Addition_COm/tree.txt +++ /dev/null @@ -1,55 +0,0 @@ -// dictionary for f04: Radical Addition to Carbon Monoxide molecule -// SR, Jan. 30, 2003 -// JS, correct typo: change "L5: C_rad/H/TwoDe" into "L4: C_rad/H/TwoDe", 2/3/2003 - -// f04_Radical_addition_to_COm - -L1: COm - -L1: Y_rad - L2: H_rad - L2: Cs_rad - L3: C_methyl - L3: C_pri_rad - L4: C_rad/H2/Cs - L4: C_rad/H2/Cd - L4: C_rad/H2/Ct - L4: C_rad/H2/Cb - L4: C_rad/H2/CO - L4: C_rad/H2/O - L3: C_sec_rad - L4: C_rad/H/NonDeC - L4: C_rad/H/NonDeO - L5: C_rad/H/CsO - L5: C_rad/H/O2 - L4: C_rad/H/OneDe - L5: C_rad/H/OneDeC - L5: C_rad/H/OneDeO - L4: C_rad/H/TwoDe - L3: C_ter_rad - L4: C_rad/NonDeC - L5: C_rad/Cs3 - L5: C_rad/NDMustO - L4: C_rad/OneDe - L5: C_rad/OD_Cs2 - L5: C_rad/ODMustO - L4: C_rad/TwoDe - L5: C_rad/TD_Cs - L5: C_rad/TDMustO - L4: C_rad/ThreeDe - L2: Cd_rad - L3: Cd_pri_rad - L3: Cd_sec_rad - L4: Cd_rad/NonDe - L4: Cd_rad/OneDe - L2: Ct_rad - L2: Cb_rad - L2: CO_rad - L3: CO_pri_rad - L3: CO_sec_rad - L2: O_rad - L3: O_pri_rad - L3: O_sec_rad - L4: O_rad/NonDe - L4: O_rad/OneDe - diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/CBS-QB3 Library.txt b/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/CBS-QB3 Library.txt deleted file mode 100644 index 10a4c4d9a7..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/CBS-QB3 Library.txt +++ /dev/null @@ -1,2538 +0,0 @@ -// rate library for f02: Radical addition to multiple bond -// original from rate_library_4.txt. Cath. 03/07/28 - -// JS. define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -1 Cds-HH_Cds-HH CsJ-HHH 300-1500 2.09E+04 2.41 0 5.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2 Cds-HH_Cds-HH CsJ-CsHH 300-1500 2.12E+03 2.41 0 5.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -3 Cds-HH_Cds-HH CsJ-CsCsH 300-1500 1.70E+03 2.41 0 3.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -4 Cds-HH_Cds-HH CsJ-CsCsCs 300-1500 1.26E+03 2.41 0 2.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -5 Cds-HH_Cds-HH CsJ-CdHH 300-1500 2.21E+04 2.41 0 11.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -6 Cds-HH_Cds-HH CsJ-CdCsH 300-1500 3.84E+03 2.41 0 11.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -7 Cds-HH_Cds-HH CsJ-CdCsCs 300-1500 4.97E+02 2.41 0 10.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -8 Cds-HH_Cds-HH CsJ-CdCdH 300-1500 7.75E+03 2.41 0 16.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -9 Cds-HH_Cds-HH CsJ-CdCdCs 300-1500 2.65E+03 2.41 0 16.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -10 Cds-HH_Cds-HH CsJ-CbHH 300-1500 1.02E+04 2.41 0 9.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -11 Cds-HH_Cds-HH CsJ-CbCsH 300-1500 2.52E+03 2.41 0 8.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -12 Cds-HH_Cds-HH CsJ-CbCsCs 300-1500 4.03E+02 2.41 0 8.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -13 Cds-HH_Cds-HH CsJ-CtHH 300-1500 9.46E+03 2.41 0 9.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -14 Cds-HH_Cds-HH CsJ-CtCsH 300-1500 2.13E+03 2.41 0 8.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -15 Cds-HH_Cds-HH CsJ-CtCsCs 300-1500 5.44E+02 2.41 0 8.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -16 Cds-HH_Cds-HH CdsJ-H 300-1500 1.43E+04 2.41 0 1.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -17 Cds-HH_Cds-HH CdsJ-Cs 300-1500 7.59E+03 2.41 0 1.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -18 Cds-HH_Cds-HH CbJ 300-1500 2.26E+04 2.41 0 -0.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -19 Cds-HH_Cds-CsH CsJ-HHH 300-1500 2.10E+04 2.41 0 5.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -20 Cds-HH_Cds-CsH CsJ-CsHH 300-1500 2.13E+03 2.41 0 4.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -21 Cds-HH_Cds-CsH CsJ-CsCsH 300-1500 1.71E+03 2.41 0 3.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -22 Cds-HH_Cds-CsH CsJ-CsCsCs 300-1500 1.27E+03 2.41 0 2.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -23 Cds-HH_Cds-CsH CsJ-CdHH 300-1500 2.22E+04 2.41 0 11.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -24 Cds-HH_Cds-CsH CsJ-CdCsH 300-1500 3.86E+03 2.41 0 11.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -25 Cds-HH_Cds-CsH CsJ-CdCsCs 300-1500 4.99E+02 2.41 0 10.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -26 Cds-HH_Cds-CsH CsJ-CdCdH 300-1500 7.78E+03 2.41 0 16.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -27 Cds-HH_Cds-CsH CsJ-CdCdCs 300-1500 2.66E+03 2.41 0 15.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -28 Cds-HH_Cds-CsH CsJ-CbHH 300-1500 1.03E+04 2.41 0 9.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -29 Cds-HH_Cds-CsH CsJ-CbCsH 300-1500 2.53E+03 2.41 0 8.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -30 Cds-HH_Cds-CsH CsJ-CbCsCs 300-1500 4.04E+02 2.41 0 8.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -31 Cds-HH_Cds-CsH CsJ-CtHH 300-1500 9.50E+03 2.41 0 9.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -32 Cds-HH_Cds-CsH CsJ-CtCsH 300-1500 2.14E+03 2.41 0 8.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -33 Cds-HH_Cds-CsH CsJ-CtCsCs 300-1500 5.46E+02 2.41 0 7.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -34 Cds-HH_Cds-CsH CdsJ-H 300-1500 1.44E+04 2.41 0 1.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -35 Cds-HH_Cds-CsH CdsJ-Cs 300-1500 7.62E+03 2.41 0 1.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -36 Cds-HH_Cds-CsH CbJ 300-1500 2.27E+04 2.41 0 -0.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -37 Cds-HH_Cds-CsCs CsJ-HHH 300-1500 2.64E+04 2.41 0 4.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -38 Cds-HH_Cds-CsCs CsJ-CsHH 300-1500 2.68E+03 2.41 0 4.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -39 Cds-HH_Cds-CsCs CsJ-CsCsH 300-1500 2.15E+03 2.41 0 3.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -40 Cds-HH_Cds-CsCs CsJ-CsCsCs 300-1500 1.59E+03 2.41 0 1.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -41 Cds-HH_Cds-CsCs CsJ-CdHH 300-1500 2.79E+04 2.41 0 11.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -42 Cds-HH_Cds-CsCs CsJ-CdCsH 300-1500 4.86E+03 2.41 0 10.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -43 Cds-HH_Cds-CsCs CsJ-CdCsCs 300-1500 6.28E+02 2.41 0 10.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -44 Cds-HH_Cds-CsCs CsJ-CdCdH 300-1500 9.79E+03 2.41 0 15.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -45 Cds-HH_Cds-CsCs CsJ-CdCdCs 300-1500 3.34E+03 2.41 0 15.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -46 Cds-HH_Cds-CsCs CsJ-CbHH 300-1500 1.29E+04 2.41 0 8.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -47 Cds-HH_Cds-CsCs CsJ-CbCsH 300-1500 3.18E+03 2.41 0 8.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -48 Cds-HH_Cds-CsCs CsJ-CbCsCs 300-1500 5.09E+02 2.41 0 7.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -49 Cds-HH_Cds-CsCs CsJ-CtHH 300-1500 1.20E+04 2.41 0 8.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -50 Cds-HH_Cds-CsCs CsJ-CtCsH 300-1500 2.69E+03 2.41 0 8.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -51 Cds-HH_Cds-CsCs CsJ-CtCsCs 300-1500 6.87E+02 2.41 0 7.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -52 Cds-HH_Cds-CsCs CdsJ-H 300-1500 1.81E+04 2.41 0 1.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -53 Cds-HH_Cds-CsCs CdsJ-Cs 300-1500 9.58E+03 2.41 0 0.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -54 Cds-HH_Cds-CsCs CbJ 300-1500 2.86E+04 2.41 0 -1.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -55 Cds-HH_Cds-CdH CsJ-HHH 300-1500 2.36E+04 2.41 0 2.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -56 Cds-HH_Cds-CdH CsJ-CsHH 300-1500 2.39E+03 2.41 0 1.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -57 Cds-HH_Cds-CdH CsJ-CsCsH 300-1500 1.92E+03 2.41 0 0.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -58 Cds-HH_Cds-CdH CsJ-CsCsCs 300-1500 1.42E+03 2.41 0 -0.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -59 Cds-HH_Cds-CdH CsJ-CdHH 300-1500 2.49E+04 2.41 0 8.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -60 Cds-HH_Cds-CdH CsJ-CdCsH 300-1500 4.33E+03 2.41 0 8.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -61 Cds-HH_Cds-CdH CsJ-CdCsCs 300-1500 5.61E+02 2.41 0 7.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -62 Cds-HH_Cds-CdH CsJ-CdCdH 300-1500 8.74E+03 2.41 0 13.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -63 Cds-HH_Cds-CdH CsJ-CdCdCs 300-1500 2.98E+03 2.41 0 13.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -64 Cds-HH_Cds-CdH CsJ-CbHH 300-1500 1.15E+04 2.41 0 6.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -65 Cds-HH_Cds-CdH CsJ-CbCsH 300-1500 2.84E+03 2.41 0 5.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -66 Cds-HH_Cds-CdH CsJ-CbCsCs 300-1500 4.54E+02 2.41 0 5.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -67 Cds-HH_Cds-CdH CsJ-CtHH 300-1500 1.07E+04 2.41 0 6.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -68 Cds-HH_Cds-CdH CsJ-CtCsH 300-1500 2.40E+03 2.41 0 5.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -69 Cds-HH_Cds-CdH CsJ-CtCsCs 300-1500 6.14E+02 2.41 0 5.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -70 Cds-HH_Cds-CdH CdsJ-H 300-1500 1.61E+04 2.41 0 -1.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -71 Cds-HH_Cds-CdH CdsJ-Cs 300-1500 8.55E+03 2.41 0 -1.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -72 Cds-HH_Cds-CdH CbJ 300-1500 2.55E+04 2.41 0 -3.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -73 Cds-HH_Cds-CdCs CsJ-HHH 300-1500 2.68E+04 2.41 0 2.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -74 Cds-HH_Cds-CdCs CsJ-CsHH 300-1500 2.72E+03 2.41 0 1.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -75 Cds-HH_Cds-CdCs CsJ-CsCsH 300-1500 2.18E+03 2.41 0 0.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -76 Cds-HH_Cds-CdCs CsJ-CsCsCs 300-1500 1.61E+03 2.41 0 -1.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -77 Cds-HH_Cds-CdCs CsJ-CdHH 300-1500 2.82E+04 2.41 0 8.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -78 Cds-HH_Cds-CdCs CsJ-CdCsH 300-1500 4.92E+03 2.41 0 8.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -79 Cds-HH_Cds-CdCs CsJ-CdCsCs 300-1500 6.36E+02 2.41 0 7.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -80 Cds-HH_Cds-CdCs CsJ-CdCdH 300-1500 9.92E+03 2.41 0 12.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -81 Cds-HH_Cds-CdCs CsJ-CdCdCs 300-1500 3.39E+03 2.41 0 12.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -82 Cds-HH_Cds-CdCs CsJ-CbHH 300-1500 1.31E+04 2.41 0 6.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -83 Cds-HH_Cds-CdCs CsJ-CbCsH 300-1500 3.22E+03 2.41 0 5.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -84 Cds-HH_Cds-CdCs CsJ-CbCsCs 300-1500 5.15E+02 2.41 0 4.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -85 Cds-HH_Cds-CdCs CsJ-CtHH 300-1500 1.21E+04 2.41 0 5.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -86 Cds-HH_Cds-CdCs CsJ-CtCsH 300-1500 2.73E+03 2.41 0 5.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -87 Cds-HH_Cds-CdCs CsJ-CtCsCs 300-1500 6.96E+02 2.41 0 4.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -88 Cds-HH_Cds-CdCs CdsJ-H 300-1500 1.83E+04 2.41 0 -1.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -89 Cds-HH_Cds-CdCs CdsJ-Cs 300-1500 9.71E+03 2.41 0 -1.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -90 Cds-HH_Cds-CdCs CbJ 300-1500 2.89E+04 2.41 0 -4.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -91 Cds-HH_Cds-CdCd CsJ-HHH 300-1500 8.16E+04 2.41 0 1.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -92 Cds-HH_Cds-CdCd CsJ-CsHH 300-1500 8.28E+03 2.41 0 0.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -93 Cds-HH_Cds-CdCd CsJ-CsCsH 300-1500 6.64E+03 2.41 0 -0.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -94 Cds-HH_Cds-CdCd CsJ-CsCsCs 300-1500 4.92E+03 2.41 0 -1.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -95 Cds-HH_Cds-CdCd CsJ-CdHH 300-1500 8.61E+04 2.41 0 7.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -96 Cds-HH_Cds-CdCd CsJ-CdCsH 300-1500 1.50E+04 2.41 0 7.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -97 Cds-HH_Cds-CdCd CsJ-CdCsCs 300-1500 1.94E+03 2.41 0 6.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -98 Cds-HH_Cds-CdCd CsJ-CdCdH 300-1500 3.02E+04 2.41 0 12.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -99 Cds-HH_Cds-CdCd CsJ-CdCdCs 300-1500 1.03E+04 2.41 0 11.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -100 Cds-HH_Cds-CdCd CsJ-CbHH 300-1500 3.99E+04 2.41 0 5.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -101 Cds-HH_Cds-CdCd CsJ-CbCsH 300-1500 9.82E+03 2.41 0 4.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -102 Cds-HH_Cds-CdCd CsJ-CbCsCs 300-1500 1.57E+03 2.41 0 3.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -103 Cds-HH_Cds-CdCd CsJ-CtHH 300-1500 3.69E+04 2.41 0 4.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -104 Cds-HH_Cds-CdCd CsJ-CtCsH 300-1500 8.32E+03 2.41 0 4.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -105 Cds-HH_Cds-CdCd CsJ-CtCsCs 300-1500 2.12E+03 2.41 0 3.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -106 Cds-HH_Cds-CdCd CdsJ-H 300-1500 5.58E+04 2.41 0 -2.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -107 Cds-HH_Cds-CdCd CdsJ-Cs 300-1500 2.96E+04 2.41 0 -2.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -108 Cds-HH_Cds-CdCd CbJ 300-1500 8.81E+04 2.41 0 -5.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -109 Cds-HH_Cds-CbH CsJ-HHH 300-1500 7.70E+03 2.41 0 4.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -110 Cds-HH_Cds-CbH CsJ-CsHH 300-1500 7.82E+02 2.41 0 3.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -111 Cds-HH_Cds-CbH CsJ-CsCsH 300-1500 6.27E+02 2.41 0 2.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -112 Cds-HH_Cds-CbH CsJ-CsCsCs 300-1500 4.64E+02 2.41 0 1.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -113 Cds-HH_Cds-CbH CsJ-CdHH 300-1500 8.12E+03 2.41 0 10.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -114 Cds-HH_Cds-CbH CsJ-CdCsH 300-1500 1.41E+03 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -115 Cds-HH_Cds-CbH CsJ-CdCsCs 300-1500 1.83E+02 2.41 0 9.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -116 Cds-HH_Cds-CbH CsJ-CdCdH 300-1500 2.85E+03 2.41 0 15.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -117 Cds-HH_Cds-CbH CsJ-CdCdCs 300-1500 9.74E+02 2.41 0 14.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -118 Cds-HH_Cds-CbH CsJ-CbHH 300-1500 3.77E+03 2.41 0 8.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -119 Cds-HH_Cds-CbH CsJ-CbCsH 300-1500 9.26E+02 2.41 0 7.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -120 Cds-HH_Cds-CbH CsJ-CbCsCs 300-1500 1.48E+02 2.41 0 7.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -121 Cds-HH_Cds-CbH CsJ-CtHH 300-1500 3.48E+03 2.41 0 7.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -122 Cds-HH_Cds-CbH CsJ-CtCsH 300-1500 7.85E+02 2.41 0 7.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -123 Cds-HH_Cds-CbH CsJ-CtCsCs 300-1500 2.00E+02 2.41 0 6.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -124 Cds-HH_Cds-CbH CdsJ-H 300-1500 5.27E+03 2.41 0 0.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -125 Cds-HH_Cds-CbH CdsJ-Cs 300-1500 2.79E+03 2.41 0 0.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -126 Cds-HH_Cds-CbH CbJ 300-1500 8.32E+03 2.41 0 -1.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -127 Cds-HH_Cds-CbCs CsJ-HHH 300-1500 1.63E+04 2.41 0 4.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -128 Cds-HH_Cds-CbCs CsJ-CsHH 300-1500 1.66E+03 2.41 0 3.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -129 Cds-HH_Cds-CbCs CsJ-CsCsH 300-1500 1.33E+03 2.41 0 2.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -130 Cds-HH_Cds-CbCs CsJ-CsCsCs 300-1500 9.85E+02 2.41 0 0.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -131 Cds-HH_Cds-CbCs CsJ-CdHH 300-1500 1.72E+04 2.41 0 10.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -132 Cds-HH_Cds-CbCs CsJ-CdCsH 300-1500 3.00E+03 2.41 0 10.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -133 Cds-HH_Cds-CbCs CsJ-CdCsCs 300-1500 3.88E+02 2.41 0 9.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -134 Cds-HH_Cds-CbCs CsJ-CdCdH 300-1500 6.05E+03 2.41 0 14.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -135 Cds-HH_Cds-CbCs CsJ-CdCdCs 300-1500 2.07E+03 2.41 0 14.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -136 Cds-HH_Cds-CbCs CsJ-CbHH 300-1500 7.99E+03 2.41 0 8.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -137 Cds-HH_Cds-CbCs CsJ-CbCsH 300-1500 1.96E+03 2.41 0 7.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -138 Cds-HH_Cds-CbCs CsJ-CbCsCs 300-1500 3.14E+02 2.41 0 6.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -139 Cds-HH_Cds-CbCs CsJ-CtHH 300-1500 7.38E+03 2.41 0 7.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -140 Cds-HH_Cds-CbCs CsJ-CtCsH 300-1500 1.66E+03 2.41 0 7.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -141 Cds-HH_Cds-CbCs CsJ-CtCsCs 300-1500 4.25E+02 2.41 0 6.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -142 Cds-HH_Cds-CbCs CdsJ-H 300-1500 1.12E+04 2.41 0 0.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -143 Cds-HH_Cds-CbCs CdsJ-Cs 300-1500 5.92E+03 2.41 0 0.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -144 Cds-HH_Cds-CbCs CbJ 300-1500 1.76E+04 2.41 0 -2.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -145 Cds-HH_Cds-CtH CsJ-HHH 300-1500 3.06E+04 2.41 0 2.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -146 Cds-HH_Cds-CtH CsJ-CsHH 300-1500 3.10E+03 2.41 0 1.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -147 Cds-HH_Cds-CtH CsJ-CsCsH 300-1500 2.49E+03 2.41 0 0.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -148 Cds-HH_Cds-CtH CsJ-CsCsCs 300-1500 1.84E+03 2.41 0 -0.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -149 Cds-HH_Cds-CtH CsJ-CdHH 300-1500 3.23E+04 2.41 0 8.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -150 Cds-HH_Cds-CtH CsJ-CdCsH 300-1500 5.62E+03 2.41 0 8.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -151 Cds-HH_Cds-CtH CsJ-CdCsCs 300-1500 7.27E+02 2.41 0 7.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -152 Cds-HH_Cds-CtH CsJ-CdCdH 300-1500 1.13E+04 2.41 0 13.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -153 Cds-HH_Cds-CtH CsJ-CdCdCs 300-1500 3.87E+03 2.41 0 13.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -154 Cds-HH_Cds-CtH CsJ-CbHH 300-1500 1.50E+04 2.41 0 6.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -155 Cds-HH_Cds-CtH CsJ-CbCsH 300-1500 3.68E+03 2.41 0 5.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -156 Cds-HH_Cds-CtH CsJ-CbCsCs 300-1500 5.89E+02 2.41 0 5.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -157 Cds-HH_Cds-CtH CsJ-CtHH 300-1500 1.38E+04 2.41 0 6.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -158 Cds-HH_Cds-CtH CsJ-CtCsH 300-1500 3.12E+03 2.41 0 5.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -159 Cds-HH_Cds-CtH CsJ-CtCsCs 300-1500 7.95E+02 2.41 0 4.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -160 Cds-HH_Cds-CtH CdsJ-H 300-1500 2.09E+04 2.41 0 -1.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -161 Cds-HH_Cds-CtH CdsJ-Cs 300-1500 1.11E+04 2.41 0 -1.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -162 Cds-HH_Cds-CtH CbJ 300-1500 3.30E+04 2.41 0 -3.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -163 Cds-HH_Cds-CtCs CsJ-HHH 300-1500 3.13E+04 2.41 0 2.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -164 Cds-HH_Cds-CtCs CsJ-CsHH 300-1500 3.18E+03 2.41 0 1.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -165 Cds-HH_Cds-CtCs CsJ-CsCsH 300-1500 2.55E+03 2.41 0 0.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -166 Cds-HH_Cds-CtCs CsJ-CsCsCs 300-1500 1.89E+03 2.41 0 -0.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -167 Cds-HH_Cds-CtCs CsJ-CdHH 300-1500 3.30E+04 2.41 0 8.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -168 Cds-HH_Cds-CtCs CsJ-CdCsH 300-1500 5.75E+03 2.41 0 8.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -169 Cds-HH_Cds-CtCs CsJ-CdCsCs 300-1500 7.44E+02 2.41 0 7.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -170 Cds-HH_Cds-CtCs CsJ-CdCdH 300-1500 1.16E+04 2.41 0 13.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -171 Cds-HH_Cds-CtCs CsJ-CdCdCs 300-1500 3.96E+03 2.41 0 12.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -172 Cds-HH_Cds-CtCs CsJ-CbHH 300-1500 1.53E+04 2.41 0 6.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -173 Cds-HH_Cds-CtCs CsJ-CbCsH 300-1500 3.77E+03 2.41 0 5.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -174 Cds-HH_Cds-CtCs CsJ-CbCsCs 300-1500 6.03E+02 2.41 0 5.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -175 Cds-HH_Cds-CtCs CsJ-CtHH 300-1500 1.42E+04 2.41 0 6.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -176 Cds-HH_Cds-CtCs CsJ-CtCsH 300-1500 3.19E+03 2.41 0 5.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -177 Cds-HH_Cds-CtCs CsJ-CtCsCs 300-1500 8.14E+02 2.41 0 4.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -178 Cds-HH_Cds-CtCs CdsJ-H 300-1500 2.14E+04 2.41 0 -1.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -179 Cds-HH_Cds-CtCs CdsJ-Cs 300-1500 1.14E+04 2.41 0 -1.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -180 Cds-HH_Cds-CtCs CbJ 300-1500 3.38E+04 2.41 0 -3.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -181 Cds-HH_Ca CsJ-HHH 300-1500 2.26E+04 2.41 0 6.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -182 Cds-HH_Ca CsJ-CsHH 300-1500 2.29E+03 2.41 0 5.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -183 Cds-HH_Ca CsJ-CsCsH 300-1500 1.84E+03 2.41 0 4.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -184 Cds-HH_Ca CsJ-CsCsCs 300-1500 1.36E+03 2.41 0 3.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -185 Cds-HH_Ca CsJ-CdHH 300-1500 2.38E+04 2.41 0 12.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -186 Cds-HH_Ca CsJ-CdCsH 300-1500 4.15E+03 2.41 0 12.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -187 Cds-HH_Ca CsJ-CdCsCs 300-1500 5.37E+02 2.41 0 11.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -188 Cds-HH_Ca CsJ-CdCdH 300-1500 8.37E+03 2.41 0 17.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -189 Cds-HH_Ca CsJ-CdCdCs 300-1500 2.86E+03 2.41 0 16.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -190 Cds-HH_Ca CsJ-CbHH 300-1500 1.11E+04 2.41 0 10.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -191 Cds-HH_Ca CsJ-CbCsH 300-1500 2.72E+03 2.41 0 9.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -192 Cds-HH_Ca CsJ-CbCsCs 300-1500 4.35E+02 2.41 0 8.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -193 Cds-HH_Ca CsJ-CtHH 300-1500 1.02E+04 2.41 0 9.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -194 Cds-HH_Ca CsJ-CtCsH 300-1500 2.30E+03 2.41 0 9.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -195 Cds-HH_Ca CsJ-CtCsCs 300-1500 5.88E+02 2.41 0 8.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -196 Cds-HH_Ca CdsJ-H 300-1500 1.54E+04 2.41 0 2.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -197 Cds-HH_Ca CdsJ-Cs 300-1500 8.19E+03 2.41 0 2.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -198 Cds-HH_Ca CbJ 300-1500 2.44E+04 2.41 0 -0.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -199 Cds-CsH_Cds-HH CsJ-HHH 300-1500 1.00E+04 2.41 0 7.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -200 Cds-CsH_Cds-HH CsJ-CsHH 300-1500 1.02E+03 2.41 0 6.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -201 Cds-CsH_Cds-HH CsJ-CsCsH 300-1500 8.18E+02 2.41 0 5.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -202 Cds-CsH_Cds-HH CsJ-CsCsCs 300-1500 6.06E+02 2.41 0 3.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -203 Cds-CsH_Cds-HH CsJ-CdHH 300-1500 1.06E+04 2.41 0 13.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -204 Cds-CsH_Cds-HH CsJ-CdCsH 300-1500 1.85E+03 2.41 0 13.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -205 Cds-CsH_Cds-HH CsJ-CdCsCs 300-1500 2.39E+02 2.41 0 12.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -206 Cds-CsH_Cds-HH CsJ-CdCdH 300-1500 3.72E+03 2.41 0 17.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -207 Cds-CsH_Cds-HH CsJ-CdCdCs 300-1500 1.27E+03 2.41 0 17.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -208 Cds-CsH_Cds-HH CsJ-CbHH 300-1500 4.91E+03 2.41 0 11.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -209 Cds-CsH_Cds-HH CsJ-CbCsH 300-1500 1.21E+03 2.41 0 10.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -210 Cds-CsH_Cds-HH CsJ-CbCsCs 300-1500 1.93E+02 2.41 0 9.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -211 Cds-CsH_Cds-HH CsJ-CtHH 300-1500 4.54E+03 2.41 0 10.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -212 Cds-CsH_Cds-HH CsJ-CtCsH 300-1500 1.02E+03 2.41 0 10.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -213 Cds-CsH_Cds-HH CsJ-CtCsCs 300-1500 2.61E+02 2.41 0 9.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -214 Cds-CsH_Cds-HH CdsJ-H 300-1500 6.87E+03 2.41 0 3.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -215 Cds-CsH_Cds-HH CdsJ-Cs 300-1500 3.64E+03 2.41 0 3.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -216 Cds-CsH_Cds-HH CbJ 300-1500 1.08E+04 2.41 0 0.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -217 Cds-CsH_Cds-CsH CsJ-HHH 300-1500 1.01E+04 2.41 0 6.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -218 Cds-CsH_Cds-CsH CsJ-CsHH 300-1500 1.02E+03 2.41 0 6.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -219 Cds-CsH_Cds-CsH CsJ-CsCsH 300-1500 8.21E+02 2.41 0 5.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -220 Cds-CsH_Cds-CsH CsJ-CsCsCs 300-1500 6.08E+02 2.41 0 3.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -221 Cds-CsH_Cds-CsH CsJ-CdHH 300-1500 1.06E+04 2.41 0 13.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -222 Cds-CsH_Cds-CsH CsJ-CdCsH 300-1500 1.85E+03 2.41 0 12.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -223 Cds-CsH_Cds-CsH CsJ-CdCsCs 300-1500 2.40E+02 2.41 0 11.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -224 Cds-CsH_Cds-CsH CsJ-CdCdH 300-1500 3.74E+03 2.41 0 17.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -225 Cds-CsH_Cds-CsH CsJ-CdCdCs 300-1500 1.28E+03 2.41 0 17.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -226 Cds-CsH_Cds-CsH CsJ-CbHH 300-1500 4.93E+03 2.41 0 10.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -227 Cds-CsH_Cds-CsH CsJ-CbCsH 300-1500 1.21E+03 2.41 0 10.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -228 Cds-CsH_Cds-CsH CsJ-CbCsCs 300-1500 1.94E+02 2.41 0 9.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -229 Cds-CsH_Cds-CsH CsJ-CtHH 300-1500 4.56E+03 2.41 0 10.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -230 Cds-CsH_Cds-CsH CsJ-CtCsH 300-1500 1.03E+03 2.41 0 10.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -231 Cds-CsH_Cds-CsH CsJ-CtCsCs 300-1500 2.62E+02 2.41 0 9.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -232 Cds-CsH_Cds-CsH CdsJ-H 300-1500 6.90E+03 2.41 0 2.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -233 Cds-CsH_Cds-CsH CdsJ-Cs 300-1500 3.66E+03 2.41 0 2.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -234 Cds-CsH_Cds-CsH CbJ 300-1500 1.09E+04 2.41 0 0.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -235 Cds-CsH_Cds-CsCs CsJ-HHH 300-1500 1.27E+04 2.41 0 6.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -236 Cds-CsH_Cds-CsCs CsJ-CsHH 300-1500 1.29E+03 2.41 0 5.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -237 Cds-CsH_Cds-CsCs CsJ-CsCsH 300-1500 1.03E+03 2.41 0 4.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -238 Cds-CsH_Cds-CsCs CsJ-CsCsCs 300-1500 7.65E+02 2.41 0 3.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -239 Cds-CsH_Cds-CsCs CsJ-CdHH 300-1500 1.34E+04 2.41 0 12.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -240 Cds-CsH_Cds-CsCs CsJ-CdCsH 300-1500 2.33E+03 2.41 0 12.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -241 Cds-CsH_Cds-CsCs CsJ-CdCsCs 300-1500 3.01E+02 2.41 0 11.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -242 Cds-CsH_Cds-CsCs CsJ-CdCdH 300-1500 4.70E+03 2.41 0 17.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -243 Cds-CsH_Cds-CsCs CsJ-CdCdCs 300-1500 1.60E+03 2.41 0 17.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -244 Cds-CsH_Cds-CsCs CsJ-CbHH 300-1500 6.21E+03 2.41 0 10.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -245 Cds-CsH_Cds-CsCs CsJ-CbCsH 300-1500 1.53E+03 2.41 0 9.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -246 Cds-CsH_Cds-CsCs CsJ-CbCsCs 300-1500 2.44E+02 2.41 0 9.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -247 Cds-CsH_Cds-CsCs CsJ-CtHH 300-1500 5.74E+03 2.41 0 10.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -248 Cds-CsH_Cds-CsCs CsJ-CtCsH 300-1500 1.29E+03 2.41 0 9.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -249 Cds-CsH_Cds-CsCs CsJ-CtCsCs 300-1500 3.30E+02 2.41 0 8.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -250 Cds-CsH_Cds-CsCs CdsJ-H 300-1500 8.68E+03 2.41 0 2.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -251 Cds-CsH_Cds-CsCs CdsJ-Cs 300-1500 4.60E+03 2.41 0 2.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -252 Cds-CsH_Cds-CsCs CbJ 300-1500 1.37E+04 2.41 0 0.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -253 Cds-CsH_Cds-CdH CsJ-HHH 300-1500 1.13E+04 2.41 0 4.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -254 Cds-CsH_Cds-CdH CsJ-CsHH 300-1500 1.15E+03 2.41 0 3.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -255 Cds-CsH_Cds-CdH CsJ-CsCsH 300-1500 9.22E+02 2.41 0 2.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -256 Cds-CsH_Cds-CdH CsJ-CsCsCs 300-1500 6.83E+02 2.41 0 0.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -257 Cds-CsH_Cds-CdH CsJ-CdHH 300-1500 1.19E+04 2.41 0 10.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -258 Cds-CsH_Cds-CdH CsJ-CdCsH 300-1500 2.08E+03 2.41 0 10.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -259 Cds-CsH_Cds-CdH CsJ-CdCsCs 300-1500 2.69E+02 2.41 0 9.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -260 Cds-CsH_Cds-CdH CsJ-CdCdH 300-1500 4.19E+03 2.41 0 14.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -261 Cds-CsH_Cds-CdH CsJ-CdCdCs 300-1500 1.43E+03 2.41 0 14.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -262 Cds-CsH_Cds-CdH CsJ-CbHH 300-1500 5.54E+03 2.41 0 7.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -263 Cds-CsH_Cds-CdH CsJ-CbCsH 300-1500 1.36E+03 2.41 0 7.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -264 Cds-CsH_Cds-CdH CsJ-CbCsCs 300-1500 2.18E+02 2.41 0 6.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -265 Cds-CsH_Cds-CdH CsJ-CtHH 300-1500 5.12E+03 2.41 0 7.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -266 Cds-CsH_Cds-CdH CsJ-CtCsH 300-1500 1.15E+03 2.41 0 7.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -267 Cds-CsH_Cds-CdH CsJ-CtCsCs 300-1500 2.95E+02 2.41 0 6.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -268 Cds-CsH_Cds-CdH CdsJ-H 300-1500 7.74E+03 2.41 0 0.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -269 Cds-CsH_Cds-CdH CdsJ-Cs 300-1500 4.11E+03 2.41 0 -0.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -270 Cds-CsH_Cds-CdH CbJ 300-1500 1.22E+04 2.41 0 -2.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -271 Cds-CsH_Cds-CdCs CsJ-HHH 300-1500 1.28E+04 2.41 0 3.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -272 Cds-CsH_Cds-CdCs CsJ-CsHH 300-1500 1.30E+03 2.41 0 3.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -273 Cds-CsH_Cds-CdCs CsJ-CsCsH 300-1500 1.05E+03 2.41 0 1.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -274 Cds-CsH_Cds-CdCs CsJ-CsCsCs 300-1500 7.75E+02 2.41 0 0.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -275 Cds-CsH_Cds-CdCs CsJ-CdHH 300-1500 1.36E+04 2.41 0 9.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -276 Cds-CsH_Cds-CdCs CsJ-CdCsH 300-1500 2.36E+03 2.41 0 9.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -277 Cds-CsH_Cds-CdCs CsJ-CdCsCs 300-1500 3.05E+02 2.41 0 8.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -278 Cds-CsH_Cds-CdCs CsJ-CdCdH 300-1500 4.76E+03 2.41 0 14.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -279 Cds-CsH_Cds-CdCs CsJ-CdCdCs 300-1500 1.63E+03 2.41 0 14.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -280 Cds-CsH_Cds-CdCs CsJ-CbHH 300-1500 6.29E+03 2.41 0 7.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -281 Cds-CsH_Cds-CdCs CsJ-CbCsH 300-1500 1.55E+03 2.41 0 6.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -282 Cds-CsH_Cds-CdCs CsJ-CbCsCs 300-1500 2.47E+02 2.41 0 6.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -283 Cds-CsH_Cds-CdCs CsJ-CtHH 300-1500 5.81E+03 2.41 0 7.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -284 Cds-CsH_Cds-CdCs CsJ-CtCsH 300-1500 1.31E+03 2.41 0 6.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -285 Cds-CsH_Cds-CdCs CsJ-CtCsCs 300-1500 3.34E+02 2.41 0 6.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -286 Cds-CsH_Cds-CdCs CdsJ-H 300-1500 8.79E+03 2.41 0 -0.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -287 Cds-CsH_Cds-CdCs CdsJ-Cs 300-1500 4.66E+03 2.41 0 -0.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -288 Cds-CsH_Cds-CdCs CbJ 300-1500 1.39E+04 2.41 0 -2.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -289 Cds-CsH_Cds-CdCd CsJ-HHH 300-1500 3.91E+04 2.41 0 2.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -290 Cds-CsH_Cds-CdCd CsJ-CsHH 300-1500 3.98E+03 2.41 0 2.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -291 Cds-CsH_Cds-CdCd CsJ-CsCsH 300-1500 3.19E+03 2.41 0 0.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -292 Cds-CsH_Cds-CdCd CsJ-CsCsCs 300-1500 2.36E+03 2.41 0 -0.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -293 Cds-CsH_Cds-CdCd CsJ-CdHH 300-1500 4.13E+04 2.41 0 8.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -294 Cds-CsH_Cds-CdCd CsJ-CdCsH 300-1500 7.20E+03 2.41 0 8.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -295 Cds-CsH_Cds-CdCd CsJ-CdCsCs 300-1500 9.31E+02 2.41 0 7.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -296 Cds-CsH_Cds-CdCd CsJ-CdCdH 300-1500 1.45E+04 2.41 0 13.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -297 Cds-CsH_Cds-CdCd CsJ-CdCdCs 300-1500 4.95E+03 2.41 0 13.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -298 Cds-CsH_Cds-CdCd CsJ-CbHH 300-1500 1.92E+04 2.41 0 6.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -299 Cds-CsH_Cds-CdCd CsJ-CbCsH 300-1500 4.71E+03 2.41 0 5.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -300 Cds-CsH_Cds-CdCd CsJ-CbCsCs 300-1500 7.54E+02 2.41 0 5.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -301 Cds-CsH_Cds-CdCd CsJ-CtHH 300-1500 1.77E+04 2.41 0 6.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -302 Cds-CsH_Cds-CdCd CsJ-CtCsH 300-1500 3.99E+03 2.41 0 5.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -303 Cds-CsH_Cds-CdCd CsJ-CtCsCs 300-1500 1.02E+03 2.41 0 5.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -304 Cds-CsH_Cds-CdCd CdsJ-H 300-1500 2.68E+04 2.41 0 -1.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -305 Cds-CsH_Cds-CdCd CdsJ-Cs 300-1500 1.42E+04 2.41 0 -1.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -306 Cds-CsH_Cds-CdCd CbJ 300-1500 4.23E+04 2.41 0 -3.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -307 Cds-CsH_Cds-CbH CsJ-HHH 300-1500 3.69E+03 2.41 0 5.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -308 Cds-CsH_Cds-CbH CsJ-CsHH 300-1500 3.75E+02 2.41 0 5.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -309 Cds-CsH_Cds-CbH CsJ-CsCsH 300-1500 3.01E+02 2.41 0 3.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -310 Cds-CsH_Cds-CbH CsJ-CsCsCs 300-1500 2.23E+02 2.41 0 2.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -311 Cds-CsH_Cds-CbH CsJ-CdHH 300-1500 3.90E+03 2.41 0 12.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -312 Cds-CsH_Cds-CbH CsJ-CdCsH 300-1500 6.79E+02 2.41 0 11.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -313 Cds-CsH_Cds-CbH CsJ-CdCsCs 300-1500 8.78E+01 2.41 0 10.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -314 Cds-CsH_Cds-CbH CsJ-CdCdH 300-1500 1.37E+03 2.41 0 16.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -315 Cds-CsH_Cds-CbH CsJ-CdCdCs 300-1500 4.67E+02 2.41 0 16.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -316 Cds-CsH_Cds-CbH CsJ-CbHH 300-1500 1.81E+03 2.41 0 9.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -317 Cds-CsH_Cds-CbH CsJ-CbCsH 300-1500 4.45E+02 2.41 0 9.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -318 Cds-CsH_Cds-CbH CsJ-CbCsCs 300-1500 7.11E+01 2.41 0 8.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -319 Cds-CsH_Cds-CbH CsJ-CtHH 300-1500 1.67E+03 2.41 0 9.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -320 Cds-CsH_Cds-CbH CsJ-CtCsH 300-1500 3.77E+02 2.41 0 9.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -321 Cds-CsH_Cds-CbH CsJ-CtCsCs 300-1500 9.61E+01 2.41 0 8.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -322 Cds-CsH_Cds-CbH CdsJ-H 300-1500 2.53E+03 2.41 0 1.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -323 Cds-CsH_Cds-CbH CdsJ-Cs 300-1500 1.34E+03 2.41 0 1.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -324 Cds-CsH_Cds-CbH CbJ 300-1500 3.99E+03 2.41 0 -0.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -325 Cds-CsH_Cds-CbCs CsJ-HHH 300-1500 7.84E+03 2.41 0 5.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -326 Cds-CsH_Cds-CbCs CsJ-CsHH 300-1500 7.96E+02 2.41 0 5.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -327 Cds-CsH_Cds-CbCs CsJ-CsCsH 300-1500 6.38E+02 2.41 0 3.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -328 Cds-CsH_Cds-CbCs CsJ-CsCsCs 300-1500 4.73E+02 2.41 0 2.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -329 Cds-CsH_Cds-CbCs CsJ-CdHH 300-1500 8.27E+03 2.41 0 11.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -330 Cds-CsH_Cds-CbCs CsJ-CdCsH 300-1500 1.44E+03 2.41 0 11.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -331 Cds-CsH_Cds-CbCs CsJ-CdCsCs 300-1500 1.86E+02 2.41 0 10.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -332 Cds-CsH_Cds-CbCs CsJ-CdCdH 300-1500 2.90E+03 2.41 0 16.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -333 Cds-CsH_Cds-CbCs CsJ-CdCdCs 300-1500 9.91E+02 2.41 0 16.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -334 Cds-CsH_Cds-CbCs CsJ-CbHH 300-1500 3.83E+03 2.41 0 9.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -335 Cds-CsH_Cds-CbCs CsJ-CbCsH 300-1500 9.43E+02 2.41 0 8.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -336 Cds-CsH_Cds-CbCs CsJ-CbCsCs 300-1500 1.51E+02 2.41 0 8.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -337 Cds-CsH_Cds-CbCs CsJ-CtHH 300-1500 3.54E+03 2.41 0 9.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -338 Cds-CsH_Cds-CbCs CsJ-CtCsH 300-1500 7.99E+02 2.41 0 8.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -339 Cds-CsH_Cds-CbCs CsJ-CtCsCs 300-1500 2.04E+02 2.41 0 8.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -340 Cds-CsH_Cds-CbCs CdsJ-H 300-1500 5.36E+03 2.41 0 1.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -341 Cds-CsH_Cds-CbCs CdsJ-Cs 300-1500 2.84E+03 2.41 0 1.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -342 Cds-CsH_Cds-CbCs CbJ 300-1500 8.47E+03 2.41 0 -0.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -343 Cds-CsH_Cds-CtH CsJ-HHH 300-1500 1.47E+04 2.41 0 3.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -344 Cds-CsH_Cds-CtH CsJ-CsHH 300-1500 1.49E+03 2.41 0 3.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -345 Cds-CsH_Cds-CtH CsJ-CsCsH 300-1500 1.20E+03 2.41 0 2.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -346 Cds-CsH_Cds-CtH CsJ-CsCsCs 300-1500 8.85E+02 2.41 0 0.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -347 Cds-CsH_Cds-CtH CsJ-CdHH 300-1500 1.55E+04 2.41 0 10.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -348 Cds-CsH_Cds-CtH CsJ-CdCsH 300-1500 2.70E+03 2.41 0 9.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -349 Cds-CsH_Cds-CtH CsJ-CdCsCs 300-1500 3.49E+02 2.41 0 8.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -350 Cds-CsH_Cds-CtH CsJ-CdCdH 300-1500 5.44E+03 2.41 0 14.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -351 Cds-CsH_Cds-CtH CsJ-CdCdCs 300-1500 1.86E+03 2.41 0 14.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -352 Cds-CsH_Cds-CtH CsJ-CbHH 300-1500 7.18E+03 2.41 0 7.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -353 Cds-CsH_Cds-CtH CsJ-CbCsH 300-1500 1.77E+03 2.41 0 7.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -354 Cds-CsH_Cds-CtH CsJ-CbCsCs 300-1500 2.83E+02 2.41 0 6.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -355 Cds-CsH_Cds-CtH CsJ-CtHH 300-1500 6.64E+03 2.41 0 7.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -356 Cds-CsH_Cds-CtH CsJ-CtCsH 300-1500 1.50E+03 2.41 0 7.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -357 Cds-CsH_Cds-CtH CsJ-CtCsCs 300-1500 3.82E+02 2.41 0 6.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -358 Cds-CsH_Cds-CtH CdsJ-H 300-1500 1.00E+04 2.41 0 0.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -359 Cds-CsH_Cds-CtH CdsJ-Cs 300-1500 5.32E+03 2.41 0 -0.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -360 Cds-CsH_Cds-CtH CbJ 300-1500 1.59E+04 2.41 0 -2.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -361 Cds-CsH_Cds-CtCs CsJ-HHH 300-1500 1.50E+04 2.41 0 3.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -362 Cds-CsH_Cds-CtCs CsJ-CsHH 300-1500 1.53E+03 2.41 0 3.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -363 Cds-CsH_Cds-CtCs CsJ-CsCsH 300-1500 1.22E+03 2.41 0 2.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -364 Cds-CsH_Cds-CtCs CsJ-CsCsCs 300-1500 9.06E+02 2.41 0 0.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -365 Cds-CsH_Cds-CtCs CsJ-CdHH 300-1500 1.59E+04 2.41 0 10.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -366 Cds-CsH_Cds-CtCs CsJ-CdCsH 300-1500 2.76E+03 2.41 0 9.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -367 Cds-CsH_Cds-CtCs CsJ-CdCsCs 300-1500 3.57E+02 2.41 0 8.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -368 Cds-CsH_Cds-CtCs CsJ-CdCdH 300-1500 5.57E+03 2.41 0 14.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -369 Cds-CsH_Cds-CtCs CsJ-CdCdCs 300-1500 1.90E+03 2.41 0 14.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -370 Cds-CsH_Cds-CtCs CsJ-CbHH 300-1500 7.35E+03 2.41 0 7.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -371 Cds-CsH_Cds-CtCs CsJ-CbCsH 300-1500 1.81E+03 2.41 0 7.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -372 Cds-CsH_Cds-CtCs CsJ-CbCsCs 300-1500 2.89E+02 2.41 0 6.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -373 Cds-CsH_Cds-CtCs CsJ-CtHH 300-1500 6.79E+03 2.41 0 7.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -374 Cds-CsH_Cds-CtCs CsJ-CtCsH 300-1500 1.53E+03 2.41 0 7.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -375 Cds-CsH_Cds-CtCs CsJ-CtCsCs 300-1500 3.91E+02 2.41 0 6.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -376 Cds-CsH_Cds-CtCs CdsJ-H 300-1500 1.03E+04 2.41 0 -0.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -377 Cds-CsH_Cds-CtCs CdsJ-Cs 300-1500 5.45E+03 2.41 0 -0.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -378 Cds-CsH_Cds-CtCs CbJ 300-1500 1.62E+04 2.41 0 -2.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -379 Cds-CsH_Ca CsJ-HHH 300-1500 1.08E+04 2.41 0 7.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -380 Cds-CsH_Ca CsJ-CsHH 300-1500 1.10E+03 2.41 0 7.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -381 Cds-CsH_Ca CsJ-CsCsH 300-1500 8.83E+02 2.41 0 5.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -382 Cds-CsH_Ca CsJ-CsCsCs 300-1500 6.54E+02 2.41 0 4.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -383 Cds-CsH_Ca CsJ-CdHH 300-1500 1.14E+04 2.41 0 13.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -384 Cds-CsH_Ca CsJ-CdCsH 300-1500 1.99E+03 2.41 0 13.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -385 Cds-CsH_Ca CsJ-CdCsCs 300-1500 2.58E+02 2.41 0 12.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -386 Cds-CsH_Ca CsJ-CdCdH 300-1500 4.02E+03 2.41 0 18.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -387 Cds-CsH_Ca CsJ-CdCdCs 300-1500 1.37E+03 2.41 0 18.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -388 Cds-CsH_Ca CsJ-CbHH 300-1500 5.30E+03 2.41 0 11.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -389 Cds-CsH_Ca CsJ-CbCsH 300-1500 1.30E+03 2.41 0 10.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -390 Cds-CsH_Ca CsJ-CbCsCs 300-1500 2.09E+02 2.41 0 10.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -391 Cds-CsH_Ca CsJ-CtHH 300-1500 4.90E+03 2.41 0 11.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -392 Cds-CsH_Ca CsJ-CtCsH 300-1500 1.11E+03 2.41 0 10.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -393 Cds-CsH_Ca CsJ-CtCsCs 300-1500 2.82E+02 2.41 0 10.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -394 Cds-CsH_Ca CdsJ-H 300-1500 7.42E+03 2.41 0 3.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -395 Cds-CsH_Ca CdsJ-Cs 300-1500 3.93E+03 2.41 0 3.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -396 Cds-CsH_Ca CbJ 300-1500 1.17E+04 2.41 0 1.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -397 Cds-CsCs_Cds-HH CsJ-HHH 300-1500 6.24E+03 2.41 0 8.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -398 Cds-CsCs_Cds-HH CsJ-CsHH 300-1500 6.34E+02 2.41 0 7.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -399 Cds-CsCs_Cds-HH CsJ-CsCsH 300-1500 5.08E+02 2.41 0 6.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -400 Cds-CsCs_Cds-HH CsJ-CsCsCs 300-1500 3.76E+02 2.41 0 4.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -401 Cds-CsCs_Cds-HH CsJ-CdHH 300-1500 6.58E+03 2.41 0 14.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -402 Cds-CsCs_Cds-HH CsJ-CdCsH 300-1500 1.15E+03 2.41 0 14.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -403 Cds-CsCs_Cds-HH CsJ-CdCsCs 300-1500 1.48E+02 2.41 0 13.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -404 Cds-CsCs_Cds-HH CsJ-CdCdH 300-1500 2.31E+03 2.41 0 18.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -405 Cds-CsCs_Cds-HH CsJ-CdCdCs 300-1500 7.89E+02 2.41 0 18.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -406 Cds-CsCs_Cds-HH CsJ-CbHH 300-1500 3.05E+03 2.41 0 12.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -407 Cds-CsCs_Cds-HH CsJ-CbCsH 300-1500 7.51E+02 2.41 0 11.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -408 Cds-CsCs_Cds-HH CsJ-CbCsCs 300-1500 1.20E+02 2.41 0 10.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -409 Cds-CsCs_Cds-HH CsJ-CtHH 300-1500 2.82E+03 2.41 0 11.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -410 Cds-CsCs_Cds-HH CsJ-CtCsH 300-1500 6.36E+02 2.41 0 11.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -411 Cds-CsCs_Cds-HH CsJ-CtCsCs 300-1500 1.62E+02 2.41 0 10.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -412 Cds-CsCs_Cds-HH CdsJ-H 300-1500 4.27E+03 2.41 0 4.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -413 Cds-CsCs_Cds-HH CdsJ-Cs 300-1500 2.26E+03 2.41 0 4.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -414 Cds-CsCs_Cds-HH CbJ 300-1500 6.74E+03 2.41 0 1.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -415 Cds-CsCs_Cds-CsH CsJ-HHH 300-1500 6.26E+03 2.41 0 7.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -416 Cds-CsCs_Cds-CsH CsJ-CsHH 300-1500 6.36E+02 2.41 0 7.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -417 Cds-CsCs_Cds-CsH CsJ-CsCsH 300-1500 5.10E+02 2.41 0 5.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -418 Cds-CsCs_Cds-CsH CsJ-CsCsCs 300-1500 3.78E+02 2.41 0 4.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -419 Cds-CsCs_Cds-CsH CsJ-CdHH 300-1500 6.61E+03 2.41 0 14.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -420 Cds-CsCs_Cds-CsH CsJ-CdCsH 300-1500 1.15E+03 2.41 0 13.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -421 Cds-CsCs_Cds-CsH CsJ-CdCsCs 300-1500 1.49E+02 2.41 0 12.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -422 Cds-CsCs_Cds-CsH CsJ-CdCdH 300-1500 2.32E+03 2.41 0 18.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -423 Cds-CsCs_Cds-CsH CsJ-CdCdCs 300-1500 7.93E+02 2.41 0 18.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -424 Cds-CsCs_Cds-CsH CsJ-CbHH 300-1500 3.07E+03 2.41 0 11.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -425 Cds-CsCs_Cds-CsH CsJ-CbCsH 300-1500 7.54E+02 2.41 0 10.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -426 Cds-CsCs_Cds-CsH CsJ-CbCsCs 300-1500 1.21E+02 2.41 0 10.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -427 Cds-CsCs_Cds-CsH CsJ-CtHH 300-1500 2.83E+03 2.41 0 11.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -428 Cds-CsCs_Cds-CsH CsJ-CtCsH 300-1500 6.39E+02 2.41 0 10.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -429 Cds-CsCs_Cds-CsH CsJ-CtCsCs 300-1500 1.63E+02 2.41 0 10.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -430 Cds-CsCs_Cds-CsH CdsJ-H 300-1500 4.29E+03 2.41 0 3.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -431 Cds-CsCs_Cds-CsH CdsJ-Cs 300-1500 2.27E+03 2.41 0 3.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -432 Cds-CsCs_Cds-CsH CbJ 300-1500 6.77E+03 2.41 0 1.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -433 Cds-CsCs_Cds-CsCs CsJ-HHH 300-1500 7.88E+03 2.41 0 7.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -434 Cds-CsCs_Cds-CsCs CsJ-CsHH 300-1500 8.01E+02 2.41 0 6.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -435 Cds-CsCs_Cds-CsCs CsJ-CsCsH 300-1500 6.42E+02 2.41 0 5.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -436 Cds-CsCs_Cds-CsCs CsJ-CsCsCs 300-1500 4.76E+02 2.41 0 4.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -437 Cds-CsCs_Cds-CsCs CsJ-CdHH 300-1500 8.32E+03 2.41 0 13.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -438 Cds-CsCs_Cds-CsCs CsJ-CdCsH 300-1500 1.45E+03 2.41 0 13.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -439 Cds-CsCs_Cds-CsCs CsJ-CdCsCs 300-1500 1.87E+02 2.41 0 12.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -440 Cds-CsCs_Cds-CsCs CsJ-CdCdH 300-1500 2.92E+03 2.41 0 18.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -441 Cds-CsCs_Cds-CsCs CsJ-CdCdCs 300-1500 9.97E+02 2.41 0 17.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -442 Cds-CsCs_Cds-CsCs CsJ-CbHH 300-1500 3.86E+03 2.41 0 11.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -443 Cds-CsCs_Cds-CsCs CsJ-CbCsH 300-1500 9.49E+02 2.41 0 10.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -444 Cds-CsCs_Cds-CsCs CsJ-CbCsCs 300-1500 1.52E+02 2.41 0 10.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -445 Cds-CsCs_Cds-CsCs CsJ-CtHH 300-1500 3.57E+03 2.41 0 11.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -446 Cds-CsCs_Cds-CsCs CsJ-CtCsH 300-1500 8.04E+02 2.41 0 10.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -447 Cds-CsCs_Cds-CsCs CsJ-CtCsCs 300-1500 2.05E+02 2.41 0 9.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -448 Cds-CsCs_Cds-CsCs CdsJ-H 300-1500 5.39E+03 2.41 0 3.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -449 Cds-CsCs_Cds-CsCs CdsJ-Cs 300-1500 2.86E+03 2.41 0 3.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -450 Cds-CsCs_Cds-CsCs CbJ 300-1500 8.52E+03 2.41 0 1.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -451 Cds-CsCs_Cds-CdH CsJ-HHH 300-1500 7.03E+03 2.41 0 4.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -452 Cds-CsCs_Cds-CdH CsJ-CsHH 300-1500 7.14E+02 2.41 0 4.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -453 Cds-CsCs_Cds-CdH CsJ-CsCsH 300-1500 5.73E+02 2.41 0 3.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -454 Cds-CsCs_Cds-CdH CsJ-CsCsCs 300-1500 4.25E+02 2.41 0 1.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -455 Cds-CsCs_Cds-CdH CsJ-CdHH 300-1500 7.42E+03 2.41 0 11.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -456 Cds-CsCs_Cds-CdH CsJ-CdCsH 300-1500 1.29E+03 2.41 0 10.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -457 Cds-CsCs_Cds-CdH CsJ-CdCsCs 300-1500 1.67E+02 2.41 0 10.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -458 Cds-CsCs_Cds-CdH CsJ-CdCdH 300-1500 2.61E+03 2.41 0 15.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -459 Cds-CsCs_Cds-CdH CsJ-CdCdCs 300-1500 8.90E+02 2.41 0 15.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -460 Cds-CsCs_Cds-CdH CsJ-CbHH 300-1500 3.44E+03 2.41 0 8.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -461 Cds-CsCs_Cds-CdH CsJ-CbCsH 300-1500 8.47E+02 2.41 0 8.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -462 Cds-CsCs_Cds-CdH CsJ-CbCsCs 300-1500 1.35E+02 2.41 0 7.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -463 Cds-CsCs_Cds-CdH CsJ-CtHH 300-1500 3.18E+03 2.41 0 8.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -464 Cds-CsCs_Cds-CdH CsJ-CtCsH 300-1500 7.17E+02 2.41 0 8.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -465 Cds-CsCs_Cds-CdH CsJ-CtCsCs 300-1500 1.83E+02 2.41 0 7.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -466 Cds-CsCs_Cds-CdH CdsJ-H 300-1500 4.81E+03 2.41 0 1.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -467 Cds-CsCs_Cds-CdH CdsJ-Cs 300-1500 2.55E+03 2.41 0 0.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -468 Cds-CsCs_Cds-CdH CbJ 300-1500 7.60E+03 2.41 0 -1.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -469 Cds-CsCs_Cds-CdCs CsJ-HHH 300-1500 7.98E+03 2.41 0 4.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -470 Cds-CsCs_Cds-CdCs CsJ-CsHH 300-1500 8.11E+02 2.41 0 3.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -471 Cds-CsCs_Cds-CdCs CsJ-CsCsH 300-1500 6.50E+02 2.41 0 2.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -472 Cds-CsCs_Cds-CdCs CsJ-CsCsCs 300-1500 4.82E+02 2.41 0 1.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -473 Cds-CsCs_Cds-CdCs CsJ-CdHH 300-1500 8.43E+03 2.41 0 10.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -474 Cds-CsCs_Cds-CdCs CsJ-CdCsH 300-1500 1.47E+03 2.41 0 10.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -475 Cds-CsCs_Cds-CdCs CsJ-CdCsCs 300-1500 1.90E+02 2.41 0 9.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -476 Cds-CsCs_Cds-CdCs CsJ-CdCdH 300-1500 2.96E+03 2.41 0 15.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -477 Cds-CsCs_Cds-CdCs CsJ-CdCdCs 300-1500 1.01E+03 2.41 0 15.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -478 Cds-CsCs_Cds-CdCs CsJ-CbHH 300-1500 3.91E+03 2.41 0 8.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -479 Cds-CsCs_Cds-CdCs CsJ-CbCsH 300-1500 9.61E+02 2.41 0 7.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -480 Cds-CsCs_Cds-CdCs CsJ-CbCsCs 300-1500 1.54E+02 2.41 0 7.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -481 Cds-CsCs_Cds-CdCs CsJ-CtHH 300-1500 3.61E+03 2.41 0 8.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -482 Cds-CsCs_Cds-CdCs CsJ-CtCsH 300-1500 8.14E+02 2.41 0 7.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -483 Cds-CsCs_Cds-CdCs CsJ-CtCsCs 300-1500 2.08E+02 2.41 0 7.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -484 Cds-CsCs_Cds-CdCs CdsJ-H 300-1500 5.46E+03 2.41 0 0.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -485 Cds-CsCs_Cds-CdCs CdsJ-Cs 300-1500 2.90E+03 2.41 0 0.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -486 Cds-CsCs_Cds-CdCs CbJ 300-1500 8.63E+03 2.41 0 -1.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -487 Cds-CsCs_Cds-CdCd CsJ-HHH 300-1500 2.43E+04 2.41 0 3.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -488 Cds-CsCs_Cds-CdCd CsJ-CsHH 300-1500 2.47E+03 2.41 0 3.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -489 Cds-CsCs_Cds-CdCd CsJ-CsCsH 300-1500 1.98E+03 2.41 0 1.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -490 Cds-CsCs_Cds-CdCd CsJ-CsCsCs 300-1500 1.47E+03 2.41 0 0.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -491 Cds-CsCs_Cds-CdCd CsJ-CdHH 300-1500 2.57E+04 2.41 0 9.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -492 Cds-CsCs_Cds-CdCd CsJ-CdCsH 300-1500 4.47E+03 2.41 0 9.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -493 Cds-CsCs_Cds-CdCd CsJ-CdCsCs 300-1500 5.78E+02 2.41 0 8.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -494 Cds-CsCs_Cds-CdCd CsJ-CdCdH 300-1500 9.02E+03 2.41 0 14.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -495 Cds-CsCs_Cds-CdCd CsJ-CdCdCs 300-1500 3.08E+03 2.41 0 14.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -496 Cds-CsCs_Cds-CdCd CsJ-CbHH 300-1500 1.19E+04 2.41 0 7.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -497 Cds-CsCs_Cds-CdCd CsJ-CbCsH 300-1500 2.93E+03 2.41 0 6.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -498 Cds-CsCs_Cds-CdCd CsJ-CbCsCs 300-1500 4.68E+02 2.41 0 6.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -499 Cds-CsCs_Cds-CdCd CsJ-CtHH 300-1500 1.10E+04 2.41 0 7.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -500 Cds-CsCs_Cds-CdCd CsJ-CtCsH 300-1500 2.48E+03 2.41 0 6.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -501 Cds-CsCs_Cds-CdCd CsJ-CtCsCs 300-1500 6.33E+02 2.41 0 6.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -502 Cds-CsCs_Cds-CdCd CdsJ-H 300-1500 1.66E+04 2.41 0 -0.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -503 Cds-CsCs_Cds-CdCd CdsJ-Cs 300-1500 8.83E+03 2.41 0 -0.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -504 Cds-CsCs_Cds-CdCd CbJ 300-1500 2.63E+04 2.41 0 -2.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -505 Cds-CsCs_Cds-CbH CsJ-HHH 300-1500 2.30E+03 2.41 0 6.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -506 Cds-CsCs_Cds-CbH CsJ-CsHH 300-1500 2.33E+02 2.41 0 6.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -507 Cds-CsCs_Cds-CbH CsJ-CsCsH 300-1500 1.87E+02 2.41 0 4.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -508 Cds-CsCs_Cds-CbH CsJ-CsCsCs 300-1500 1.39E+02 2.41 0 3.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -509 Cds-CsCs_Cds-CbH CsJ-CdHH 300-1500 2.42E+03 2.41 0 12.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -510 Cds-CsCs_Cds-CbH CsJ-CdCsH 300-1500 4.22E+02 2.41 0 12.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -511 Cds-CsCs_Cds-CbH CsJ-CdCsCs 300-1500 5.46E+01 2.41 0 11.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -512 Cds-CsCs_Cds-CbH CsJ-CdCdH 300-1500 8.51E+02 2.41 0 17.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -513 Cds-CsCs_Cds-CbH CsJ-CdCdCs 300-1500 2.91E+02 2.41 0 17.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -514 Cds-CsCs_Cds-CbH CsJ-CbHH 300-1500 1.12E+03 2.41 0 10.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -515 Cds-CsCs_Cds-CbH CsJ-CbCsH 300-1500 2.76E+02 2.41 0 9.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -516 Cds-CsCs_Cds-CbH CsJ-CbCsCs 300-1500 4.42E+01 2.41 0 9.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -517 Cds-CsCs_Cds-CbH CsJ-CtHH 300-1500 1.04E+03 2.41 0 10.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -518 Cds-CsCs_Cds-CbH CsJ-CtCsH 300-1500 2.34E+02 2.41 0 9.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -519 Cds-CsCs_Cds-CbH CsJ-CtCsCs 300-1500 5.97E+01 2.41 0 9.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -520 Cds-CsCs_Cds-CbH CdsJ-H 300-1500 1.57E+03 2.41 0 2.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -521 Cds-CsCs_Cds-CbH CdsJ-Cs 300-1500 8.33E+02 2.41 0 2.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -522 Cds-CsCs_Cds-CbH CbJ 300-1500 2.48E+03 2.41 0 0.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -523 Cds-CsCs_Cds-CbCs CsJ-HHH 300-1500 4.87E+03 2.41 0 6.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -524 Cds-CsCs_Cds-CbCs CsJ-CsHH 300-1500 4.95E+02 2.41 0 5.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -525 Cds-CsCs_Cds-CbCs CsJ-CsCsH 300-1500 3.97E+02 2.41 0 4.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -526 Cds-CsCs_Cds-CbCs CsJ-CsCsCs 300-1500 2.94E+02 2.41 0 3.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -527 Cds-CsCs_Cds-CbCs CsJ-CdHH 300-1500 5.14E+03 2.41 0 12.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -528 Cds-CsCs_Cds-CbCs CsJ-CdCsH 300-1500 8.95E+02 2.41 0 12.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -529 Cds-CsCs_Cds-CbCs CsJ-CdCsCs 300-1500 1.16E+02 2.41 0 11.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -530 Cds-CsCs_Cds-CbCs CsJ-CdCdH 300-1500 1.80E+03 2.41 0 17.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -531 Cds-CsCs_Cds-CbCs CsJ-CdCdCs 300-1500 6.16E+02 2.41 0 17.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -532 Cds-CsCs_Cds-CbCs CsJ-CbHH 300-1500 2.38E+03 2.41 0 10.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -533 Cds-CsCs_Cds-CbCs CsJ-CbCsH 300-1500 5.86E+02 2.41 0 9.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -534 Cds-CsCs_Cds-CbCs CsJ-CbCsCs 300-1500 9.38E+01 2.41 0 9.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -535 Cds-CsCs_Cds-CbCs CsJ-CtHH 300-1500 2.20E+03 2.41 0 10.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -536 Cds-CsCs_Cds-CbCs CsJ-CtCsH 300-1500 4.97E+02 2.41 0 9.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -537 Cds-CsCs_Cds-CbCs CsJ-CtCsCs 300-1500 1.27E+02 2.41 0 9.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -538 Cds-CsCs_Cds-CbCs CdsJ-H 300-1500 3.33E+03 2.41 0 2.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -539 Cds-CsCs_Cds-CbCs CdsJ-Cs 300-1500 1.77E+03 2.41 0 2.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -540 Cds-CsCs_Cds-CbCs CbJ 300-1500 5.26E+03 2.41 0 0.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -541 Cds-CsCs_Cds-CtH CsJ-HHH 300-1500 9.12E+03 2.41 0 4.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -542 Cds-CsCs_Cds-CtH CsJ-CsHH 300-1500 9.26E+02 2.41 0 4.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -543 Cds-CsCs_Cds-CtH CsJ-CsCsH 300-1500 7.43E+02 2.41 0 3.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -544 Cds-CsCs_Cds-CtH CsJ-CsCsCs 300-1500 5.50E+02 2.41 0 1.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -545 Cds-CsCs_Cds-CtH CsJ-CdHH 300-1500 9.62E+03 2.41 0 11.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -546 Cds-CsCs_Cds-CtH CsJ-CdCsH 300-1500 1.68E+03 2.41 0 10.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -547 Cds-CsCs_Cds-CtH CsJ-CdCsCs 300-1500 2.17E+02 2.41 0 9.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -548 Cds-CsCs_Cds-CtH CsJ-CdCdH 300-1500 3.38E+03 2.41 0 15.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -549 Cds-CsCs_Cds-CtH CsJ-CdCdCs 300-1500 1.15E+03 2.41 0 15.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -550 Cds-CsCs_Cds-CtH CsJ-CbHH 300-1500 4.46E+03 2.41 0 8.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -551 Cds-CsCs_Cds-CtH CsJ-CbCsH 300-1500 1.10E+03 2.41 0 8.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -552 Cds-CsCs_Cds-CtH CsJ-CbCsCs 300-1500 1.76E+02 2.41 0 7.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -553 Cds-CsCs_Cds-CtH CsJ-CtHH 300-1500 4.12E+03 2.41 0 8.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -554 Cds-CsCs_Cds-CtH CsJ-CtCsH 300-1500 9.30E+02 2.41 0 8.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -555 Cds-CsCs_Cds-CtH CsJ-CtCsCs 300-1500 2.37E+02 2.41 0 7.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -556 Cds-CsCs_Cds-CtH CdsJ-H 300-1500 6.24E+03 2.41 0 0.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -557 Cds-CsCs_Cds-CtH CdsJ-Cs 300-1500 3.31E+03 2.41 0 0.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -558 Cds-CsCs_Cds-CtH CbJ 300-1500 9.86E+03 2.41 0 -1.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -559 Cds-CsCs_Cds-CtCs CsJ-HHH 300-1500 9.33E+03 2.41 0 4.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -560 Cds-CsCs_Cds-CtCs CsJ-CsHH 300-1500 9.48E+02 2.41 0 4.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -561 Cds-CsCs_Cds-CtCs CsJ-CsCsH 300-1500 7.61E+02 2.41 0 2.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -562 Cds-CsCs_Cds-CtCs CsJ-CsCsCs 300-1500 5.63E+02 2.41 0 1.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -563 Cds-CsCs_Cds-CtCs CsJ-CdHH 300-1500 9.85E+03 2.41 0 10.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -564 Cds-CsCs_Cds-CtCs CsJ-CdCsH 300-1500 1.72E+03 2.41 0 10.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -565 Cds-CsCs_Cds-CtCs CsJ-CdCsCs 300-1500 2.22E+02 2.41 0 9.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -566 Cds-CsCs_Cds-CtCs CsJ-CdCdH 300-1500 3.46E+03 2.41 0 15.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -567 Cds-CsCs_Cds-CtCs CsJ-CdCdCs 300-1500 1.18E+03 2.41 0 15.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -568 Cds-CsCs_Cds-CtCs CsJ-CbHH 300-1500 4.57E+03 2.41 0 8.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -569 Cds-CsCs_Cds-CtCs CsJ-CbCsH 300-1500 1.12E+03 2.41 0 7.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -570 Cds-CsCs_Cds-CtCs CsJ-CbCsCs 300-1500 1.80E+02 2.41 0 7.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -571 Cds-CsCs_Cds-CtCs CsJ-CtHH 300-1500 4.22E+03 2.41 0 8.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -572 Cds-CsCs_Cds-CtCs CsJ-CtCsH 300-1500 9.52E+02 2.41 0 7.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -573 Cds-CsCs_Cds-CtCs CsJ-CtCsCs 300-1500 2.43E+02 2.41 0 7.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -574 Cds-CsCs_Cds-CtCs CdsJ-H 300-1500 6.39E+03 2.41 0 0.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -575 Cds-CsCs_Cds-CtCs CdsJ-Cs 300-1500 3.39E+03 2.41 0 0.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -576 Cds-CsCs_Cds-CtCs CbJ 300-1500 1.01E+04 2.41 0 -1.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -577 Cds-CsCs_Ca CsJ-HHH 300-1500 6.74E+03 2.41 0 8.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -578 Cds-CsCs_Ca CsJ-CsHH 300-1500 6.84E+02 2.41 0 8.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -579 Cds-CsCs_Ca CsJ-CsCsH 300-1500 5.49E+02 2.41 0 6.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -580 Cds-CsCs_Ca CsJ-CsCsCs 300-1500 4.07E+02 2.41 0 5.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -581 Cds-CsCs_Ca CsJ-CdHH 300-1500 7.11E+03 2.41 0 14.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -582 Cds-CsCs_Ca CsJ-CdCsH 300-1500 1.24E+03 2.41 0 14.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -583 Cds-CsCs_Ca CsJ-CdCsCs 300-1500 1.60E+02 2.41 0 13.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -584 Cds-CsCs_Ca CsJ-CdCdH 300-1500 2.50E+03 2.41 0 19.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -585 Cds-CsCs_Ca CsJ-CdCdCs 300-1500 8.52E+02 2.41 0 19.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -586 Cds-CsCs_Ca CsJ-CbHH 300-1500 3.30E+03 2.41 0 12.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -587 Cds-CsCs_Ca CsJ-CbCsH 300-1500 8.11E+02 2.41 0 11.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -588 Cds-CsCs_Ca CsJ-CbCsCs 300-1500 1.30E+02 2.41 0 11.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -589 Cds-CsCs_Ca CsJ-CtHH 300-1500 3.05E+03 2.41 0 12.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -590 Cds-CsCs_Ca CsJ-CtCsH 300-1500 6.87E+02 2.41 0 11.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -591 Cds-CsCs_Ca CsJ-CtCsCs 300-1500 1.75E+02 2.41 0 11.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -592 Cds-CsCs_Ca CdsJ-H 300-1500 4.61E+03 2.41 0 4.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -593 Cds-CsCs_Ca CdsJ-Cs 300-1500 2.44E+03 2.41 0 4.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -594 Cds-CsCs_Ca CbJ 300-1500 7.28E+03 2.41 0 2.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -595 Cds-CdH_Cds-HH CsJ-HHH 300-1500 1.32E+04 2.41 0 7.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -596 Cds-CdH_Cds-HH CsJ-CsHH 300-1500 1.34E+03 2.41 0 6.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -597 Cds-CdH_Cds-HH CsJ-CsCsH 300-1500 1.08E+03 2.41 0 5.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -598 Cds-CdH_Cds-HH CsJ-CsCsCs 300-1500 7.98E+02 2.41 0 3.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -599 Cds-CdH_Cds-HH CsJ-CdHH 300-1500 1.40E+04 2.41 0 13.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -600 Cds-CdH_Cds-HH CsJ-CdCsH 300-1500 2.43E+03 2.41 0 13.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -601 Cds-CdH_Cds-HH CsJ-CdCsCs 300-1500 3.14E+02 2.41 0 12.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -602 Cds-CdH_Cds-HH CsJ-CdCdH 300-1500 4.90E+03 2.41 0 17.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -603 Cds-CdH_Cds-HH CsJ-CdCdCs 300-1500 1.67E+03 2.41 0 17.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -604 Cds-CdH_Cds-HH CsJ-CbHH 300-1500 6.47E+03 2.41 0 11.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -605 Cds-CdH_Cds-HH CsJ-CbCsH 300-1500 1.59E+03 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -606 Cds-CdH_Cds-HH CsJ-CbCsCs 300-1500 2.55E+02 2.41 0 9.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -607 Cds-CdH_Cds-HH CsJ-CtHH 300-1500 5.98E+03 2.41 0 10.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -608 Cds-CdH_Cds-HH CsJ-CtCsH 300-1500 1.35E+03 2.41 0 10.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -609 Cds-CdH_Cds-HH CsJ-CtCsCs 300-1500 3.44E+02 2.41 0 9.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -610 Cds-CdH_Cds-HH CdsJ-H 300-1500 9.05E+03 2.41 0 3.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -611 Cds-CdH_Cds-HH CdsJ-Cs 300-1500 4.80E+03 2.41 0 3.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -612 Cds-CdH_Cds-HH CbJ 300-1500 1.43E+04 2.41 0 0.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -613 Cds-CdH_Cds-CsH CsJ-HHH 300-1500 1.33E+04 2.41 0 6.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -614 Cds-CdH_Cds-CsH CsJ-CsHH 300-1500 1.35E+03 2.41 0 6.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -615 Cds-CdH_Cds-CsH CsJ-CsCsH 300-1500 1.08E+03 2.41 0 4.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -616 Cds-CdH_Cds-CsH CsJ-CsCsCs 300-1500 8.01E+02 2.41 0 3.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -617 Cds-CdH_Cds-CsH CsJ-CdHH 300-1500 1.40E+04 2.41 0 13.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -618 Cds-CdH_Cds-CsH CsJ-CdCsH 300-1500 2.44E+03 2.41 0 12.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -619 Cds-CdH_Cds-CsH CsJ-CdCsCs 300-1500 3.16E+02 2.41 0 11.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -620 Cds-CdH_Cds-CsH CsJ-CdCdH 300-1500 4.92E+03 2.41 0 17.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -621 Cds-CdH_Cds-CsH CsJ-CdCdCs 300-1500 1.68E+03 2.41 0 17.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -622 Cds-CdH_Cds-CsH CsJ-CbHH 300-1500 6.50E+03 2.41 0 10.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -623 Cds-CdH_Cds-CsH CsJ-CbCsH 300-1500 1.60E+03 2.41 0 10.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -624 Cds-CdH_Cds-CsH CsJ-CbCsCs 300-1500 2.56E+02 2.41 0 9.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -625 Cds-CdH_Cds-CsH CsJ-CtHH 300-1500 6.01E+03 2.41 0 10.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -626 Cds-CdH_Cds-CsH CsJ-CtCsH 300-1500 1.35E+03 2.41 0 10.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -627 Cds-CdH_Cds-CsH CsJ-CtCsCs 300-1500 3.46E+02 2.41 0 9.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -628 Cds-CdH_Cds-CsH CdsJ-H 300-1500 9.09E+03 2.41 0 2.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -629 Cds-CdH_Cds-CsH CdsJ-Cs 300-1500 4.82E+03 2.41 0 2.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -630 Cds-CdH_Cds-CsH CbJ 300-1500 1.44E+04 2.41 0 0.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -631 Cds-CdH_Cds-CsCs CsJ-HHH 300-1500 1.67E+04 2.41 0 6.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -632 Cds-CdH_Cds-CsCs CsJ-CsHH 300-1500 1.70E+03 2.41 0 5.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -633 Cds-CdH_Cds-CsCs CsJ-CsCsH 300-1500 1.36E+03 2.41 0 4.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -634 Cds-CdH_Cds-CsCs CsJ-CsCsCs 300-1500 1.01E+03 2.41 0 3.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -635 Cds-CdH_Cds-CsCs CsJ-CdHH 300-1500 1.76E+04 2.41 0 12.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -636 Cds-CdH_Cds-CsCs CsJ-CdCsH 300-1500 3.07E+03 2.41 0 12.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -637 Cds-CdH_Cds-CsCs CsJ-CdCsCs 300-1500 3.97E+02 2.41 0 11.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -638 Cds-CdH_Cds-CsCs CsJ-CdCdH 300-1500 6.19E+03 2.41 0 17.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -639 Cds-CdH_Cds-CsCs CsJ-CdCdCs 300-1500 2.11E+03 2.41 0 17.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -640 Cds-CdH_Cds-CsCs CsJ-CbHH 300-1500 8.18E+03 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -641 Cds-CdH_Cds-CsCs CsJ-CbCsH 300-1500 2.01E+03 2.41 0 9.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -642 Cds-CdH_Cds-CsCs CsJ-CbCsCs 300-1500 3.22E+02 2.41 0 9.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -643 Cds-CdH_Cds-CsCs CsJ-CtHH 300-1500 7.56E+03 2.41 0 10.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -644 Cds-CdH_Cds-CsCs CsJ-CtCsH 300-1500 1.70E+03 2.41 0 9.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -645 Cds-CdH_Cds-CsCs CsJ-CtCsCs 300-1500 4.35E+02 2.41 0 8.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -646 Cds-CdH_Cds-CsCs CdsJ-H 300-1500 1.14E+04 2.41 0 2.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -647 Cds-CdH_Cds-CsCs CdsJ-Cs 300-1500 6.06E+03 2.41 0 2.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -648 Cds-CdH_Cds-CsCs CbJ 300-1500 1.81E+04 2.41 0 0.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -649 Cds-CdH_Cds-CdH CsJ-HHH 300-1500 1.49E+04 2.41 0 3.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -650 Cds-CdH_Cds-CdH CsJ-CsHH 300-1500 1.51E+03 2.41 0 3.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -651 Cds-CdH_Cds-CdH CsJ-CsCsH 300-1500 1.21E+03 2.41 0 2.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -652 Cds-CdH_Cds-CdH CsJ-CsCsCs 300-1500 9.00E+02 2.41 0 0.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -653 Cds-CdH_Cds-CdH CsJ-CdHH 300-1500 1.57E+04 2.41 0 10.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -654 Cds-CdH_Cds-CdH CsJ-CdCsH 300-1500 2.74E+03 2.41 0 10.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -655 Cds-CdH_Cds-CdH CsJ-CdCsCs 300-1500 3.54E+02 2.41 0 9.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -656 Cds-CdH_Cds-CdH CsJ-CdCdH 300-1500 5.53E+03 2.41 0 14.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -657 Cds-CdH_Cds-CdH CsJ-CdCdCs 300-1500 1.89E+03 2.41 0 14.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -658 Cds-CdH_Cds-CdH CsJ-CbHH 300-1500 7.30E+03 2.41 0 7.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -659 Cds-CdH_Cds-CdH CsJ-CbCsH 300-1500 1.79E+03 2.41 0 7.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -660 Cds-CdH_Cds-CdH CsJ-CbCsCs 300-1500 2.87E+02 2.41 0 6.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -661 Cds-CdH_Cds-CdH CsJ-CtHH 300-1500 6.75E+03 2.41 0 7.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -662 Cds-CdH_Cds-CdH CsJ-CtCsH 300-1500 1.52E+03 2.41 0 7.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -663 Cds-CdH_Cds-CdH CsJ-CtCsCs 300-1500 3.88E+02 2.41 0 6.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -664 Cds-CdH_Cds-CdH CdsJ-H 300-1500 1.02E+04 2.41 0 0.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -665 Cds-CdH_Cds-CdH CdsJ-Cs 300-1500 5.41E+03 2.41 0 -0.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -666 Cds-CdH_Cds-CdH CbJ 300-1500 1.61E+04 2.41 0 -2.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -667 Cds-CdH_Cds-CdCs CsJ-HHH 300-1500 1.69E+04 2.41 0 3.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -668 Cds-CdH_Cds-CdCs CsJ-CsHH 300-1500 1.72E+03 2.41 0 2.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -669 Cds-CdH_Cds-CdCs CsJ-CsCsH 300-1500 1.38E+03 2.41 0 1.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -670 Cds-CdH_Cds-CdCs CsJ-CsCsCs 300-1500 1.02E+03 2.41 0 0.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -671 Cds-CdH_Cds-CdCs CsJ-CdHH 300-1500 1.79E+04 2.41 0 9.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -672 Cds-CdH_Cds-CdCs CsJ-CdCsH 300-1500 3.11E+03 2.41 0 9.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -673 Cds-CdH_Cds-CdCs CsJ-CdCsCs 300-1500 4.02E+02 2.41 0 8.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -674 Cds-CdH_Cds-CdCs CsJ-CdCdH 300-1500 6.27E+03 2.41 0 14.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -675 Cds-CdH_Cds-CdCs CsJ-CdCdCs 300-1500 2.14E+03 2.41 0 14.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -676 Cds-CdH_Cds-CdCs CsJ-CbHH 300-1500 8.28E+03 2.41 0 7.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -677 Cds-CdH_Cds-CdCs CsJ-CbCsH 300-1500 2.04E+03 2.41 0 6.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -678 Cds-CdH_Cds-CdCs CsJ-CbCsCs 300-1500 3.26E+02 2.41 0 6.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -679 Cds-CdH_Cds-CdCs CsJ-CtHH 300-1500 7.66E+03 2.41 0 7.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -680 Cds-CdH_Cds-CdCs CsJ-CtCsH 300-1500 1.73E+03 2.41 0 6.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -681 Cds-CdH_Cds-CdCs CsJ-CtCsCs 300-1500 4.40E+02 2.41 0 6.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -682 Cds-CdH_Cds-CdCs CdsJ-H 300-1500 1.16E+04 2.41 0 -0.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -683 Cds-CdH_Cds-CdCs CdsJ-Cs 300-1500 6.14E+03 2.41 0 -0.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -684 Cds-CdH_Cds-CdCs CbJ 300-1500 1.83E+04 2.41 0 -2.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -685 Cds-CdH_Cds-CdCd CsJ-HHH 300-1500 5.16E+04 2.41 0 2.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -686 Cds-CdH_Cds-CdCd CsJ-CsHH 300-1500 5.24E+03 2.41 0 2.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -687 Cds-CdH_Cds-CdCd CsJ-CsCsH 300-1500 4.20E+03 2.41 0 0.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -688 Cds-CdH_Cds-CdCd CsJ-CsCsCs 300-1500 3.11E+03 2.41 0 -0.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -689 Cds-CdH_Cds-CdCd CsJ-CdHH 300-1500 5.44E+04 2.41 0 8.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -690 Cds-CdH_Cds-CdCd CsJ-CdCsH 300-1500 9.48E+03 2.41 0 8.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -691 Cds-CdH_Cds-CdCd CsJ-CdCsCs 300-1500 1.23E+03 2.41 0 7.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -692 Cds-CdH_Cds-CdCd CsJ-CdCdH 300-1500 1.91E+04 2.41 0 13.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -693 Cds-CdH_Cds-CdCd CsJ-CdCdCs 300-1500 6.53E+03 2.41 0 13.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -694 Cds-CdH_Cds-CdCd CsJ-CbHH 300-1500 2.52E+04 2.41 0 6.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -695 Cds-CdH_Cds-CdCd CsJ-CbCsH 300-1500 6.21E+03 2.41 0 5.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -696 Cds-CdH_Cds-CdCd CsJ-CbCsCs 300-1500 9.93E+02 2.41 0 5.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -697 Cds-CdH_Cds-CdCd CsJ-CtHH 300-1500 2.33E+04 2.41 0 6.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -698 Cds-CdH_Cds-CdCd CsJ-CtCsH 300-1500 5.26E+03 2.41 0 5.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -699 Cds-CdH_Cds-CdCd CsJ-CtCsCs 300-1500 1.34E+03 2.41 0 5.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -700 Cds-CdH_Cds-CdCd CdsJ-H 300-1500 3.53E+04 2.41 0 -1.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -701 Cds-CdH_Cds-CdCd CdsJ-Cs 300-1500 1.87E+04 2.41 0 -1.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -702 Cds-CdH_Cds-CdCd CbJ 300-1500 5.57E+04 2.41 0 -3.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -703 Cds-CdH_Cds-CbH CsJ-HHH 300-1500 4.87E+03 2.41 0 5.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -704 Cds-CdH_Cds-CbH CsJ-CsHH 300-1500 4.94E+02 2.41 0 5.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -705 Cds-CdH_Cds-CbH CsJ-CsCsH 300-1500 3.97E+02 2.41 0 3.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -706 Cds-CdH_Cds-CbH CsJ-CsCsCs 300-1500 2.94E+02 2.41 0 2.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -707 Cds-CdH_Cds-CbH CsJ-CdHH 300-1500 5.14E+03 2.41 0 12.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -708 Cds-CdH_Cds-CbH CsJ-CdCsH 300-1500 8.95E+02 2.41 0 11.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -709 Cds-CdH_Cds-CbH CsJ-CdCsCs 300-1500 1.16E+02 2.41 0 10.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -710 Cds-CdH_Cds-CbH CsJ-CdCdH 300-1500 1.80E+03 2.41 0 16.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -711 Cds-CdH_Cds-CbH CsJ-CdCdCs 300-1500 6.16E+02 2.41 0 16.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -712 Cds-CdH_Cds-CbH CsJ-CbHH 300-1500 2.38E+03 2.41 0 9.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -713 Cds-CdH_Cds-CbH CsJ-CbCsH 300-1500 5.86E+02 2.41 0 8.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -714 Cds-CdH_Cds-CbH CsJ-CbCsCs 300-1500 9.37E+01 2.41 0 8.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -715 Cds-CdH_Cds-CbH CsJ-CtHH 300-1500 2.20E+03 2.41 0 9.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -716 Cds-CdH_Cds-CbH CsJ-CtCsH 300-1500 4.96E+02 2.41 0 8.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -717 Cds-CdH_Cds-CbH CsJ-CtCsCs 300-1500 1.27E+02 2.41 0 8.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -718 Cds-CdH_Cds-CbH CdsJ-H 300-1500 3.33E+03 2.41 0 1.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -719 Cds-CdH_Cds-CbH CdsJ-Cs 300-1500 1.77E+03 2.41 0 1.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -720 Cds-CdH_Cds-CbH CbJ 300-1500 5.26E+03 2.41 0 -0.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -721 Cds-CdH_Cds-CbCs CsJ-HHH 300-1500 1.03E+04 2.41 0 5.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -722 Cds-CdH_Cds-CbCs CsJ-CsHH 300-1500 1.05E+03 2.41 0 4.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -723 Cds-CdH_Cds-CbCs CsJ-CsCsH 300-1500 8.41E+02 2.41 0 3.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -724 Cds-CdH_Cds-CbCs CsJ-CsCsCs 300-1500 6.23E+02 2.41 0 2.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -725 Cds-CdH_Cds-CbCs CsJ-CdHH 300-1500 1.09E+04 2.41 0 11.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -726 Cds-CdH_Cds-CbCs CsJ-CdCsH 300-1500 1.90E+03 2.41 0 11.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -727 Cds-CdH_Cds-CbCs CsJ-CdCsCs 300-1500 2.45E+02 2.41 0 10.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -728 Cds-CdH_Cds-CbCs CsJ-CdCdH 300-1500 3.83E+03 2.41 0 16.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -729 Cds-CdH_Cds-CbCs CsJ-CdCdCs 300-1500 1.31E+03 2.41 0 16.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -730 Cds-CdH_Cds-CbCs CsJ-CbHH 300-1500 5.05E+03 2.41 0 9.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -731 Cds-CdH_Cds-CbCs CsJ-CbCsH 300-1500 1.24E+03 2.41 0 8.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -732 Cds-CdH_Cds-CbCs CsJ-CbCsCs 300-1500 1.99E+02 2.41 0 8.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -733 Cds-CdH_Cds-CbCs CsJ-CtHH 300-1500 4.67E+03 2.41 0 9.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -734 Cds-CdH_Cds-CbCs CsJ-CtCsH 300-1500 1.05E+03 2.41 0 8.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -735 Cds-CdH_Cds-CbCs CsJ-CtCsCs 300-1500 2.69E+02 2.41 0 8.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -736 Cds-CdH_Cds-CbCs CdsJ-H 300-1500 7.06E+03 2.41 0 1.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -737 Cds-CdH_Cds-CbCs CdsJ-Cs 300-1500 3.74E+03 2.41 0 1.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -738 Cds-CdH_Cds-CbCs CbJ 300-1500 1.12E+04 2.41 0 -0.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -739 Cds-CdH_Cds-CtH CsJ-HHH 300-1500 1.93E+04 2.41 0 3.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -740 Cds-CdH_Cds-CtH CsJ-CsHH 300-1500 1.96E+03 2.41 0 3.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -741 Cds-CdH_Cds-CtH CsJ-CsCsH 300-1500 1.57E+03 2.41 0 2.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -742 Cds-CdH_Cds-CtH CsJ-CsCsCs 300-1500 1.17E+03 2.41 0 0.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -743 Cds-CdH_Cds-CtH CsJ-CdHH 300-1500 2.04E+04 2.41 0 10.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -744 Cds-CdH_Cds-CtH CsJ-CdCsH 300-1500 3.55E+03 2.41 0 9.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -745 Cds-CdH_Cds-CtH CsJ-CdCsCs 300-1500 4.60E+02 2.41 0 8.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -746 Cds-CdH_Cds-CtH CsJ-CdCdH 300-1500 7.16E+03 2.41 0 14.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -747 Cds-CdH_Cds-CtH CsJ-CdCdCs 300-1500 2.45E+03 2.41 0 14.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -748 Cds-CdH_Cds-CtH CsJ-CbHH 300-1500 9.46E+03 2.41 0 7.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -749 Cds-CdH_Cds-CtH CsJ-CbCsH 300-1500 2.33E+03 2.41 0 7.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -750 Cds-CdH_Cds-CtH CsJ-CbCsCs 300-1500 3.72E+02 2.41 0 6.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -751 Cds-CdH_Cds-CtH CsJ-CtHH 300-1500 8.74E+03 2.41 0 7.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -752 Cds-CdH_Cds-CtH CsJ-CtCsH 300-1500 1.97E+03 2.41 0 7.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -753 Cds-CdH_Cds-CtH CsJ-CtCsCs 300-1500 5.03E+02 2.41 0 6.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -754 Cds-CdH_Cds-CtH CdsJ-H 300-1500 1.32E+04 2.41 0 -0.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -755 Cds-CdH_Cds-CtH CdsJ-Cs 300-1500 7.01E+03 2.41 0 -0.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -756 Cds-CdH_Cds-CtH CbJ 300-1500 2.09E+04 2.41 0 -2.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -757 Cds-CdH_Cds-CtCs CsJ-HHH 300-1500 1.98E+04 2.41 0 3.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -758 Cds-CdH_Cds-CtCs CsJ-CsHH 300-1500 2.01E+03 2.41 0 3.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -759 Cds-CdH_Cds-CtCs CsJ-CsCsH 300-1500 1.61E+03 2.41 0 1.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -760 Cds-CdH_Cds-CtCs CsJ-CsCsCs 300-1500 1.19E+03 2.41 0 0.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -761 Cds-CdH_Cds-CtCs CsJ-CdHH 300-1500 2.09E+04 2.41 0 10.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -762 Cds-CdH_Cds-CtCs CsJ-CdCsH 300-1500 3.64E+03 2.41 0 9.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -763 Cds-CdH_Cds-CtCs CsJ-CdCsCs 300-1500 4.70E+02 2.41 0 8.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -764 Cds-CdH_Cds-CtCs CsJ-CdCdH 300-1500 7.33E+03 2.41 0 14.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -765 Cds-CdH_Cds-CtCs CsJ-CdCdCs 300-1500 2.50E+03 2.41 0 14.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -766 Cds-CdH_Cds-CtCs CsJ-CbHH 300-1500 9.68E+03 2.41 0 7.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -767 Cds-CdH_Cds-CtCs CsJ-CbCsH 300-1500 2.38E+03 2.41 0 6.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -768 Cds-CdH_Cds-CtCs CsJ-CbCsCs 300-1500 3.81E+02 2.41 0 6.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -769 Cds-CdH_Cds-CtCs CsJ-CtHH 300-1500 8.95E+03 2.41 0 7.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -770 Cds-CdH_Cds-CtCs CsJ-CtCsH 300-1500 2.02E+03 2.41 0 6.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -771 Cds-CdH_Cds-CtCs CsJ-CtCsCs 300-1500 5.15E+02 2.41 0 6.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -772 Cds-CdH_Cds-CtCs CdsJ-H 300-1500 1.35E+04 2.41 0 -0.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -773 Cds-CdH_Cds-CtCs CdsJ-Cs 300-1500 7.18E+03 2.41 0 -0.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -774 Cds-CdH_Cds-CtCs CbJ 300-1500 2.14E+04 2.41 0 -2.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -775 Cds-CdH_Ca CsJ-HHH 300-1500 1.43E+04 2.41 0 7.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -776 Cds-CdH_Ca CsJ-CsHH 300-1500 1.45E+03 2.41 0 7.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -777 Cds-CdH_Ca CsJ-CsCsH 300-1500 1.16E+03 2.41 0 5.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -778 Cds-CdH_Ca CsJ-CsCsCs 300-1500 8.62E+02 2.41 0 4.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -779 Cds-CdH_Ca CsJ-CdHH 300-1500 1.51E+04 2.41 0 13.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -780 Cds-CdH_Ca CsJ-CdCsH 300-1500 2.63E+03 2.41 0 13.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -781 Cds-CdH_Ca CsJ-CdCsCs 300-1500 3.39E+02 2.41 0 12.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -782 Cds-CdH_Ca CsJ-CdCdH 300-1500 5.29E+03 2.41 0 18.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -783 Cds-CdH_Ca CsJ-CdCdCs 300-1500 1.81E+03 2.41 0 18.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -784 Cds-CdH_Ca CsJ-CbHH 300-1500 6.99E+03 2.41 0 11.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -785 Cds-CdH_Ca CsJ-CbCsH 300-1500 1.72E+03 2.41 0 10.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -786 Cds-CdH_Ca CsJ-CbCsCs 300-1500 2.75E+02 2.41 0 10.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -787 Cds-CdH_Ca CsJ-CtHH 300-1500 6.46E+03 2.41 0 11.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -788 Cds-CdH_Ca CsJ-CtCsH 300-1500 1.46E+03 2.41 0 10.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -789 Cds-CdH_Ca CsJ-CtCsCs 300-1500 3.72E+02 2.41 0 10.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -790 Cds-CdH_Ca CdsJ-H 300-1500 9.77E+03 2.41 0 3.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -791 Cds-CdH_Ca CdsJ-Cs 300-1500 5.18E+03 2.41 0 3.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -792 Cds-CdH_Ca CbJ 300-1500 1.54E+04 2.41 0 1.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -793 Cds-CdCs_Cds-HH CsJ-HHH 300-1500 6.64E+03 2.41 0 8.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -794 Cds-CdCs_Cds-HH CsJ-CsHH 300-1500 6.74E+02 2.41 0 7.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -795 Cds-CdCs_Cds-HH CsJ-CsCsH 300-1500 5.41E+02 2.41 0 6.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -796 Cds-CdCs_Cds-HH CsJ-CsCsCs 300-1500 4.00E+02 2.41 0 4.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -797 Cds-CdCs_Cds-HH CsJ-CdHH 300-1500 7.00E+03 2.41 0 14.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -798 Cds-CdCs_Cds-HH CsJ-CdCsH 300-1500 1.22E+03 2.41 0 14.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -799 Cds-CdCs_Cds-HH CsJ-CdCsCs 300-1500 1.58E+02 2.41 0 13.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -800 Cds-CdCs_Cds-HH CsJ-CdCdH 300-1500 2.46E+03 2.41 0 18.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -801 Cds-CdCs_Cds-HH CsJ-CdCdCs 300-1500 8.40E+02 2.41 0 18.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -802 Cds-CdCs_Cds-HH CsJ-CbHH 300-1500 3.25E+03 2.41 0 12.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -803 Cds-CdCs_Cds-HH CsJ-CbCsH 300-1500 7.99E+02 2.41 0 11.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -804 Cds-CdCs_Cds-HH CsJ-CbCsCs 300-1500 1.28E+02 2.41 0 10.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -805 Cds-CdCs_Cds-HH CsJ-CtHH 300-1500 3.00E+03 2.41 0 11.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -806 Cds-CdCs_Cds-HH CsJ-CtCsH 300-1500 6.77E+02 2.41 0 11.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -807 Cds-CdCs_Cds-HH CsJ-CtCsCs 300-1500 1.73E+02 2.41 0 10.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -808 Cds-CdCs_Cds-HH CdsJ-H 300-1500 4.54E+03 2.41 0 4.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -809 Cds-CdCs_Cds-HH CdsJ-Cs 300-1500 2.41E+03 2.41 0 4.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -810 Cds-CdCs_Cds-HH CbJ 300-1500 7.17E+03 2.41 0 1.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -811 Cds-CdCs_Cds-CsH CsJ-HHH 300-1500 6.66E+03 2.41 0 7.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -812 Cds-CdCs_Cds-CsH CsJ-CsHH 300-1500 6.77E+02 2.41 0 7.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -813 Cds-CdCs_Cds-CsH CsJ-CsCsH 300-1500 5.43E+02 2.41 0 6.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -814 Cds-CdCs_Cds-CsH CsJ-CsCsCs 300-1500 4.02E+02 2.41 0 4.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -815 Cds-CdCs_Cds-CsH CsJ-CdHH 300-1500 7.03E+03 2.41 0 14.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -816 Cds-CdCs_Cds-CsH CsJ-CdCsH 300-1500 1.22E+03 2.41 0 13.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -817 Cds-CdCs_Cds-CsH CsJ-CdCsCs 300-1500 1.58E+02 2.41 0 12.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -818 Cds-CdCs_Cds-CsH CsJ-CdCdH 300-1500 2.47E+03 2.41 0 18.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -819 Cds-CdCs_Cds-CsH CsJ-CdCdCs 300-1500 8.43E+02 2.41 0 18.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -820 Cds-CdCs_Cds-CsH CsJ-CbHH 300-1500 3.26E+03 2.41 0 11.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -821 Cds-CdCs_Cds-CsH CsJ-CbCsH 300-1500 8.02E+02 2.41 0 11.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -822 Cds-CdCs_Cds-CsH CsJ-CbCsCs 300-1500 1.28E+02 2.41 0 10.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -823 Cds-CdCs_Cds-CsH CsJ-CtHH 300-1500 3.01E+03 2.41 0 11.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -824 Cds-CdCs_Cds-CsH CsJ-CtCsH 300-1500 6.80E+02 2.41 0 11.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -825 Cds-CdCs_Cds-CsH CsJ-CtCsCs 300-1500 1.73E+02 2.41 0 10.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -826 Cds-CdCs_Cds-CsH CdsJ-H 300-1500 4.56E+03 2.41 0 3.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -827 Cds-CdCs_Cds-CsH CdsJ-Cs 300-1500 2.42E+03 2.41 0 3.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -828 Cds-CdCs_Cds-CsH CbJ 300-1500 7.20E+03 2.41 0 1.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -829 Cds-CdCs_Cds-CsCs CsJ-HHH 300-1500 8.38E+03 2.41 0 7.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -830 Cds-CdCs_Cds-CsCs CsJ-CsHH 300-1500 8.51E+02 2.41 0 6.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -831 Cds-CdCs_Cds-CsCs CsJ-CsCsH 300-1500 6.83E+02 2.41 0 5.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -832 Cds-CdCs_Cds-CsCs CsJ-CsCsCs 300-1500 5.06E+02 2.41 0 4.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -833 Cds-CdCs_Cds-CsCs CsJ-CdHH 300-1500 8.85E+03 2.41 0 13.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -834 Cds-CdCs_Cds-CsCs CsJ-CdCsH 300-1500 1.54E+03 2.41 0 13.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -835 Cds-CdCs_Cds-CsCs CsJ-CdCsCs 300-1500 1.99E+02 2.41 0 12.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -836 Cds-CdCs_Cds-CsCs CsJ-CdCdH 300-1500 3.11E+03 2.41 0 18.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -837 Cds-CdCs_Cds-CsCs CsJ-CdCdCs 300-1500 1.06E+03 2.41 0 18.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -838 Cds-CdCs_Cds-CsCs CsJ-CbHH 300-1500 4.10E+03 2.41 0 11.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -839 Cds-CdCs_Cds-CsCs CsJ-CbCsH 300-1500 1.01E+03 2.41 0 10.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -840 Cds-CdCs_Cds-CsCs CsJ-CbCsCs 300-1500 1.61E+02 2.41 0 10.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -841 Cds-CdCs_Cds-CsCs CsJ-CtHH 300-1500 3.79E+03 2.41 0 11.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -842 Cds-CdCs_Cds-CsCs CsJ-CtCsH 300-1500 8.55E+02 2.41 0 10.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -843 Cds-CdCs_Cds-CsCs CsJ-CtCsCs 300-1500 2.18E+02 2.41 0 10.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -844 Cds-CdCs_Cds-CsCs CdsJ-H 300-1500 5.73E+03 2.41 0 3.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -845 Cds-CdCs_Cds-CsCs CdsJ-Cs 300-1500 3.04E+03 2.41 0 3.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -846 Cds-CdCs_Cds-CsCs CbJ 300-1500 9.06E+03 2.41 0 1.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -847 Cds-CdCs_Cds-CdH CsJ-HHH 300-1500 7.48E+03 2.41 0 5.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -848 Cds-CdCs_Cds-CdH CsJ-CsHH 300-1500 7.60E+02 2.41 0 4.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -849 Cds-CdCs_Cds-CdH CsJ-CsCsH 300-1500 6.10E+02 2.41 0 3.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -850 Cds-CdCs_Cds-CdH CsJ-CsCsCs 300-1500 4.51E+02 2.41 0 1.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -851 Cds-CdCs_Cds-CdH CsJ-CdHH 300-1500 7.90E+03 2.41 0 11.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -852 Cds-CdCs_Cds-CdH CsJ-CdCsH 300-1500 1.38E+03 2.41 0 11.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -853 Cds-CdCs_Cds-CdH CsJ-CdCsCs 300-1500 1.78E+02 2.41 0 10.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -854 Cds-CdCs_Cds-CdH CsJ-CdCdH 300-1500 2.77E+03 2.41 0 15.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -855 Cds-CdCs_Cds-CdH CsJ-CdCdCs 300-1500 9.47E+02 2.41 0 15.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -856 Cds-CdCs_Cds-CdH CsJ-CbHH 300-1500 3.66E+03 2.41 0 8.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -857 Cds-CdCs_Cds-CdH CsJ-CbCsH 300-1500 9.00E+02 2.41 0 8.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -858 Cds-CdCs_Cds-CdH CsJ-CbCsCs 300-1500 1.44E+02 2.41 0 7.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -859 Cds-CdCs_Cds-CdH CsJ-CtHH 300-1500 3.38E+03 2.41 0 8.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -860 Cds-CdCs_Cds-CdH CsJ-CtCsH 300-1500 7.63E+02 2.41 0 8.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -861 Cds-CdCs_Cds-CdH CsJ-CtCsCs 300-1500 1.95E+02 2.41 0 7.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -862 Cds-CdCs_Cds-CdH CdsJ-H 300-1500 5.12E+03 2.41 0 1.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -863 Cds-CdCs_Cds-CdH CdsJ-Cs 300-1500 2.71E+03 2.41 0 0.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -864 Cds-CdCs_Cds-CdH CbJ 300-1500 8.09E+03 2.41 0 -1.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -865 Cds-CdCs_Cds-CdCs CsJ-HHH 300-1500 8.49E+03 2.41 0 4.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -866 Cds-CdCs_Cds-CdCs CsJ-CsHH 300-1500 8.62E+02 2.41 0 4.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -867 Cds-CdCs_Cds-CdCs CsJ-CsCsH 300-1500 6.92E+02 2.41 0 2.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -868 Cds-CdCs_Cds-CdCs CsJ-CsCsCs 300-1500 5.12E+02 2.41 0 1.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -869 Cds-CdCs_Cds-CdCs CsJ-CdHH 300-1500 8.96E+03 2.41 0 10.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -870 Cds-CdCs_Cds-CdCs CsJ-CdCsH 300-1500 1.56E+03 2.41 0 10.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -871 Cds-CdCs_Cds-CdCs CsJ-CdCsCs 300-1500 2.02E+02 2.41 0 9.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -872 Cds-CdCs_Cds-CdCs CsJ-CdCdH 300-1500 3.15E+03 2.41 0 15.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -873 Cds-CdCs_Cds-CdCs CsJ-CdCdCs 300-1500 1.07E+03 2.41 0 15.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -874 Cds-CdCs_Cds-CdCs CsJ-CbHH 300-1500 4.16E+03 2.41 0 8.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -875 Cds-CdCs_Cds-CdCs CsJ-CbCsH 300-1500 1.02E+03 2.41 0 7.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -876 Cds-CdCs_Cds-CdCs CsJ-CbCsCs 300-1500 1.64E+02 2.41 0 7.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -877 Cds-CdCs_Cds-CdCs CsJ-CtHH 300-1500 3.84E+03 2.41 0 8.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -878 Cds-CdCs_Cds-CdCs CsJ-CtCsH 300-1500 8.66E+02 2.41 0 7.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -879 Cds-CdCs_Cds-CdCs CsJ-CtCsCs 300-1500 2.21E+02 2.41 0 7.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -880 Cds-CdCs_Cds-CdCs CdsJ-H 300-1500 5.81E+03 2.41 0 0.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -881 Cds-CdCs_Cds-CdCs CdsJ-Cs 300-1500 3.08E+03 2.41 0 0.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -882 Cds-CdCs_Cds-CdCs CbJ 300-1500 9.18E+03 2.41 0 -1.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -883 Cds-CdCs_Cds-CdCd CsJ-HHH 300-1500 2.59E+04 2.41 0 3.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -884 Cds-CdCs_Cds-CdCd CsJ-CsHH 300-1500 2.63E+03 2.41 0 3.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -885 Cds-CdCs_Cds-CdCd CsJ-CsCsH 300-1500 2.11E+03 2.41 0 1.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -886 Cds-CdCs_Cds-CdCd CsJ-CsCsCs 300-1500 1.56E+03 2.41 0 0.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -887 Cds-CdCs_Cds-CdCd CsJ-CdHH 300-1500 2.73E+04 2.41 0 9.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -888 Cds-CdCs_Cds-CdCd CsJ-CdCsH 300-1500 4.76E+03 2.41 0 9.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -889 Cds-CdCs_Cds-CdCd CsJ-CdCsCs 300-1500 6.15E+02 2.41 0 8.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -890 Cds-CdCs_Cds-CdCd CsJ-CdCdH 300-1500 9.59E+03 2.41 0 14.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -891 Cds-CdCs_Cds-CdCd CsJ-CdCdCs 300-1500 3.27E+03 2.41 0 14.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -892 Cds-CdCs_Cds-CdCd CsJ-CbHH 300-1500 1.27E+04 2.41 0 7.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -893 Cds-CdCs_Cds-CdCd CsJ-CbCsH 300-1500 3.11E+03 2.41 0 6.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -894 Cds-CdCs_Cds-CdCd CsJ-CbCsCs 300-1500 4.98E+02 2.41 0 6.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -895 Cds-CdCs_Cds-CdCd CsJ-CtHH 300-1500 1.17E+04 2.41 0 7.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -896 Cds-CdCs_Cds-CdCd CsJ-CtCsH 300-1500 2.64E+03 2.41 0 6.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -897 Cds-CdCs_Cds-CdCd CsJ-CtCsCs 300-1500 6.73E+02 2.41 0 6.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -898 Cds-CdCs_Cds-CdCd CdsJ-H 300-1500 1.77E+04 2.41 0 -0.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -899 Cds-CdCs_Cds-CdCd CdsJ-Cs 300-1500 9.39E+03 2.41 0 -0.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -900 Cds-CdCs_Cds-CdCd CbJ 300-1500 2.80E+04 2.41 0 -2.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -901 Cds-CdCs_Cds-CbH CsJ-HHH 300-1500 2.44E+03 2.41 0 6.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -902 Cds-CdCs_Cds-CbH CsJ-CsHH 300-1500 2.48E+02 2.41 0 6.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -903 Cds-CdCs_Cds-CbH CsJ-CsCsH 300-1500 1.99E+02 2.41 0 5.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -904 Cds-CdCs_Cds-CbH CsJ-CsCsCs 300-1500 1.47E+02 2.41 0 3.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -905 Cds-CdCs_Cds-CbH CsJ-CdHH 300-1500 2.58E+03 2.41 0 13.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -906 Cds-CdCs_Cds-CbH CsJ-CdCsH 300-1500 4.49E+02 2.41 0 12.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -907 Cds-CdCs_Cds-CbH CsJ-CdCsCs 300-1500 5.81E+01 2.41 0 11.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -908 Cds-CdCs_Cds-CbH CsJ-CdCdH 300-1500 9.05E+02 2.41 0 17.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -909 Cds-CdCs_Cds-CbH CsJ-CdCdCs 300-1500 3.09E+02 2.41 0 17.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -910 Cds-CdCs_Cds-CbH CsJ-CbHH 300-1500 1.20E+03 2.41 0 10.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -911 Cds-CdCs_Cds-CbH CsJ-CbCsH 300-1500 2.94E+02 2.41 0 10.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -912 Cds-CdCs_Cds-CbH CsJ-CbCsCs 300-1500 4.70E+01 2.41 0 9.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -913 Cds-CdCs_Cds-CbH CsJ-CtHH 300-1500 1.10E+03 2.41 0 10.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -914 Cds-CdCs_Cds-CbH CsJ-CtCsH 300-1500 2.49E+02 2.41 0 10.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -915 Cds-CdCs_Cds-CbH CsJ-CtCsCs 300-1500 6.35E+01 2.41 0 9.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -916 Cds-CdCs_Cds-CbH CdsJ-H 300-1500 1.67E+03 2.41 0 2.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -917 Cds-CdCs_Cds-CbH CdsJ-Cs 300-1500 8.86E+02 2.41 0 2.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -918 Cds-CdCs_Cds-CbH CbJ 300-1500 2.64E+03 2.41 0 0.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -919 Cds-CdCs_Cds-CbCs CsJ-HHH 300-1500 5.18E+03 2.41 0 6.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -920 Cds-CdCs_Cds-CbCs CsJ-CsHH 300-1500 5.26E+02 2.41 0 6.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -921 Cds-CdCs_Cds-CbCs CsJ-CsCsH 300-1500 4.22E+02 2.41 0 4.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -922 Cds-CdCs_Cds-CbCs CsJ-CsCsCs 300-1500 3.13E+02 2.41 0 3.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -923 Cds-CdCs_Cds-CbCs CsJ-CdHH 300-1500 5.47E+03 2.41 0 12.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -924 Cds-CdCs_Cds-CbCs CsJ-CdCsH 300-1500 9.52E+02 2.41 0 12.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -925 Cds-CdCs_Cds-CbCs CsJ-CdCsCs 300-1500 1.23E+02 2.41 0 11.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -926 Cds-CdCs_Cds-CbCs CsJ-CdCdH 300-1500 1.92E+03 2.41 0 17.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -927 Cds-CdCs_Cds-CbCs CsJ-CdCdCs 300-1500 6.55E+02 2.41 0 17.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -928 Cds-CdCs_Cds-CbCs CsJ-CbHH 300-1500 2.53E+03 2.41 0 10.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -929 Cds-CdCs_Cds-CbCs CsJ-CbCsH 300-1500 6.23E+02 2.41 0 9.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -930 Cds-CdCs_Cds-CbCs CsJ-CbCsCs 300-1500 9.97E+01 2.41 0 9.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -931 Cds-CdCs_Cds-CbCs CsJ-CtHH 300-1500 2.34E+03 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -932 Cds-CdCs_Cds-CbCs CsJ-CtCsH 300-1500 5.28E+02 2.41 0 9.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -933 Cds-CdCs_Cds-CbCs CsJ-CtCsCs 300-1500 1.35E+02 2.41 0 9.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -934 Cds-CdCs_Cds-CbCs CdsJ-H 300-1500 3.54E+03 2.41 0 2.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -935 Cds-CdCs_Cds-CbCs CdsJ-Cs 300-1500 1.88E+03 2.41 0 2.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -936 Cds-CdCs_Cds-CbCs CbJ 300-1500 5.60E+03 2.41 0 0.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -937 Cds-CdCs_Cds-CtH CsJ-HHH 300-1500 9.70E+03 2.41 0 4.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -938 Cds-CdCs_Cds-CtH CsJ-CsHH 300-1500 9.85E+02 2.41 0 4.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -939 Cds-CdCs_Cds-CtH CsJ-CsCsH 300-1500 7.90E+02 2.41 0 3.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -940 Cds-CdCs_Cds-CtH CsJ-CsCsCs 300-1500 5.85E+02 2.41 0 1.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -941 Cds-CdCs_Cds-CtH CsJ-CdHH 300-1500 1.02E+04 2.41 0 11.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -942 Cds-CdCs_Cds-CtH CsJ-CdCsH 300-1500 1.78E+03 2.41 0 10.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -943 Cds-CdCs_Cds-CtH CsJ-CdCsCs 300-1500 2.31E+02 2.41 0 9.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -944 Cds-CdCs_Cds-CtH CsJ-CdCdH 300-1500 3.59E+03 2.41 0 15.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -945 Cds-CdCs_Cds-CtH CsJ-CdCdCs 300-1500 1.23E+03 2.41 0 15.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -946 Cds-CdCs_Cds-CtH CsJ-CbHH 300-1500 4.75E+03 2.41 0 8.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -947 Cds-CdCs_Cds-CtH CsJ-CbCsH 300-1500 1.17E+03 2.41 0 8.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -948 Cds-CdCs_Cds-CtH CsJ-CbCsCs 300-1500 1.87E+02 2.41 0 7.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -949 Cds-CdCs_Cds-CtH CsJ-CtHH 300-1500 4.39E+03 2.41 0 8.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -950 Cds-CdCs_Cds-CtH CsJ-CtCsH 300-1500 9.89E+02 2.41 0 8.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -951 Cds-CdCs_Cds-CtH CsJ-CtCsCs 300-1500 2.52E+02 2.41 0 7.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -952 Cds-CdCs_Cds-CtH CdsJ-H 300-1500 6.64E+03 2.41 0 1.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -953 Cds-CdCs_Cds-CtH CdsJ-Cs 300-1500 3.52E+03 2.41 0 0.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -954 Cds-CdCs_Cds-CtH CbJ 300-1500 1.05E+04 2.41 0 -1.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -955 Cds-CdCs_Cds-CtCs CsJ-HHH 300-1500 9.93E+03 2.41 0 4.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -956 Cds-CdCs_Cds-CtCs CsJ-CsHH 300-1500 1.01E+03 2.41 0 4.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -957 Cds-CdCs_Cds-CtCs CsJ-CsCsH 300-1500 8.09E+02 2.41 0 3.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -958 Cds-CdCs_Cds-CtCs CsJ-CsCsCs 300-1500 5.99E+02 2.41 0 1.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -959 Cds-CdCs_Cds-CtCs CsJ-CdHH 300-1500 1.05E+04 2.41 0 11.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -960 Cds-CdCs_Cds-CtCs CsJ-CdCsH 300-1500 1.82E+03 2.41 0 10.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -961 Cds-CdCs_Cds-CtCs CsJ-CdCsCs 300-1500 2.36E+02 2.41 0 9.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -962 Cds-CdCs_Cds-CtCs CsJ-CdCdH 300-1500 3.68E+03 2.41 0 15.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -963 Cds-CdCs_Cds-CtCs CsJ-CdCdCs 300-1500 1.26E+03 2.41 0 15.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -964 Cds-CdCs_Cds-CtCs CsJ-CbHH 300-1500 4.86E+03 2.41 0 8.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -965 Cds-CdCs_Cds-CtCs CsJ-CbCsH 300-1500 1.19E+03 2.41 0 8.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -966 Cds-CdCs_Cds-CtCs CsJ-CbCsCs 300-1500 1.91E+02 2.41 0 7.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -967 Cds-CdCs_Cds-CtCs CsJ-CtHH 300-1500 4.49E+03 2.41 0 8.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -968 Cds-CdCs_Cds-CtCs CsJ-CtCsH 300-1500 1.01E+03 2.41 0 8.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -969 Cds-CdCs_Cds-CtCs CsJ-CtCsCs 300-1500 2.58E+02 2.41 0 7.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -970 Cds-CdCs_Cds-CtCs CdsJ-H 300-1500 6.79E+03 2.41 0 0.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -971 Cds-CdCs_Cds-CtCs CdsJ-Cs 300-1500 3.60E+03 2.41 0 0.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -972 Cds-CdCs_Cds-CtCs CbJ 300-1500 1.07E+04 2.41 0 -1.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -973 Cds-CdCs_Ca CsJ-HHH 300-1500 7.16E+03 2.41 0 8.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -974 Cds-CdCs_Ca CsJ-CsHH 300-1500 7.28E+02 2.41 0 8.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -975 Cds-CdCs_Ca CsJ-CsCsH 300-1500 5.84E+02 2.41 0 6.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -976 Cds-CdCs_Ca CsJ-CsCsCs 300-1500 4.32E+02 2.41 0 5.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -977 Cds-CdCs_Ca CsJ-CdHH 300-1500 7.56E+03 2.41 0 14.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -978 Cds-CdCs_Ca CsJ-CdCsH 300-1500 1.32E+03 2.41 0 14.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -979 Cds-CdCs_Ca CsJ-CdCsCs 300-1500 1.70E+02 2.41 0 13.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -980 Cds-CdCs_Ca CsJ-CdCdH 300-1500 2.66E+03 2.41 0 19.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -981 Cds-CdCs_Ca CsJ-CdCdCs 300-1500 9.07E+02 2.41 0 19.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -982 Cds-CdCs_Ca CsJ-CbHH 300-1500 3.51E+03 2.41 0 12.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -983 Cds-CdCs_Ca CsJ-CbCsH 300-1500 8.62E+02 2.41 0 11.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -984 Cds-CdCs_Ca CsJ-CbCsCs 300-1500 1.38E+02 2.41 0 11.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -985 Cds-CdCs_Ca CsJ-CtHH 300-1500 3.24E+03 2.41 0 12.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -986 Cds-CdCs_Ca CsJ-CtCsH 300-1500 7.31E+02 2.41 0 11.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -987 Cds-CdCs_Ca CsJ-CtCsCs 300-1500 1.86E+02 2.41 0 11.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -988 Cds-CdCs_Ca CdsJ-H 300-1500 4.90E+03 2.41 0 4.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -989 Cds-CdCs_Ca CdsJ-Cs 300-1500 2.60E+03 2.41 0 4.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -990 Cds-CdCs_Ca CbJ 300-1500 7.74E+03 2.41 0 2.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -991 Cds-CdCd_Cds-HH CsJ-HHH 300-1500 1.40E+04 2.41 0 8.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -992 Cds-CdCd_Cds-HH CsJ-CsHH 300-1500 1.43E+03 2.41 0 7.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -993 Cds-CdCd_Cds-HH CsJ-CsCsH 300-1500 1.14E+03 2.41 0 6.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -994 Cds-CdCd_Cds-HH CsJ-CsCsCs 300-1500 8.47E+02 2.41 0 5.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -995 Cds-CdCd_Cds-HH CsJ-CdHH 300-1500 1.48E+04 2.41 0 14.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -996 Cds-CdCd_Cds-HH CsJ-CdCsH 300-1500 2.58E+03 2.41 0 14.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -997 Cds-CdCd_Cds-HH CsJ-CdCsCs 300-1500 3.34E+02 2.41 0 13.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -998 Cds-CdCd_Cds-HH CsJ-CdCdH 300-1500 5.20E+03 2.41 0 19.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -999 Cds-CdCd_Cds-HH CsJ-CdCdCs 300-1500 1.78E+03 2.41 0 18.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1000 Cds-CdCd_Cds-HH CsJ-CbHH 300-1500 6.87E+03 2.41 0 12.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1001 Cds-CdCd_Cds-HH CsJ-CbCsH 300-1500 1.69E+03 2.41 0 11.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1002 Cds-CdCd_Cds-HH CsJ-CbCsCs 300-1500 2.70E+02 2.41 0 10.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1003 Cds-CdCd_Cds-HH CsJ-CtHH 300-1500 6.35E+03 2.41 0 11.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1004 Cds-CdCd_Cds-HH CsJ-CtCsH 300-1500 1.43E+03 2.41 0 11.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1005 Cds-CdCd_Cds-HH CsJ-CtCsCs 300-1500 3.65E+02 2.41 0 10.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1006 Cds-CdCd_Cds-HH CdsJ-H 300-1500 9.61E+03 2.41 0 4.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1007 Cds-CdCd_Cds-HH CdsJ-Cs 300-1500 5.09E+03 2.41 0 4.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1008 Cds-CdCd_Cds-HH CbJ 300-1500 1.52E+04 2.41 0 1.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1009 Cds-CdCd_Cds-CsH CsJ-HHH 300-1500 1.41E+04 2.41 0 7.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1010 Cds-CdCd_Cds-CsH CsJ-CsHH 300-1500 1.43E+03 2.41 0 7.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1011 Cds-CdCd_Cds-CsH CsJ-CsCsH 300-1500 1.15E+03 2.41 0 6.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1012 Cds-CdCd_Cds-CsH CsJ-CsCsCs 300-1500 8.51E+02 2.41 0 4.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1013 Cds-CdCd_Cds-CsH CsJ-CdHH 300-1500 1.49E+04 2.41 0 14.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1014 Cds-CdCd_Cds-CsH CsJ-CdCsH 300-1500 2.59E+03 2.41 0 13.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1015 Cds-CdCd_Cds-CsH CsJ-CdCsCs 300-1500 3.35E+02 2.41 0 12.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1016 Cds-CdCd_Cds-CsH CsJ-CdCdH 300-1500 5.23E+03 2.41 0 18.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1017 Cds-CdCd_Cds-CsH CsJ-CdCdCs 300-1500 1.78E+03 2.41 0 18.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1018 Cds-CdCd_Cds-CsH CsJ-CbHH 300-1500 6.90E+03 2.41 0 11.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1019 Cds-CdCd_Cds-CsH CsJ-CbCsH 300-1500 1.70E+03 2.41 0 11.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1020 Cds-CdCd_Cds-CsH CsJ-CbCsCs 300-1500 2.71E+02 2.41 0 10.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1021 Cds-CdCd_Cds-CsH CsJ-CtHH 300-1500 6.38E+03 2.41 0 11.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1022 Cds-CdCd_Cds-CsH CsJ-CtCsH 300-1500 1.44E+03 2.41 0 11.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1023 Cds-CdCd_Cds-CsH CsJ-CtCsCs 300-1500 3.67E+02 2.41 0 10.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1024 Cds-CdCd_Cds-CsH CdsJ-H 300-1500 9.65E+03 2.41 0 4.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1025 Cds-CdCd_Cds-CsH CdsJ-Cs 300-1500 5.11E+03 2.41 0 3.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1026 Cds-CdCd_Cds-CsH CbJ 300-1500 1.52E+04 2.41 0 1.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1027 Cds-CdCd_Cds-CsCs CsJ-HHH 300-1500 1.77E+04 2.41 0 7.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1028 Cds-CdCd_Cds-CsCs CsJ-CsHH 300-1500 1.80E+03 2.41 0 6.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1029 Cds-CdCd_Cds-CsCs CsJ-CsCsH 300-1500 1.45E+03 2.41 0 5.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1030 Cds-CdCd_Cds-CsCs CsJ-CsCsCs 300-1500 1.07E+03 2.41 0 4.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1031 Cds-CdCd_Cds-CsCs CsJ-CdHH 300-1500 1.87E+04 2.41 0 13.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1032 Cds-CdCd_Cds-CsCs CsJ-CdCsH 300-1500 3.26E+03 2.41 0 13.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1033 Cds-CdCd_Cds-CsCs CsJ-CdCsCs 300-1500 4.22E+02 2.41 0 12.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1034 Cds-CdCd_Cds-CsCs CsJ-CdCdH 300-1500 6.57E+03 2.41 0 18.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1035 Cds-CdCd_Cds-CsCs CsJ-CdCdCs 300-1500 2.24E+03 2.41 0 18.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1036 Cds-CdCd_Cds-CsCs CsJ-CbHH 300-1500 8.68E+03 2.41 0 11.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1037 Cds-CdCd_Cds-CsCs CsJ-CbCsH 300-1500 2.13E+03 2.41 0 10.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1038 Cds-CdCd_Cds-CsCs CsJ-CbCsCs 300-1500 3.42E+02 2.41 0 10.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1039 Cds-CdCd_Cds-CsCs CsJ-CtHH 300-1500 8.02E+03 2.41 0 11.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1040 Cds-CdCd_Cds-CsCs CsJ-CtCsH 300-1500 1.81E+03 2.41 0 10.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1041 Cds-CdCd_Cds-CsCs CsJ-CtCsCs 300-1500 4.62E+02 2.41 0 10.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1042 Cds-CdCd_Cds-CsCs CdsJ-H 300-1500 1.21E+04 2.41 0 3.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1043 Cds-CdCd_Cds-CsCs CdsJ-Cs 300-1500 6.43E+03 2.41 0 3.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1044 Cds-CdCd_Cds-CsCs CbJ 300-1500 1.92E+04 2.41 0 1.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1045 Cds-CdCd_Cds-CdH CsJ-HHH 300-1500 1.58E+04 2.41 0 5.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1046 Cds-CdCd_Cds-CdH CsJ-CsHH 300-1500 1.61E+03 2.41 0 4.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1047 Cds-CdCd_Cds-CdH CsJ-CsCsH 300-1500 1.29E+03 2.41 0 3.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1048 Cds-CdCd_Cds-CdH CsJ-CsCsCs 300-1500 9.55E+02 2.41 0 1.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1049 Cds-CdCd_Cds-CdH CsJ-CdHH 300-1500 1.67E+04 2.41 0 11.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1050 Cds-CdCd_Cds-CdH CsJ-CdCsH 300-1500 2.91E+03 2.41 0 11.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1051 Cds-CdCd_Cds-CdH CsJ-CdCsCs 300-1500 3.76E+02 2.41 0 10.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1052 Cds-CdCd_Cds-CdH CsJ-CdCdH 300-1500 5.87E+03 2.41 0 15.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1053 Cds-CdCd_Cds-CdH CsJ-CdCdCs 300-1500 2.00E+03 2.41 0 15.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1054 Cds-CdCd_Cds-CdH CsJ-CbHH 300-1500 7.75E+03 2.41 0 9.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1055 Cds-CdCd_Cds-CdH CsJ-CbCsH 300-1500 1.91E+03 2.41 0 8.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1056 Cds-CdCd_Cds-CdH CsJ-CbCsCs 300-1500 3.05E+02 2.41 0 7.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1057 Cds-CdCd_Cds-CdH CsJ-CtHH 300-1500 7.16E+03 2.41 0 8.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1058 Cds-CdCd_Cds-CdH CsJ-CtCsH 300-1500 1.61E+03 2.41 0 8.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1059 Cds-CdCd_Cds-CdH CsJ-CtCsCs 300-1500 4.12E+02 2.41 0 7.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1060 Cds-CdCd_Cds-CdH CdsJ-H 300-1500 1.08E+04 2.41 0 1.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1061 Cds-CdCd_Cds-CdH CdsJ-Cs 300-1500 5.74E+03 2.41 0 1.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1062 Cds-CdCd_Cds-CdH CbJ 300-1500 1.71E+04 2.41 0 -1.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1063 Cds-CdCd_Cds-CdCs CsJ-HHH 300-1500 1.80E+04 2.41 0 4.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1064 Cds-CdCd_Cds-CdCs CsJ-CsHH 300-1500 1.82E+03 2.41 0 4.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1065 Cds-CdCd_Cds-CdCs CsJ-CsCsH 300-1500 1.46E+03 2.41 0 2.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1066 Cds-CdCd_Cds-CdCs CsJ-CsCsCs 300-1500 1.08E+03 2.41 0 1.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1067 Cds-CdCd_Cds-CdCs CsJ-CdHH 300-1500 1.90E+04 2.41 0 10.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1068 Cds-CdCd_Cds-CdCs CsJ-CdCsH 300-1500 3.30E+03 2.41 0 10.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1069 Cds-CdCd_Cds-CdCs CsJ-CdCsCs 300-1500 4.27E+02 2.41 0 9.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1070 Cds-CdCd_Cds-CdCs CsJ-CdCdH 300-1500 6.66E+03 2.41 0 15.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1071 Cds-CdCd_Cds-CdCs CsJ-CdCdCs 300-1500 2.27E+03 2.41 0 15.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1072 Cds-CdCd_Cds-CdCs CsJ-CbHH 300-1500 8.79E+03 2.41 0 8.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1073 Cds-CdCd_Cds-CdCs CsJ-CbCsH 300-1500 2.16E+03 2.41 0 7.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1074 Cds-CdCd_Cds-CdCs CsJ-CbCsCs 300-1500 3.46E+02 2.41 0 7.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1075 Cds-CdCd_Cds-CdCs CsJ-CtHH 300-1500 8.13E+03 2.41 0 8.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1076 Cds-CdCd_Cds-CdCs CsJ-CtCsH 300-1500 1.83E+03 2.41 0 7.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1077 Cds-CdCd_Cds-CdCs CsJ-CtCsCs 300-1500 4.67E+02 2.41 0 7.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1078 Cds-CdCd_Cds-CdCs CdsJ-H 300-1500 1.23E+04 2.41 0 0.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1079 Cds-CdCd_Cds-CdCs CdsJ-Cs 300-1500 6.52E+03 2.41 0 0.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1080 Cds-CdCd_Cds-CdCs CbJ 300-1500 1.94E+04 2.41 0 -1.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1081 Cds-CdCd_Cds-CdCd CsJ-HHH 300-1500 5.48E+04 2.41 0 3.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1082 Cds-CdCd_Cds-CdCd CsJ-CsHH 300-1500 5.56E+03 2.41 0 3.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1083 Cds-CdCd_Cds-CdCd CsJ-CsCsH 300-1500 4.46E+03 2.41 0 1.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1084 Cds-CdCd_Cds-CdCd CsJ-CsCsCs 300-1500 3.30E+03 2.41 0 0.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1085 Cds-CdCd_Cds-CdCd CsJ-CdHH 300-1500 5.78E+04 2.41 0 10.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1086 Cds-CdCd_Cds-CdCd CsJ-CdCsH 300-1500 1.01E+04 2.41 0 9.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1087 Cds-CdCd_Cds-CdCd CsJ-CdCsCs 300-1500 1.30E+03 2.41 0 8.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1088 Cds-CdCd_Cds-CdCd CsJ-CdCdH 300-1500 2.03E+04 2.41 0 14.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1089 Cds-CdCd_Cds-CdCd CsJ-CdCdCs 300-1500 6.93E+03 2.41 0 14.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1090 Cds-CdCd_Cds-CdCd CsJ-CbHH 300-1500 2.68E+04 2.41 0 7.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1091 Cds-CdCd_Cds-CdCd CsJ-CbCsH 300-1500 6.59E+03 2.41 0 7.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1092 Cds-CdCd_Cds-CdCd CsJ-CbCsCs 300-1500 1.05E+03 2.41 0 6.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1093 Cds-CdCd_Cds-CdCd CsJ-CtHH 300-1500 2.48E+04 2.41 0 7.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1094 Cds-CdCd_Cds-CdCd CsJ-CtCsH 300-1500 5.58E+03 2.41 0 7.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1095 Cds-CdCd_Cds-CdCd CsJ-CtCsCs 300-1500 1.42E+03 2.41 0 6.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1096 Cds-CdCd_Cds-CdCd CdsJ-H 300-1500 3.75E+04 2.41 0 -0.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1097 Cds-CdCd_Cds-CdCd CdsJ-Cs 300-1500 1.99E+04 2.41 0 -0.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1098 Cds-CdCd_Cds-CdCd CbJ 300-1500 5.92E+04 2.41 0 -2.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1099 Cds-CdCd_Cds-CbH CsJ-HHH 300-1500 5.17E+03 2.41 0 6.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1100 Cds-CdCd_Cds-CbH CsJ-CsHH 300-1500 5.25E+02 2.41 0 6.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1101 Cds-CdCd_Cds-CbH CsJ-CsCsH 300-1500 4.21E+02 2.41 0 5.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1102 Cds-CdCd_Cds-CbH CsJ-CsCsCs 300-1500 3.12E+02 2.41 0 3.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1103 Cds-CdCd_Cds-CbH CsJ-CdHH 300-1500 5.45E+03 2.41 0 13.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1104 Cds-CdCd_Cds-CbH CsJ-CdCsH 300-1500 9.50E+02 2.41 0 12.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1105 Cds-CdCd_Cds-CbH CsJ-CdCsCs 300-1500 1.23E+02 2.41 0 11.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1106 Cds-CdCd_Cds-CbH CsJ-CdCdH 300-1500 1.92E+03 2.41 0 17.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1107 Cds-CdCd_Cds-CbH CsJ-CdCdCs 300-1500 6.54E+02 2.41 0 17.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1108 Cds-CdCd_Cds-CbH CsJ-CbHH 300-1500 2.53E+03 2.41 0 10.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1109 Cds-CdCd_Cds-CbH CsJ-CbCsH 300-1500 6.22E+02 2.41 0 10.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1110 Cds-CdCd_Cds-CbH CsJ-CbCsCs 300-1500 9.95E+01 2.41 0 9.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1111 Cds-CdCd_Cds-CbH CsJ-CtHH 300-1500 2.34E+03 2.41 0 10.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1112 Cds-CdCd_Cds-CbH CsJ-CtCsH 300-1500 5.27E+02 2.41 0 10.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1113 Cds-CdCd_Cds-CbH CsJ-CtCsCs 300-1500 1.34E+02 2.41 0 9.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1114 Cds-CdCd_Cds-CbH CdsJ-H 300-1500 3.54E+03 2.41 0 3.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1115 Cds-CdCd_Cds-CbH CdsJ-Cs 300-1500 1.87E+03 2.41 0 2.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1116 Cds-CdCd_Cds-CbH CbJ 300-1500 5.59E+03 2.41 0 0.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1117 Cds-CdCd_Cds-CbCs CsJ-HHH 300-1500 1.10E+04 2.41 0 6.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1118 Cds-CdCd_Cds-CbCs CsJ-CsHH 300-1500 1.11E+03 2.41 0 6.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1119 Cds-CdCd_Cds-CbCs CsJ-CsCsH 300-1500 8.93E+02 2.41 0 4.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1120 Cds-CdCd_Cds-CbCs CsJ-CsCsCs 300-1500 6.61E+02 2.41 0 3.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1121 Cds-CdCd_Cds-CbCs CsJ-CdHH 300-1500 1.16E+04 2.41 0 12.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1122 Cds-CdCd_Cds-CbCs CsJ-CdCsH 300-1500 2.01E+03 2.41 0 12.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1123 Cds-CdCd_Cds-CbCs CsJ-CdCsCs 300-1500 2.61E+02 2.41 0 11.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1124 Cds-CdCd_Cds-CbCs CsJ-CdCdH 300-1500 4.06E+03 2.41 0 17.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1125 Cds-CdCd_Cds-CbCs CsJ-CdCdCs 300-1500 1.39E+03 2.41 0 17.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1126 Cds-CdCd_Cds-CbCs CsJ-CbHH 300-1500 5.36E+03 2.41 0 10.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1127 Cds-CdCd_Cds-CbCs CsJ-CbCsH 300-1500 1.32E+03 2.41 0 9.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1128 Cds-CdCd_Cds-CbCs CsJ-CbCsCs 300-1500 2.11E+02 2.41 0 9.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1129 Cds-CdCd_Cds-CbCs CsJ-CtHH 300-1500 4.96E+03 2.41 0 10.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1130 Cds-CdCd_Cds-CbCs CsJ-CtCsH 300-1500 1.12E+03 2.41 0 9.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1131 Cds-CdCd_Cds-CbCs CsJ-CtCsCs 300-1500 2.85E+02 2.41 0 9.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1132 Cds-CdCd_Cds-CbCs CdsJ-H 300-1500 7.50E+03 2.41 0 2.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1133 Cds-CdCd_Cds-CbCs CdsJ-Cs 300-1500 3.98E+03 2.41 0 2.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1134 Cds-CdCd_Cds-CbCs CbJ 300-1500 1.18E+04 2.41 0 0.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1135 Cds-CdCd_Cds-CtH CsJ-HHH 300-1500 2.05E+04 2.41 0 4.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1136 Cds-CdCd_Cds-CtH CsJ-CsHH 300-1500 2.08E+03 2.41 0 4.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1137 Cds-CdCd_Cds-CtH CsJ-CsCsH 300-1500 1.67E+03 2.41 0 3.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1138 Cds-CdCd_Cds-CtH CsJ-CsCsCs 300-1500 1.24E+03 2.41 0 1.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1139 Cds-CdCd_Cds-CtH CsJ-CdHH 300-1500 2.17E+04 2.41 0 11.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1140 Cds-CdCd_Cds-CtH CsJ-CdCsH 300-1500 3.77E+03 2.41 0 10.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1141 Cds-CdCd_Cds-CtH CsJ-CdCsCs 300-1500 4.88E+02 2.41 0 10.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1142 Cds-CdCd_Cds-CtH CsJ-CdCdH 300-1500 7.61E+03 2.41 0 15.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1143 Cds-CdCd_Cds-CtH CsJ-CdCdCs 300-1500 2.60E+03 2.41 0 15.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1144 Cds-CdCd_Cds-CtH CsJ-CbHH 300-1500 1.00E+04 2.41 0 8.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1145 Cds-CdCd_Cds-CtH CsJ-CbCsH 300-1500 2.47E+03 2.41 0 8.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1146 Cds-CdCd_Cds-CtH CsJ-CbCsCs 300-1500 3.95E+02 2.41 0 7.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1147 Cds-CdCd_Cds-CtH CsJ-CtHH 300-1500 9.28E+03 2.41 0 8.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1148 Cds-CdCd_Cds-CtH CsJ-CtCsH 300-1500 2.09E+03 2.41 0 8.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1149 Cds-CdCd_Cds-CtH CsJ-CtCsCs 300-1500 5.34E+02 2.41 0 7.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1150 Cds-CdCd_Cds-CtH CdsJ-H 300-1500 1.40E+04 2.41 0 1.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1151 Cds-CdCd_Cds-CtH CdsJ-Cs 300-1500 7.44E+03 2.41 0 0.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1152 Cds-CdCd_Cds-CtH CbJ 300-1500 2.22E+04 2.41 0 -1.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1153 Cds-CdCd_Cds-CtCs CsJ-HHH 300-1500 2.10E+04 2.41 0 4.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1154 Cds-CdCd_Cds-CtCs CsJ-CsHH 300-1500 2.13E+03 2.41 0 4.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1155 Cds-CdCd_Cds-CtCs CsJ-CsCsH 300-1500 1.71E+03 2.41 0 3.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1156 Cds-CdCd_Cds-CtCs CsJ-CsCsCs 300-1500 1.27E+03 2.41 0 1.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1157 Cds-CdCd_Cds-CtCs CsJ-CdHH 300-1500 2.22E+04 2.41 0 11.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1158 Cds-CdCd_Cds-CtCs CsJ-CdCsH 300-1500 3.86E+03 2.41 0 10.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1159 Cds-CdCd_Cds-CtCs CsJ-CdCsCs 300-1500 4.99E+02 2.41 0 9.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1160 Cds-CdCd_Cds-CtCs CsJ-CdCdH 300-1500 7.79E+03 2.41 0 15.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1161 Cds-CdCd_Cds-CtCs CsJ-CdCdCs 300-1500 2.66E+03 2.41 0 15.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1162 Cds-CdCd_Cds-CtCs CsJ-CbHH 300-1500 1.03E+04 2.41 0 8.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1163 Cds-CdCd_Cds-CtCs CsJ-CbCsH 300-1500 2.53E+03 2.41 0 8.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1164 Cds-CdCd_Cds-CtCs CsJ-CbCsCs 300-1500 4.05E+02 2.41 0 7.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1165 Cds-CdCd_Cds-CtCs CsJ-CtHH 300-1500 9.50E+03 2.41 0 8.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1166 Cds-CdCd_Cds-CtCs CsJ-CtCsH 300-1500 2.14E+03 2.41 0 8.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1167 Cds-CdCd_Cds-CtCs CsJ-CtCsCs 300-1500 5.47E+02 2.41 0 7.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1168 Cds-CdCd_Cds-CtCs CdsJ-H 300-1500 1.44E+04 2.41 0 1.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1169 Cds-CdCd_Cds-CtCs CdsJ-Cs 300-1500 7.62E+03 2.41 0 0.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1170 Cds-CdCd_Cds-CtCs CbJ 300-1500 2.27E+04 2.41 0 -1.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1171 Cds-CdCd_Ca CsJ-HHH 300-1500 1.52E+04 2.41 0 8.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1172 Cds-CdCd_Ca CsJ-CsHH 300-1500 1.54E+03 2.41 0 8.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1173 Cds-CdCd_Ca CsJ-CsCsH 300-1500 1.24E+03 2.41 0 6.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1174 Cds-CdCd_Ca CsJ-CsCsCs 300-1500 9.15E+02 2.41 0 5.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1175 Cds-CdCd_Ca CsJ-CdHH 300-1500 1.60E+04 2.41 0 15.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1176 Cds-CdCd_Ca CsJ-CdCsH 300-1500 2.79E+03 2.41 0 14.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1177 Cds-CdCd_Ca CsJ-CdCsCs 300-1500 3.60E+02 2.41 0 13.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1178 Cds-CdCd_Ca CsJ-CdCdH 300-1500 5.62E+03 2.41 0 19.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1179 Cds-CdCd_Ca CsJ-CdCdCs 300-1500 1.92E+03 2.41 0 19.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1180 Cds-CdCd_Ca CsJ-CbHH 300-1500 7.42E+03 2.41 0 12.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1181 Cds-CdCd_Ca CsJ-CbCsH 300-1500 1.82E+03 2.41 0 12.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1182 Cds-CdCd_Ca CsJ-CbCsCs 300-1500 2.92E+02 2.41 0 11.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1183 Cds-CdCd_Ca CsJ-CtHH 300-1500 6.86E+03 2.41 0 12.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1184 Cds-CdCd_Ca CsJ-CtCsH 300-1500 1.55E+03 2.41 0 12.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1185 Cds-CdCd_Ca CsJ-CtCsCs 300-1500 3.94E+02 2.41 0 11.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1186 Cds-CdCd_Ca CdsJ-H 300-1500 1.04E+04 2.41 0 4.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1187 Cds-CdCd_Ca CdsJ-Cs 300-1500 5.50E+03 2.41 0 4.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1188 Cds-CdCd_Ca CbJ 300-1500 1.64E+04 2.41 0 2.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1189 Cds-CbH_Cds-HH CsJ-HHH 300-1500 3.75E+03 2.41 0 8.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1190 Cds-CbH_Cds-HH CsJ-CsHH 300-1500 3.80E+02 2.41 0 7.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1191 Cds-CbH_Cds-HH CsJ-CsCsH 300-1500 3.05E+02 2.41 0 6.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1192 Cds-CbH_Cds-HH CsJ-CsCsCs 300-1500 2.26E+02 2.41 0 5.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1193 Cds-CbH_Cds-HH CsJ-CdHH 300-1500 3.95E+03 2.41 0 14.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1194 Cds-CbH_Cds-HH CsJ-CdCsH 300-1500 6.88E+02 2.41 0 14.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1195 Cds-CbH_Cds-HH CsJ-CdCsCs 300-1500 8.90E+01 2.41 0 13.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1196 Cds-CbH_Cds-HH CsJ-CdCdH 300-1500 1.39E+03 2.41 0 19.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1197 Cds-CbH_Cds-HH CsJ-CdCdCs 300-1500 4.74E+02 2.41 0 19.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1198 Cds-CbH_Cds-HH CsJ-CbHH 300-1500 1.83E+03 2.41 0 12.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1199 Cds-CbH_Cds-HH CsJ-CbCsH 300-1500 4.51E+02 2.41 0 11.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1200 Cds-CbH_Cds-HH CsJ-CbCsCs 300-1500 7.21E+01 2.41 0 11.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1201 Cds-CbH_Cds-HH CsJ-CtHH 300-1500 1.69E+03 2.41 0 12.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1202 Cds-CbH_Cds-HH CsJ-CtCsH 300-1500 3.82E+02 2.41 0 11.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1203 Cds-CbH_Cds-HH CsJ-CtCsCs 300-1500 9.75E+01 2.41 0 11.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1204 Cds-CbH_Cds-HH CdsJ-H 300-1500 2.56E+03 2.41 0 4.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1205 Cds-CbH_Cds-HH CdsJ-Cs 300-1500 1.36E+03 2.41 0 4.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1206 Cds-CbH_Cds-HH CbJ 300-1500 4.05E+03 2.41 0 2.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1207 Cds-CbH_Cds-CsH CsJ-HHH 300-1500 3.76E+03 2.41 0 8.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1208 Cds-CbH_Cds-CsH CsJ-CsHH 300-1500 3.82E+02 2.41 0 7.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1209 Cds-CbH_Cds-CsH CsJ-CsCsH 300-1500 3.06E+02 2.41 0 6.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1210 Cds-CbH_Cds-CsH CsJ-CsCsCs 300-1500 2.27E+02 2.41 0 5.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1211 Cds-CbH_Cds-CsH CsJ-CdHH 300-1500 3.97E+03 2.41 0 14.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1212 Cds-CbH_Cds-CsH CsJ-CdCsH 300-1500 6.91E+02 2.41 0 14.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1213 Cds-CbH_Cds-CsH CsJ-CdCsCs 300-1500 8.94E+01 2.41 0 13.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1214 Cds-CbH_Cds-CsH CsJ-CdCdH 300-1500 1.39E+03 2.41 0 19.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1215 Cds-CbH_Cds-CsH CsJ-CdCdCs 300-1500 4.76E+02 2.41 0 18.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1216 Cds-CbH_Cds-CsH CsJ-CbHH 300-1500 1.84E+03 2.41 0 12.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1217 Cds-CbH_Cds-CsH CsJ-CbCsH 300-1500 4.53E+02 2.41 0 11.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1218 Cds-CbH_Cds-CsH CsJ-CbCsCs 300-1500 7.24E+01 2.41 0 10.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1219 Cds-CbH_Cds-CsH CsJ-CtHH 300-1500 1.70E+03 2.41 0 11.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1220 Cds-CbH_Cds-CsH CsJ-CtCsH 300-1500 3.84E+02 2.41 0 11.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1221 Cds-CbH_Cds-CsH CsJ-CtCsCs 300-1500 9.79E+01 2.41 0 10.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1222 Cds-CbH_Cds-CsH CdsJ-H 300-1500 2.57E+03 2.41 0 4.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1223 Cds-CbH_Cds-CsH CdsJ-Cs 300-1500 1.36E+03 2.41 0 4.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1224 Cds-CbH_Cds-CsH CbJ 300-1500 4.06E+03 2.41 0 2.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1225 Cds-CbH_Cds-CsCs CsJ-HHH 300-1500 4.73E+03 2.41 0 7.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1226 Cds-CbH_Cds-CsCs CsJ-CsHH 300-1500 4.81E+02 2.41 0 7.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1227 Cds-CbH_Cds-CsCs CsJ-CsCsH 300-1500 3.86E+02 2.41 0 6.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1228 Cds-CbH_Cds-CsCs CsJ-CsCsCs 300-1500 2.86E+02 2.41 0 4.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1229 Cds-CbH_Cds-CsCs CsJ-CdHH 300-1500 4.99E+03 2.41 0 14.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1230 Cds-CbH_Cds-CsCs CsJ-CdCsH 300-1500 8.70E+02 2.41 0 13.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1231 Cds-CbH_Cds-CsCs CsJ-CdCsCs 300-1500 1.12E+02 2.41 0 12.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1232 Cds-CbH_Cds-CsCs CsJ-CdCdH 300-1500 1.75E+03 2.41 0 18.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1233 Cds-CbH_Cds-CsCs CsJ-CdCdCs 300-1500 5.99E+02 2.41 0 18.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1234 Cds-CbH_Cds-CsCs CsJ-CbHH 300-1500 2.32E+03 2.41 0 11.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1235 Cds-CbH_Cds-CsCs CsJ-CbCsH 300-1500 5.70E+02 2.41 0 11.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1236 Cds-CbH_Cds-CsCs CsJ-CbCsCs 300-1500 9.11E+01 2.41 0 10.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1237 Cds-CbH_Cds-CsCs CsJ-CtHH 300-1500 2.14E+03 2.41 0 11.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1238 Cds-CbH_Cds-CsCs CsJ-CtCsH 300-1500 4.83E+02 2.41 0 11.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1239 Cds-CbH_Cds-CsCs CsJ-CtCsCs 300-1500 1.23E+02 2.41 0 10.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1240 Cds-CbH_Cds-CsCs CdsJ-H 300-1500 3.24E+03 2.41 0 4.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1241 Cds-CbH_Cds-CsCs CdsJ-Cs 300-1500 1.72E+03 2.41 0 3.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1242 Cds-CbH_Cds-CsCs CbJ 300-1500 5.11E+03 2.41 0 1.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1243 Cds-CbH_Cds-CdH CsJ-HHH 300-1500 4.22E+03 2.41 0 5.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1244 Cds-CbH_Cds-CdH CsJ-CsHH 300-1500 4.29E+02 2.41 0 4.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1245 Cds-CbH_Cds-CdH CsJ-CsCsH 300-1500 3.44E+02 2.41 0 3.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1246 Cds-CbH_Cds-CdH CsJ-CsCsCs 300-1500 2.55E+02 2.41 0 2.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1247 Cds-CbH_Cds-CdH CsJ-CdHH 300-1500 4.46E+03 2.41 0 11.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1248 Cds-CbH_Cds-CdH CsJ-CdCsH 300-1500 7.76E+02 2.41 0 11.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1249 Cds-CbH_Cds-CdH CsJ-CdCsCs 300-1500 1.00E+02 2.41 0 10.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1250 Cds-CbH_Cds-CdH CsJ-CdCdH 300-1500 1.57E+03 2.41 0 16.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1251 Cds-CbH_Cds-CdH CsJ-CdCdCs 300-1500 5.34E+02 2.41 0 16.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1252 Cds-CbH_Cds-CdH CsJ-CbHH 300-1500 2.07E+03 2.41 0 9.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1253 Cds-CbH_Cds-CdH CsJ-CbCsH 300-1500 5.08E+02 2.41 0 8.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1254 Cds-CbH_Cds-CdH CsJ-CbCsCs 300-1500 8.13E+01 2.41 0 8.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1255 Cds-CbH_Cds-CdH CsJ-CtHH 300-1500 1.91E+03 2.41 0 9.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1256 Cds-CbH_Cds-CdH CsJ-CtCsH 300-1500 4.31E+02 2.41 0 8.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1257 Cds-CbH_Cds-CdH CsJ-CtCsCs 300-1500 1.10E+02 2.41 0 8.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1258 Cds-CbH_Cds-CdH CdsJ-H 300-1500 2.89E+03 2.41 0 1.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1259 Cds-CbH_Cds-CdH CdsJ-Cs 300-1500 1.53E+03 2.41 0 1.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1260 Cds-CbH_Cds-CdH CbJ 300-1500 4.56E+03 2.41 0 -0.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1261 Cds-CbH_Cds-CdCs CsJ-HHH 300-1500 4.79E+03 2.41 0 5.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1262 Cds-CbH_Cds-CdCs CsJ-CsHH 300-1500 4.87E+02 2.41 0 4.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1263 Cds-CbH_Cds-CdCs CsJ-CsCsH 300-1500 3.91E+02 2.41 0 3.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1264 Cds-CbH_Cds-CdCs CsJ-CsCsCs 300-1500 2.89E+02 2.41 0 1.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1265 Cds-CbH_Cds-CdCs CsJ-CdHH 300-1500 5.06E+03 2.41 0 11.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1266 Cds-CbH_Cds-CdCs CsJ-CdCsH 300-1500 8.81E+02 2.41 0 11.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1267 Cds-CbH_Cds-CdCs CsJ-CdCsCs 300-1500 1.14E+02 2.41 0 10.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1268 Cds-CbH_Cds-CdCs CsJ-CdCdH 300-1500 1.78E+03 2.41 0 15.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1269 Cds-CbH_Cds-CdCs CsJ-CdCdCs 300-1500 6.06E+02 2.41 0 15.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1270 Cds-CbH_Cds-CdCs CsJ-CbHH 300-1500 2.35E+03 2.41 0 8.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1271 Cds-CbH_Cds-CdCs CsJ-CbCsH 300-1500 5.77E+02 2.41 0 8.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1272 Cds-CbH_Cds-CdCs CsJ-CbCsCs 300-1500 9.23E+01 2.41 0 7.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1273 Cds-CbH_Cds-CdCs CsJ-CtHH 300-1500 2.17E+03 2.41 0 8.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1274 Cds-CbH_Cds-CdCs CsJ-CtCsH 300-1500 4.89E+02 2.41 0 8.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1275 Cds-CbH_Cds-CdCs CsJ-CtCsCs 300-1500 1.25E+02 2.41 0 7.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1276 Cds-CbH_Cds-CdCs CdsJ-H 300-1500 3.28E+03 2.41 0 1.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1277 Cds-CbH_Cds-CdCs CdsJ-Cs 300-1500 1.74E+03 2.41 0 0.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1278 Cds-CbH_Cds-CdCs CbJ 300-1500 5.18E+03 2.41 0 -1.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1279 Cds-CbH_Cds-CdCd CsJ-HHH 300-1500 1.46E+04 2.41 0 4.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1280 Cds-CbH_Cds-CdCd CsJ-CsHH 300-1500 1.48E+03 2.41 0 3.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1281 Cds-CbH_Cds-CdCd CsJ-CsCsH 300-1500 1.19E+03 2.41 0 2.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1282 Cds-CbH_Cds-CdCd CsJ-CsCsCs 300-1500 8.81E+02 2.41 0 0.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1283 Cds-CbH_Cds-CdCd CsJ-CdHH 300-1500 1.54E+04 2.41 0 10.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1284 Cds-CbH_Cds-CdCd CsJ-CdCsH 300-1500 2.68E+03 2.41 0 10.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1285 Cds-CbH_Cds-CdCd CsJ-CdCsCs 300-1500 3.47E+02 2.41 0 9.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1286 Cds-CbH_Cds-CdCd CsJ-CdCdH 300-1500 5.41E+03 2.41 0 14.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1287 Cds-CbH_Cds-CdCd CsJ-CdCdCs 300-1500 1.85E+03 2.41 0 14.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1288 Cds-CbH_Cds-CdCd CsJ-CbHH 300-1500 7.15E+03 2.41 0 8.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1289 Cds-CbH_Cds-CdCd CsJ-CbCsH 300-1500 1.76E+03 2.41 0 7.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1290 Cds-CbH_Cds-CdCd CsJ-CbCsCs 300-1500 2.81E+02 2.41 0 6.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1291 Cds-CbH_Cds-CdCd CsJ-CtHH 300-1500 6.61E+03 2.41 0 7.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1292 Cds-CbH_Cds-CdCd CsJ-CtCsH 300-1500 1.49E+03 2.41 0 7.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1293 Cds-CbH_Cds-CdCd CsJ-CtCsCs 300-1500 3.80E+02 2.41 0 6.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1294 Cds-CbH_Cds-CdCd CdsJ-H 300-1500 9.99E+03 2.41 0 0.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1295 Cds-CbH_Cds-CdCd CdsJ-Cs 300-1500 5.30E+03 2.41 0 0.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1296 Cds-CbH_Cds-CdCd CbJ 300-1500 1.58E+04 2.41 0 -2.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1297 Cds-CbH_Cds-CbH CsJ-HHH 300-1500 1.38E+03 2.41 0 7.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1298 Cds-CbH_Cds-CbH CsJ-CsHH 300-1500 1.40E+02 2.41 0 6.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1299 Cds-CbH_Cds-CbH CsJ-CsCsH 300-1500 1.12E+02 2.41 0 5.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1300 Cds-CbH_Cds-CbH CsJ-CsCsCs 300-1500 8.32E+01 2.41 0 4.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1301 Cds-CbH_Cds-CbH CsJ-CdHH 300-1500 1.45E+03 2.41 0 13.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1302 Cds-CbH_Cds-CbH CsJ-CdCsH 300-1500 2.53E+02 2.41 0 13.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1303 Cds-CbH_Cds-CbH CsJ-CdCsCs 300-1500 3.28E+01 2.41 0 12.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1304 Cds-CbH_Cds-CbH CsJ-CdCdH 300-1500 5.11E+02 2.41 0 18.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1305 Cds-CbH_Cds-CbH CsJ-CdCdCs 300-1500 1.74E+02 2.41 0 17.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1306 Cds-CbH_Cds-CbH CsJ-CbHH 300-1500 6.75E+02 2.41 0 11.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1307 Cds-CbH_Cds-CbH CsJ-CbCsH 300-1500 1.66E+02 2.41 0 10.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1308 Cds-CbH_Cds-CbH CsJ-CbCsCs 300-1500 2.65E+01 2.41 0 9.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1309 Cds-CbH_Cds-CbH CsJ-CtHH 300-1500 6.24E+02 2.41 0 10.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1310 Cds-CbH_Cds-CbH CsJ-CtCsH 300-1500 1.41E+02 2.41 0 10.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1311 Cds-CbH_Cds-CbH CsJ-CtCsCs 300-1500 3.59E+01 2.41 0 9.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1312 Cds-CbH_Cds-CbH CdsJ-H 300-1500 9.43E+02 2.41 0 3.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1313 Cds-CbH_Cds-CbH CdsJ-Cs 300-1500 5.00E+02 2.41 0 3.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1314 Cds-CbH_Cds-CbH CbJ 300-1500 1.49E+03 2.41 0 0.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1315 Cds-CbH_Cds-CbCs CsJ-HHH 300-1500 2.92E+03 2.41 0 7.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1316 Cds-CbH_Cds-CbCs CsJ-CsHH 300-1500 2.97E+02 2.41 0 6.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1317 Cds-CbH_Cds-CbCs CsJ-CsCsH 300-1500 2.38E+02 2.41 0 5.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1318 Cds-CbH_Cds-CbCs CsJ-CsCsCs 300-1500 1.76E+02 2.41 0 3.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1319 Cds-CbH_Cds-CbCs CsJ-CdHH 300-1500 3.09E+03 2.41 0 13.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1320 Cds-CbH_Cds-CbCs CsJ-CdCsH 300-1500 5.37E+02 2.41 0 13.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1321 Cds-CbH_Cds-CbCs CsJ-CdCsCs 300-1500 6.95E+01 2.41 0 12.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1322 Cds-CbH_Cds-CbCs CsJ-CdCdH 300-1500 1.08E+03 2.41 0 17.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1323 Cds-CbH_Cds-CbCs CsJ-CdCdCs 300-1500 3.70E+02 2.41 0 17.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1324 Cds-CbH_Cds-CbCs CsJ-CbHH 300-1500 1.43E+03 2.41 0 10.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1325 Cds-CbH_Cds-CbCs CsJ-CbCsH 300-1500 3.52E+02 2.41 0 10.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1326 Cds-CbH_Cds-CbCs CsJ-CbCsCs 300-1500 5.63E+01 2.41 0 9.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1327 Cds-CbH_Cds-CbCs CsJ-CtHH 300-1500 1.32E+03 2.41 0 10.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1328 Cds-CbH_Cds-CbCs CsJ-CtCsH 300-1500 2.98E+02 2.41 0 10.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1329 Cds-CbH_Cds-CbCs CsJ-CtCsCs 300-1500 7.61E+01 2.41 0 9.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1330 Cds-CbH_Cds-CbCs CdsJ-H 300-1500 2.00E+03 2.41 0 3.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1331 Cds-CbH_Cds-CbCs CdsJ-Cs 300-1500 1.06E+03 2.41 0 2.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1332 Cds-CbH_Cds-CbCs CbJ 300-1500 3.16E+03 2.41 0 0.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1333 Cds-CbH_Cds-CtH CsJ-HHH 300-1500 5.47E+03 2.41 0 5.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1334 Cds-CbH_Cds-CtH CsJ-CsHH 300-1500 5.56E+02 2.41 0 4.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1335 Cds-CbH_Cds-CtH CsJ-CsCsH 300-1500 4.46E+02 2.41 0 3.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1336 Cds-CbH_Cds-CtH CsJ-CsCsCs 300-1500 3.30E+02 2.41 0 2.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1337 Cds-CbH_Cds-CtH CsJ-CdHH 300-1500 5.78E+03 2.41 0 11.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1338 Cds-CbH_Cds-CtH CsJ-CdCsH 300-1500 1.01E+03 2.41 0 11.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1339 Cds-CbH_Cds-CtH CsJ-CdCsCs 300-1500 1.30E+02 2.41 0 10.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1340 Cds-CbH_Cds-CtH CsJ-CdCdH 300-1500 2.03E+03 2.41 0 16.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1341 Cds-CbH_Cds-CtH CsJ-CdCdCs 300-1500 6.93E+02 2.41 0 15.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1342 Cds-CbH_Cds-CtH CsJ-CbHH 300-1500 2.68E+03 2.41 0 9.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1343 Cds-CbH_Cds-CtH CsJ-CbCsH 300-1500 6.59E+02 2.41 0 8.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1344 Cds-CbH_Cds-CtH CsJ-CbCsCs 300-1500 1.05E+02 2.41 0 8.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1345 Cds-CbH_Cds-CtH CsJ-CtHH 300-1500 2.48E+03 2.41 0 9.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1346 Cds-CbH_Cds-CtH CsJ-CtCsH 300-1500 5.58E+02 2.41 0 8.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1347 Cds-CbH_Cds-CtH CsJ-CtCsCs 300-1500 1.42E+02 2.41 0 7.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1348 Cds-CbH_Cds-CtH CdsJ-H 300-1500 3.75E+03 2.41 0 1.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1349 Cds-CbH_Cds-CtH CdsJ-Cs 300-1500 1.99E+03 2.41 0 1.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1350 Cds-CbH_Cds-CtH CbJ 300-1500 5.92E+03 2.41 0 -0.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1351 Cds-CbH_Cds-CtCs CsJ-HHH 300-1500 5.60E+03 2.41 0 5.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1352 Cds-CbH_Cds-CtCs CsJ-CsHH 300-1500 5.69E+02 2.41 0 4.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1353 Cds-CbH_Cds-CtCs CsJ-CsCsH 300-1500 4.57E+02 2.41 0 3.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1354 Cds-CbH_Cds-CtCs CsJ-CsCsCs 300-1500 3.38E+02 2.41 0 2.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1355 Cds-CbH_Cds-CtCs CsJ-CdHH 300-1500 5.91E+03 2.41 0 11.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1356 Cds-CbH_Cds-CtCs CsJ-CdCsH 300-1500 1.03E+03 2.41 0 11.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1357 Cds-CbH_Cds-CtCs CsJ-CdCsCs 300-1500 1.33E+02 2.41 0 10.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1358 Cds-CbH_Cds-CtCs CsJ-CdCdH 300-1500 2.08E+03 2.41 0 16.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1359 Cds-CbH_Cds-CtCs CsJ-CdCdCs 300-1500 7.09E+02 2.41 0 15.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1360 Cds-CbH_Cds-CtCs CsJ-CbHH 300-1500 2.74E+03 2.41 0 9.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1361 Cds-CbH_Cds-CtCs CsJ-CbCsH 300-1500 6.74E+02 2.41 0 8.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1362 Cds-CbH_Cds-CtCs CsJ-CbCsCs 300-1500 1.08E+02 2.41 0 7.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1363 Cds-CbH_Cds-CtCs CsJ-CtHH 300-1500 2.53E+03 2.41 0 8.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1364 Cds-CbH_Cds-CtCs CsJ-CtCsH 300-1500 5.72E+02 2.41 0 8.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1365 Cds-CbH_Cds-CtCs CsJ-CtCsCs 300-1500 1.46E+02 2.41 0 7.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1366 Cds-CbH_Cds-CtCs CdsJ-H 300-1500 3.83E+03 2.41 0 1.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1367 Cds-CbH_Cds-CtCs CdsJ-Cs 300-1500 2.03E+03 2.41 0 1.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1368 Cds-CbH_Cds-CtCs CbJ 300-1500 6.06E+03 2.41 0 -1.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1369 Cds-CbH_Ca CsJ-HHH 300-1500 4.04E+03 2.41 0 9.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1370 Cds-CbH_Ca CsJ-CsHH 300-1500 4.11E+02 2.41 0 8.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1371 Cds-CbH_Ca CsJ-CsCsH 300-1500 3.30E+02 2.41 0 7.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1372 Cds-CbH_Ca CsJ-CsCsCs 300-1500 2.44E+02 2.41 0 5.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1373 Cds-CbH_Ca CsJ-CdHH 300-1500 4.27E+03 2.41 0 15.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1374 Cds-CbH_Ca CsJ-CdCsH 300-1500 7.43E+02 2.41 0 15.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1375 Cds-CbH_Ca CsJ-CdCsCs 300-1500 9.61E+01 2.41 0 14.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1376 Cds-CbH_Ca CsJ-CdCdH 300-1500 1.50E+03 2.41 0 19.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1377 Cds-CbH_Ca CsJ-CdCdCs 300-1500 5.12E+02 2.41 0 19.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1378 Cds-CbH_Ca CsJ-CbHH 300-1500 1.98E+03 2.41 0 13.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1379 Cds-CbH_Ca CsJ-CbCsH 300-1500 4.87E+02 2.41 0 12.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1380 Cds-CbH_Ca CsJ-CbCsCs 300-1500 7.79E+01 2.41 0 11.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1381 Cds-CbH_Ca CsJ-CtHH 300-1500 1.83E+03 2.41 0 12.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1382 Cds-CbH_Ca CsJ-CtCsH 300-1500 4.13E+02 2.41 0 12.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1383 Cds-CbH_Ca CsJ-CtCsCs 300-1500 1.05E+02 2.41 0 11.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1384 Cds-CbH_Ca CdsJ-H 300-1500 2.77E+03 2.41 0 5.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1385 Cds-CbH_Ca CdsJ-Cs 300-1500 1.47E+03 2.41 0 5.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1386 Cds-CbH_Ca CbJ 300-1500 4.37E+03 2.41 0 2.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1387 Cds-CbCs_Cds-HH CsJ-HHH 300-1500 3.34E+03 2.41 0 9.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1388 Cds-CbCs_Cds-HH CsJ-CsHH 300-1500 3.39E+02 2.41 0 9.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1389 Cds-CbCs_Cds-HH CsJ-CsCsH 300-1500 2.72E+02 2.41 0 7.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1390 Cds-CbCs_Cds-HH CsJ-CsCsCs 300-1500 2.01E+02 2.41 0 6.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1391 Cds-CbCs_Cds-HH CsJ-CdHH 300-1500 3.52E+03 2.41 0 16.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1392 Cds-CbCs_Cds-HH CsJ-CdCsH 300-1500 6.13E+02 2.41 0 15.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1393 Cds-CbCs_Cds-HH CsJ-CdCsCs 300-1500 7.93E+01 2.41 0 14.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1394 Cds-CbCs_Cds-HH CsJ-CdCdH 300-1500 1.24E+03 2.41 0 20.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1395 Cds-CbCs_Cds-HH CsJ-CdCdCs 300-1500 4.22E+02 2.41 0 20.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1396 Cds-CbCs_Cds-HH CsJ-CbHH 300-1500 1.63E+03 2.41 0 13.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1397 Cds-CbCs_Cds-HH CsJ-CbCsH 300-1500 4.02E+02 2.41 0 13.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1398 Cds-CbCs_Cds-HH CsJ-CbCsCs 300-1500 6.42E+01 2.41 0 12.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1399 Cds-CbCs_Cds-HH CsJ-CtHH 300-1500 1.51E+03 2.41 0 13.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1400 Cds-CbCs_Cds-HH CsJ-CtCsH 300-1500 3.40E+02 2.41 0 12.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1401 Cds-CbCs_Cds-HH CsJ-CtCsCs 300-1500 8.68E+01 2.41 0 12.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1402 Cds-CbCs_Cds-HH CdsJ-H 300-1500 2.28E+03 2.41 0 5.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1403 Cds-CbCs_Cds-HH CdsJ-Cs 300-1500 1.21E+03 2.41 0 5.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1404 Cds-CbCs_Cds-HH CbJ 300-1500 3.61E+03 2.41 0 3.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1405 Cds-CbCs_Cds-CsH CsJ-HHH 300-1500 3.35E+03 2.41 0 9.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1406 Cds-CbCs_Cds-CsH CsJ-CsHH 300-1500 3.40E+02 2.41 0 8.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1407 Cds-CbCs_Cds-CsH CsJ-CsCsH 300-1500 2.73E+02 2.41 0 7.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1408 Cds-CbCs_Cds-CsH CsJ-CsCsCs 300-1500 2.02E+02 2.41 0 6.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1409 Cds-CbCs_Cds-CsH CsJ-CdHH 300-1500 3.54E+03 2.41 0 15.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1410 Cds-CbCs_Cds-CsH CsJ-CdCsH 300-1500 6.16E+02 2.41 0 15.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1411 Cds-CbCs_Cds-CsH CsJ-CdCsCs 300-1500 7.96E+01 2.41 0 14.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1412 Cds-CbCs_Cds-CsH CsJ-CdCdH 300-1500 1.24E+03 2.41 0 20.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1413 Cds-CbCs_Cds-CsH CsJ-CdCdCs 300-1500 4.24E+02 2.41 0 20.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1414 Cds-CbCs_Cds-CsH CsJ-CbHH 300-1500 1.64E+03 2.41 0 13.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1415 Cds-CbCs_Cds-CsH CsJ-CbCsH 300-1500 4.03E+02 2.41 0 12.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1416 Cds-CbCs_Cds-CsH CsJ-CbCsCs 300-1500 6.45E+01 2.41 0 12.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1417 Cds-CbCs_Cds-CsH CsJ-CtHH 300-1500 1.52E+03 2.41 0 13.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1418 Cds-CbCs_Cds-CsH CsJ-CtCsH 300-1500 3.42E+02 2.41 0 12.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1419 Cds-CbCs_Cds-CsH CsJ-CtCsCs 300-1500 8.72E+01 2.41 0 11.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1420 Cds-CbCs_Cds-CsH CdsJ-H 300-1500 2.29E+03 2.41 0 5.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1421 Cds-CbCs_Cds-CsH CdsJ-Cs 300-1500 1.22E+03 2.41 0 5.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1422 Cds-CbCs_Cds-CsH CbJ 300-1500 3.62E+03 2.41 0 3.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1423 Cds-CbCs_Cds-CsCs CsJ-HHH 300-1500 4.21E+03 2.41 0 9.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1424 Cds-CbCs_Cds-CsCs CsJ-CsHH 300-1500 4.28E+02 2.41 0 8.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1425 Cds-CbCs_Cds-CsCs CsJ-CsCsH 300-1500 3.43E+02 2.41 0 7.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1426 Cds-CbCs_Cds-CsCs CsJ-CsCsCs 300-1500 2.54E+02 2.41 0 5.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1427 Cds-CbCs_Cds-CsCs CsJ-CdHH 300-1500 4.45E+03 2.41 0 15.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1428 Cds-CbCs_Cds-CsCs CsJ-CdCsH 300-1500 7.75E+02 2.41 0 15.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1429 Cds-CbCs_Cds-CsCs CsJ-CdCsCs 300-1500 1.00E+02 2.41 0 14.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1430 Cds-CbCs_Cds-CsCs CsJ-CdCdH 300-1500 1.56E+03 2.41 0 19.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1431 Cds-CbCs_Cds-CsCs CsJ-CdCdCs 300-1500 5.33E+02 2.41 0 19.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1432 Cds-CbCs_Cds-CsCs CsJ-CbHH 300-1500 2.06E+03 2.41 0 13.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1433 Cds-CbCs_Cds-CsCs CsJ-CbCsH 300-1500 5.07E+02 2.41 0 12.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1434 Cds-CbCs_Cds-CsCs CsJ-CbCsCs 300-1500 8.12E+01 2.41 0 11.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1435 Cds-CbCs_Cds-CsCs CsJ-CtHH 300-1500 1.91E+03 2.41 0 12.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1436 Cds-CbCs_Cds-CsCs CsJ-CtCsH 300-1500 4.30E+02 2.41 0 12.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1437 Cds-CbCs_Cds-CsCs CsJ-CtCsCs 300-1500 1.10E+02 2.41 0 11.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1438 Cds-CbCs_Cds-CsCs CdsJ-H 300-1500 2.88E+03 2.41 0 5.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1439 Cds-CbCs_Cds-CsCs CdsJ-Cs 300-1500 1.53E+03 2.41 0 5.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1440 Cds-CbCs_Cds-CsCs CbJ 300-1500 4.56E+03 2.41 0 2.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1441 Cds-CbCs_Cds-CdH CsJ-HHH 300-1500 3.76E+03 2.41 0 6.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1442 Cds-CbCs_Cds-CdH CsJ-CsHH 300-1500 3.82E+02 2.41 0 6.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1443 Cds-CbCs_Cds-CdH CsJ-CsCsH 300-1500 3.07E+02 2.41 0 4.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1444 Cds-CbCs_Cds-CdH CsJ-CsCsCs 300-1500 2.27E+02 2.41 0 3.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1445 Cds-CbCs_Cds-CdH CsJ-CdHH 300-1500 3.97E+03 2.41 0 12.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1446 Cds-CbCs_Cds-CdH CsJ-CdCsH 300-1500 6.91E+02 2.41 0 12.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1447 Cds-CbCs_Cds-CdH CsJ-CdCsCs 300-1500 8.94E+01 2.41 0 11.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1448 Cds-CbCs_Cds-CdH CsJ-CdCdH 300-1500 1.39E+03 2.41 0 17.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1449 Cds-CbCs_Cds-CdH CsJ-CdCdCs 300-1500 4.76E+02 2.41 0 17.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1450 Cds-CbCs_Cds-CdH CsJ-CbHH 300-1500 1.84E+03 2.41 0 10.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1451 Cds-CbCs_Cds-CdH CsJ-CbCsH 300-1500 4.53E+02 2.41 0 9.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1452 Cds-CbCs_Cds-CdH CsJ-CbCsCs 300-1500 7.24E+01 2.41 0 9.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1453 Cds-CbCs_Cds-CdH CsJ-CtHH 300-1500 1.70E+03 2.41 0 10.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1454 Cds-CbCs_Cds-CdH CsJ-CtCsH 300-1500 3.84E+02 2.41 0 9.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1455 Cds-CbCs_Cds-CdH CsJ-CtCsCs 300-1500 9.79E+01 2.41 0 9.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1456 Cds-CbCs_Cds-CdH CdsJ-H 300-1500 2.57E+03 2.41 0 2.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1457 Cds-CbCs_Cds-CdH CdsJ-Cs 300-1500 1.36E+03 2.41 0 2.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1458 Cds-CbCs_Cds-CdH CbJ 300-1500 4.07E+03 2.41 0 0.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1459 Cds-CbCs_Cds-CdCs CsJ-HHH 300-1500 4.27E+03 2.41 0 6.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1460 Cds-CbCs_Cds-CdCs CsJ-CsHH 300-1500 4.34E+02 2.41 0 5.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1461 Cds-CbCs_Cds-CdCs CsJ-CsCsH 300-1500 3.48E+02 2.41 0 4.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1462 Cds-CbCs_Cds-CdCs CsJ-CsCsCs 300-1500 2.58E+02 2.41 0 3.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1463 Cds-CbCs_Cds-CdCs CsJ-CdHH 300-1500 4.51E+03 2.41 0 12.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1464 Cds-CbCs_Cds-CdCs CsJ-CdCsH 300-1500 7.85E+02 2.41 0 12.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1465 Cds-CbCs_Cds-CdCs CsJ-CdCsCs 300-1500 1.01E+02 2.41 0 11.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1466 Cds-CbCs_Cds-CdCs CsJ-CdCdH 300-1500 1.58E+03 2.41 0 17.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1467 Cds-CbCs_Cds-CdCs CsJ-CdCdCs 300-1500 5.40E+02 2.41 0 16.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1468 Cds-CbCs_Cds-CdCs CsJ-CbHH 300-1500 2.09E+03 2.41 0 10.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1469 Cds-CbCs_Cds-CdCs CsJ-CbCsH 300-1500 5.14E+02 2.41 0 9.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1470 Cds-CbCs_Cds-CdCs CsJ-CbCsCs 300-1500 8.22E+01 2.41 0 8.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1471 Cds-CbCs_Cds-CdCs CsJ-CtHH 300-1500 1.93E+03 2.41 0 9.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1472 Cds-CbCs_Cds-CdCs CsJ-CtCsH 300-1500 4.35E+02 2.41 0 9.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1473 Cds-CbCs_Cds-CdCs CsJ-CtCsCs 300-1500 1.11E+02 2.41 0 8.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1474 Cds-CbCs_Cds-CdCs CdsJ-H 300-1500 2.92E+03 2.41 0 2.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1475 Cds-CbCs_Cds-CdCs CdsJ-Cs 300-1500 1.55E+03 2.41 0 2.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1476 Cds-CbCs_Cds-CdCs CbJ 300-1500 4.61E+03 2.41 0 0.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1477 Cds-CbCs_Cds-CdCd CsJ-HHH 300-1500 1.30E+04 2.41 0 5.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1478 Cds-CbCs_Cds-CdCd CsJ-CsHH 300-1500 1.32E+03 2.41 0 4.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1479 Cds-CbCs_Cds-CdCd CsJ-CsCsH 300-1500 1.06E+03 2.41 0 3.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1480 Cds-CbCs_Cds-CdCd CsJ-CsCsCs 300-1500 7.85E+02 2.41 0 2.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1481 Cds-CbCs_Cds-CdCd CsJ-CdHH 300-1500 1.37E+04 2.41 0 11.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1482 Cds-CbCs_Cds-CdCd CsJ-CdCsH 300-1500 2.39E+03 2.41 0 11.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1483 Cds-CbCs_Cds-CdCd CsJ-CdCsCs 300-1500 3.09E+02 2.41 0 10.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1484 Cds-CbCs_Cds-CdCd CsJ-CdCdH 300-1500 4.82E+03 2.41 0 16.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1485 Cds-CbCs_Cds-CdCd CsJ-CdCdCs 300-1500 1.65E+03 2.41 0 15.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1486 Cds-CbCs_Cds-CdCd CsJ-CbHH 300-1500 6.37E+03 2.41 0 9.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1487 Cds-CbCs_Cds-CdCd CsJ-CbCsH 300-1500 1.57E+03 2.41 0 8.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1488 Cds-CbCs_Cds-CdCd CsJ-CbCsCs 300-1500 2.51E+02 2.41 0 8.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1489 Cds-CbCs_Cds-CdCd CsJ-CtHH 300-1500 5.89E+03 2.41 0 9.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1490 Cds-CbCs_Cds-CdCd CsJ-CtCsH 300-1500 1.33E+03 2.41 0 8.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1491 Cds-CbCs_Cds-CdCd CsJ-CtCsCs 300-1500 3.39E+02 2.41 0 7.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1492 Cds-CbCs_Cds-CdCd CdsJ-H 300-1500 8.90E+03 2.41 0 1.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1493 Cds-CbCs_Cds-CdCd CdsJ-Cs 300-1500 4.72E+03 2.41 0 1.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1494 Cds-CbCs_Cds-CdCd CbJ 300-1500 1.41E+04 2.41 0 -0.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1495 Cds-CbCs_Cds-CbH CsJ-HHH 300-1500 1.23E+03 2.41 0 8.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1496 Cds-CbCs_Cds-CbH CsJ-CsHH 300-1500 1.25E+02 2.41 0 7.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1497 Cds-CbCs_Cds-CbH CsJ-CsCsH 300-1500 1.00E+02 2.41 0 6.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1498 Cds-CbCs_Cds-CbH CsJ-CsCsCs 300-1500 7.41E+01 2.41 0 5.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1499 Cds-CbCs_Cds-CbH CsJ-CdHH 300-1500 1.30E+03 2.41 0 14.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1500 Cds-CbCs_Cds-CbH CsJ-CdCsH 300-1500 2.26E+02 2.41 0 14.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1501 Cds-CbCs_Cds-CbH CsJ-CdCsCs 300-1500 2.92E+01 2.41 0 13.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1502 Cds-CbCs_Cds-CbH CsJ-CdCdH 300-1500 4.55E+02 2.41 0 19.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1503 Cds-CbCs_Cds-CbH CsJ-CdCdCs 300-1500 1.55E+02 2.41 0 19.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1504 Cds-CbCs_Cds-CbH CsJ-CbHH 300-1500 6.01E+02 2.41 0 12.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1505 Cds-CbCs_Cds-CbH CsJ-CbCsH 300-1500 1.48E+02 2.41 0 11.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1506 Cds-CbCs_Cds-CbH CsJ-CbCsCs 300-1500 2.36E+01 2.41 0 11.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1507 Cds-CbCs_Cds-CbH CsJ-CtHH 300-1500 5.55E+02 2.41 0 12.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1508 Cds-CbCs_Cds-CbH CsJ-CtCsH 300-1500 1.25E+02 2.41 0 11.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1509 Cds-CbCs_Cds-CbH CsJ-CtCsCs 300-1500 3.20E+01 2.41 0 10.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1510 Cds-CbCs_Cds-CbH CdsJ-H 300-1500 8.40E+02 2.41 0 4.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1511 Cds-CbCs_Cds-CbH CdsJ-Cs 300-1500 4.45E+02 2.41 0 4.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1512 Cds-CbCs_Cds-CbH CbJ 300-1500 1.33E+03 2.41 0 2.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1513 Cds-CbCs_Cds-CbCs CsJ-HHH 300-1500 2.60E+03 2.41 0 8.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1514 Cds-CbCs_Cds-CbCs CsJ-CsHH 300-1500 2.65E+02 2.41 0 7.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1515 Cds-CbCs_Cds-CbCs CsJ-CsCsH 300-1500 2.12E+02 2.41 0 6.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1516 Cds-CbCs_Cds-CbCs CsJ-CsCsCs 300-1500 1.57E+02 2.41 0 5.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1517 Cds-CbCs_Cds-CbCs CsJ-CdHH 300-1500 2.75E+03 2.41 0 14.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1518 Cds-CbCs_Cds-CbCs CsJ-CdCsH 300-1500 4.79E+02 2.41 0 14.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1519 Cds-CbCs_Cds-CbCs CsJ-CdCsCs 300-1500 6.19E+01 2.41 0 13.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1520 Cds-CbCs_Cds-CbCs CsJ-CdCdH 300-1500 9.65E+02 2.41 0 19.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1521 Cds-CbCs_Cds-CbCs CsJ-CdCdCs 300-1500 3.29E+02 2.41 0 18.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1522 Cds-CbCs_Cds-CbCs CsJ-CbHH 300-1500 1.27E+03 2.41 0 12.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1523 Cds-CbCs_Cds-CbCs CsJ-CbCsH 300-1500 3.13E+02 2.41 0 11.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1524 Cds-CbCs_Cds-CbCs CsJ-CbCsCs 300-1500 5.01E+01 2.41 0 10.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1525 Cds-CbCs_Cds-CbCs CsJ-CtHH 300-1500 1.18E+03 2.41 0 11.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1526 Cds-CbCs_Cds-CbCs CsJ-CtCsH 300-1500 2.66E+02 2.41 0 11.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1527 Cds-CbCs_Cds-CbCs CsJ-CtCsCs 300-1500 6.78E+01 2.41 0 10.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1528 Cds-CbCs_Cds-CbCs CdsJ-H 300-1500 1.78E+03 2.41 0 4.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1529 Cds-CbCs_Cds-CbCs CdsJ-Cs 300-1500 9.45E+02 2.41 0 4.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1530 Cds-CbCs_Cds-CbCs CbJ 300-1500 2.81E+03 2.41 0 2.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1531 Cds-CbCs_Cds-CtH CsJ-HHH 300-1500 4.88E+03 2.41 0 6.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1532 Cds-CbCs_Cds-CtH CsJ-CsHH 300-1500 4.95E+02 2.41 0 5.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1533 Cds-CbCs_Cds-CtH CsJ-CsCsH 300-1500 3.97E+02 2.41 0 4.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1534 Cds-CbCs_Cds-CtH CsJ-CsCsCs 300-1500 2.94E+02 2.41 0 3.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1535 Cds-CbCs_Cds-CtH CsJ-CdHH 300-1500 5.15E+03 2.41 0 12.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1536 Cds-CbCs_Cds-CtH CsJ-CdCsH 300-1500 8.96E+02 2.41 0 12.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1537 Cds-CbCs_Cds-CtH CsJ-CdCsCs 300-1500 1.16E+02 2.41 0 11.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1538 Cds-CbCs_Cds-CtH CsJ-CdCdH 300-1500 1.81E+03 2.41 0 17.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1539 Cds-CbCs_Cds-CtH CsJ-CdCdCs 300-1500 6.17E+02 2.41 0 17.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1540 Cds-CbCs_Cds-CtH CsJ-CbHH 300-1500 2.39E+03 2.41 0 10.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1541 Cds-CbCs_Cds-CtH CsJ-CbCsH 300-1500 5.87E+02 2.41 0 9.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1542 Cds-CbCs_Cds-CtH CsJ-CbCsCs 300-1500 9.39E+01 2.41 0 9.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1543 Cds-CbCs_Cds-CtH CsJ-CtHH 300-1500 2.21E+03 2.41 0 10.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1544 Cds-CbCs_Cds-CtH CsJ-CtCsH 300-1500 4.97E+02 2.41 0 9.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1545 Cds-CbCs_Cds-CtH CsJ-CtCsCs 300-1500 1.27E+02 2.41 0 9.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1546 Cds-CbCs_Cds-CtH CdsJ-H 300-1500 3.34E+03 2.41 0 2.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1547 Cds-CbCs_Cds-CtH CdsJ-Cs 300-1500 1.77E+03 2.41 0 2.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1548 Cds-CbCs_Cds-CtH CbJ 300-1500 5.27E+03 2.41 0 0.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1549 Cds-CbCs_Cds-CtCs CsJ-HHH 300-1500 4.99E+03 2.41 0 6.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1550 Cds-CbCs_Cds-CtCs CsJ-CsHH 300-1500 5.07E+02 2.41 0 5.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1551 Cds-CbCs_Cds-CtCs CsJ-CsCsH 300-1500 4.07E+02 2.41 0 4.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1552 Cds-CbCs_Cds-CtCs CsJ-CsCsCs 300-1500 3.01E+02 2.41 0 3.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1553 Cds-CbCs_Cds-CtCs CsJ-CdHH 300-1500 5.27E+03 2.41 0 12.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1554 Cds-CbCs_Cds-CtCs CsJ-CdCsH 300-1500 9.18E+02 2.41 0 12.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1555 Cds-CbCs_Cds-CtCs CsJ-CdCsCs 300-1500 1.19E+02 2.41 0 11.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1556 Cds-CbCs_Cds-CtCs CsJ-CdCdH 300-1500 1.85E+03 2.41 0 17.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1557 Cds-CbCs_Cds-CtCs CsJ-CdCdCs 300-1500 6.32E+02 2.41 0 17.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1558 Cds-CbCs_Cds-CtCs CsJ-CbHH 300-1500 2.44E+03 2.41 0 10.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1559 Cds-CbCs_Cds-CtCs CsJ-CbCsH 300-1500 6.01E+02 2.41 0 9.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1560 Cds-CbCs_Cds-CtCs CsJ-CbCsCs 300-1500 9.61E+01 2.41 0 9.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1561 Cds-CbCs_Cds-CtCs CsJ-CtHH 300-1500 2.26E+03 2.41 0 10.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1562 Cds-CbCs_Cds-CtCs CsJ-CtCsH 300-1500 5.09E+02 2.41 0 9.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1563 Cds-CbCs_Cds-CtCs CsJ-CtCsCs 300-1500 1.30E+02 2.41 0 8.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1564 Cds-CbCs_Cds-CtCs CdsJ-H 300-1500 3.42E+03 2.41 0 2.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1565 Cds-CbCs_Cds-CtCs CdsJ-Cs 300-1500 1.81E+03 2.41 0 2.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1566 Cds-CbCs_Cds-CtCs CbJ 300-1500 5.40E+03 2.41 0 0.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1567 Cds-CbCs_Ca CsJ-HHH 300-1500 3.60E+03 2.41 0 10.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1568 Cds-CbCs_Ca CsJ-CsHH 300-1500 3.66E+02 2.41 0 9.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1569 Cds-CbCs_Ca CsJ-CsCsH 300-1500 2.94E+02 2.41 0 8.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1570 Cds-CbCs_Ca CsJ-CsCsCs 300-1500 2.17E+02 2.41 0 7.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1571 Cds-CbCs_Ca CsJ-CdHH 300-1500 3.80E+03 2.41 0 16.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1572 Cds-CbCs_Ca CsJ-CdCsH 300-1500 6.62E+02 2.41 0 16.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1573 Cds-CbCs_Ca CsJ-CdCsCs 300-1500 8.56E+01 2.41 0 15.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1574 Cds-CbCs_Ca CsJ-CdCdH 300-1500 1.34E+03 2.41 0 21.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1575 Cds-CbCs_Ca CsJ-CdCdCs 300-1500 4.56E+02 2.41 0 20.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1576 Cds-CbCs_Ca CsJ-CbHH 300-1500 1.76E+03 2.41 0 14.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1577 Cds-CbCs_Ca CsJ-CbCsH 300-1500 4.34E+02 2.41 0 13.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1578 Cds-CbCs_Ca CsJ-CbCsCs 300-1500 6.94E+01 2.41 0 13.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1579 Cds-CbCs_Ca CsJ-CtHH 300-1500 1.63E+03 2.41 0 14.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1580 Cds-CbCs_Ca CsJ-CtCsH 300-1500 3.67E+02 2.41 0 13.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1581 Cds-CbCs_Ca CsJ-CtCsCs 300-1500 9.37E+01 2.41 0 12.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1582 Cds-CbCs_Ca CdsJ-H 300-1500 2.46E+03 2.41 0 6.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1583 Cds-CbCs_Ca CdsJ-Cs 300-1500 1.31E+03 2.41 0 6.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1584 Cds-CbCs_Ca CbJ 300-1500 3.89E+03 2.41 0 4.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1585 Cds-CtH_Cds-HH CsJ-HHH 300-1500 1.46E+04 2.41 0 6.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1586 Cds-CtH_Cds-HH CsJ-CsHH 300-1500 1.48E+03 2.41 0 5.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1587 Cds-CtH_Cds-HH CsJ-CsCsH 300-1500 1.19E+03 2.41 0 4.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1588 Cds-CtH_Cds-HH CsJ-CsCsCs 300-1500 8.80E+02 2.41 0 3.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1589 Cds-CtH_Cds-HH CsJ-CdHH 300-1500 1.54E+04 2.41 0 12.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1590 Cds-CtH_Cds-HH CsJ-CdCsH 300-1500 2.68E+03 2.41 0 12.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1591 Cds-CtH_Cds-HH CsJ-CdCsCs 300-1500 3.47E+02 2.41 0 11.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1592 Cds-CtH_Cds-HH CsJ-CdCdH 300-1500 5.41E+03 2.41 0 17.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1593 Cds-CtH_Cds-HH CsJ-CdCdCs 300-1500 1.85E+03 2.41 0 17.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1594 Cds-CtH_Cds-HH CsJ-CbHH 300-1500 7.14E+03 2.41 0 10.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1595 Cds-CtH_Cds-HH CsJ-CbCsH 300-1500 1.76E+03 2.41 0 9.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1596 Cds-CtH_Cds-HH CsJ-CbCsCs 300-1500 2.81E+02 2.41 0 9.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1597 Cds-CtH_Cds-HH CsJ-CtHH 300-1500 6.60E+03 2.41 0 10.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1598 Cds-CtH_Cds-HH CsJ-CtCsH 300-1500 1.49E+03 2.41 0 9.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1599 Cds-CtH_Cds-HH CsJ-CtCsCs 300-1500 3.80E+02 2.41 0 9.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1600 Cds-CtH_Cds-HH CdsJ-H 300-1500 9.98E+03 2.41 0 2.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1601 Cds-CtH_Cds-HH CdsJ-Cs 300-1500 5.29E+03 2.41 0 2.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1602 Cds-CtH_Cds-HH CbJ 300-1500 1.58E+04 2.41 0 0.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1603 Cds-CtH_Cds-CsH CsJ-HHH 300-1500 1.46E+04 2.41 0 6.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1604 Cds-CtH_Cds-CsH CsJ-CsHH 300-1500 1.49E+03 2.41 0 5.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1605 Cds-CtH_Cds-CsH CsJ-CsCsH 300-1500 1.19E+03 2.41 0 4.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1606 Cds-CtH_Cds-CsH CsJ-CsCsCs 300-1500 8.84E+02 2.41 0 3.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1607 Cds-CtH_Cds-CsH CsJ-CdHH 300-1500 1.55E+04 2.41 0 12.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1608 Cds-CtH_Cds-CsH CsJ-CdCsH 300-1500 2.69E+03 2.41 0 12.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1609 Cds-CtH_Cds-CsH CsJ-CdCsCs 300-1500 3.48E+02 2.41 0 11.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1610 Cds-CtH_Cds-CsH CsJ-CdCdH 300-1500 5.43E+03 2.41 0 17.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1611 Cds-CtH_Cds-CsH CsJ-CdCdCs 300-1500 1.85E+03 2.41 0 16.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1612 Cds-CtH_Cds-CsH CsJ-CbHH 300-1500 7.17E+03 2.41 0 10.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1613 Cds-CtH_Cds-CsH CsJ-CbCsH 300-1500 1.76E+03 2.41 0 9.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1614 Cds-CtH_Cds-CsH CsJ-CbCsCs 300-1500 2.82E+02 2.41 0 8.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1615 Cds-CtH_Cds-CsH CsJ-CtHH 300-1500 6.63E+03 2.41 0 9.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1616 Cds-CtH_Cds-CsH CsJ-CtCsH 300-1500 1.49E+03 2.41 0 9.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1617 Cds-CtH_Cds-CsH CsJ-CtCsCs 300-1500 3.81E+02 2.41 0 8.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1618 Cds-CtH_Cds-CsH CdsJ-H 300-1500 1.00E+04 2.41 0 2.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1619 Cds-CtH_Cds-CsH CdsJ-Cs 300-1500 5.31E+03 2.41 0 2.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1620 Cds-CtH_Cds-CsH CbJ 300-1500 1.58E+04 2.41 0 -0.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1621 Cds-CtH_Cds-CsCs CsJ-HHH 300-1500 1.84E+04 2.41 0 5.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1622 Cds-CtH_Cds-CsCs CsJ-CsHH 300-1500 1.87E+03 2.41 0 5.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1623 Cds-CtH_Cds-CsCs CsJ-CsCsH 300-1500 1.50E+03 2.41 0 4.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1624 Cds-CtH_Cds-CsCs CsJ-CsCsCs 300-1500 1.11E+03 2.41 0 2.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1625 Cds-CtH_Cds-CsCs CsJ-CdHH 300-1500 1.94E+04 2.41 0 12.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1626 Cds-CtH_Cds-CsCs CsJ-CdCsH 300-1500 3.39E+03 2.41 0 11.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1627 Cds-CtH_Cds-CsCs CsJ-CdCsCs 300-1500 4.38E+02 2.41 0 10.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1628 Cds-CtH_Cds-CsCs CsJ-CdCdH 300-1500 6.83E+03 2.41 0 16.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1629 Cds-CtH_Cds-CsCs CsJ-CdCdCs 300-1500 2.33E+03 2.41 0 16.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1630 Cds-CtH_Cds-CsCs CsJ-CbHH 300-1500 9.02E+03 2.41 0 9.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1631 Cds-CtH_Cds-CsCs CsJ-CbCsH 300-1500 2.22E+03 2.41 0 9.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1632 Cds-CtH_Cds-CsCs CsJ-CbCsCs 300-1500 3.55E+02 2.41 0 8.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1633 Cds-CtH_Cds-CsCs CsJ-CtHH 300-1500 8.34E+03 2.41 0 9.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1634 Cds-CtH_Cds-CsCs CsJ-CtCsH 300-1500 1.88E+03 2.41 0 9.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1635 Cds-CtH_Cds-CsCs CsJ-CtCsCs 300-1500 4.80E+02 2.41 0 8.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1636 Cds-CtH_Cds-CsCs CdsJ-H 300-1500 1.26E+04 2.41 0 1.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1637 Cds-CtH_Cds-CsCs CdsJ-Cs 300-1500 6.69E+03 2.41 0 1.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1638 Cds-CtH_Cds-CsCs CbJ 300-1500 1.99E+04 2.41 0 -0.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1639 Cds-CtH_Cds-CdH CsJ-HHH 300-1500 1.64E+04 2.41 0 3.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1640 Cds-CtH_Cds-CdH CsJ-CsHH 300-1500 1.67E+03 2.41 0 2.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1641 Cds-CtH_Cds-CdH CsJ-CsCsH 300-1500 1.34E+03 2.41 0 1.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1642 Cds-CtH_Cds-CdH CsJ-CsCsCs 300-1500 9.93E+02 2.41 0 0.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1643 Cds-CtH_Cds-CdH CsJ-CdHH 300-1500 1.74E+04 2.41 0 9.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1644 Cds-CtH_Cds-CdH CsJ-CdCsH 300-1500 3.02E+03 2.41 0 9.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1645 Cds-CtH_Cds-CdH CsJ-CdCsCs 300-1500 3.91E+02 2.41 0 8.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1646 Cds-CtH_Cds-CdH CsJ-CdCdH 300-1500 6.10E+03 2.41 0 14.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1647 Cds-CtH_Cds-CdH CsJ-CdCdCs 300-1500 2.08E+03 2.41 0 14.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1648 Cds-CtH_Cds-CdH CsJ-CbHH 300-1500 8.05E+03 2.41 0 7.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1649 Cds-CtH_Cds-CdH CsJ-CbCsH 300-1500 1.98E+03 2.41 0 6.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1650 Cds-CtH_Cds-CdH CsJ-CbCsCs 300-1500 3.17E+02 2.41 0 6.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1651 Cds-CtH_Cds-CdH CsJ-CtHH 300-1500 7.44E+03 2.41 0 7.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1652 Cds-CtH_Cds-CdH CsJ-CtCsH 300-1500 1.68E+03 2.41 0 6.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1653 Cds-CtH_Cds-CdH CsJ-CtCsCs 300-1500 4.28E+02 2.41 0 5.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1654 Cds-CtH_Cds-CdH CdsJ-H 300-1500 1.13E+04 2.41 0 -0.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1655 Cds-CtH_Cds-CdH CdsJ-Cs 300-1500 5.97E+03 2.41 0 -0.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1656 Cds-CtH_Cds-CdH CbJ 300-1500 1.78E+04 2.41 0 -2.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1657 Cds-CtH_Cds-CdCs CsJ-HHH 300-1500 1.87E+04 2.41 0 2.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1658 Cds-CtH_Cds-CdCs CsJ-CsHH 300-1500 1.90E+03 2.41 0 2.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1659 Cds-CtH_Cds-CdCs CsJ-CsCsH 300-1500 1.52E+03 2.41 0 1.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1660 Cds-CtH_Cds-CdCs CsJ-CsCsCs 300-1500 1.13E+03 2.41 0 -0.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1661 Cds-CtH_Cds-CdCs CsJ-CdHH 300-1500 1.97E+04 2.41 0 9.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1662 Cds-CtH_Cds-CdCs CsJ-CdCsH 300-1500 3.43E+03 2.41 0 9.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1663 Cds-CtH_Cds-CdCs CsJ-CdCsCs 300-1500 4.44E+02 2.41 0 8.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1664 Cds-CtH_Cds-CdCs CsJ-CdCdH 300-1500 6.92E+03 2.41 0 13.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1665 Cds-CtH_Cds-CdCs CsJ-CdCdCs 300-1500 2.36E+03 2.41 0 13.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1666 Cds-CtH_Cds-CdCs CsJ-CbHH 300-1500 9.14E+03 2.41 0 6.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1667 Cds-CtH_Cds-CdCs CsJ-CbCsH 300-1500 2.25E+03 2.41 0 6.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1668 Cds-CtH_Cds-CdCs CsJ-CbCsCs 300-1500 3.59E+02 2.41 0 5.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1669 Cds-CtH_Cds-CdCs CsJ-CtHH 300-1500 8.44E+03 2.41 0 6.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1670 Cds-CtH_Cds-CdCs CsJ-CtCsH 300-1500 1.90E+03 2.41 0 6.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1671 Cds-CtH_Cds-CdCs CsJ-CtCsCs 300-1500 4.86E+02 2.41 0 5.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1672 Cds-CtH_Cds-CdCs CdsJ-H 300-1500 1.28E+04 2.41 0 -0.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1673 Cds-CtH_Cds-CdCs CdsJ-Cs 300-1500 6.77E+03 2.41 0 -1.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1674 Cds-CtH_Cds-CdCs CbJ 300-1500 2.02E+04 2.41 0 -3.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1675 Cds-CtH_Cds-CdCd CsJ-HHH 300-1500 5.69E+04 2.41 0 2.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1676 Cds-CtH_Cds-CdCd CsJ-CsHH 300-1500 5.78E+03 2.41 0 1.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1677 Cds-CtH_Cds-CdCd CsJ-CsCsH 300-1500 4.63E+03 2.41 0 0.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1678 Cds-CtH_Cds-CdCd CsJ-CsCsCs 300-1500 3.43E+03 2.41 0 -1.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1679 Cds-CtH_Cds-CdCd CsJ-CdHH 300-1500 6.00E+04 2.41 0 8.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1680 Cds-CtH_Cds-CdCd CsJ-CdCsH 300-1500 1.05E+04 2.41 0 8.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1681 Cds-CtH_Cds-CdCd CsJ-CdCsCs 300-1500 1.35E+03 2.41 0 7.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1682 Cds-CtH_Cds-CdCd CsJ-CdCdH 300-1500 2.11E+04 2.41 0 12.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1683 Cds-CtH_Cds-CdCd CsJ-CdCdCs 300-1500 7.20E+03 2.41 0 12.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1684 Cds-CtH_Cds-CdCd CsJ-CbHH 300-1500 2.78E+04 2.41 0 6.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1685 Cds-CtH_Cds-CdCd CsJ-CbCsH 300-1500 6.85E+03 2.41 0 5.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1686 Cds-CtH_Cds-CdCd CsJ-CbCsCs 300-1500 1.10E+03 2.41 0 4.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1687 Cds-CtH_Cds-CdCd CsJ-CtHH 300-1500 2.57E+04 2.41 0 5.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1688 Cds-CtH_Cds-CdCd CsJ-CtCsH 300-1500 5.80E+03 2.41 0 5.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1689 Cds-CtH_Cds-CdCd CsJ-CtCsCs 300-1500 1.48E+03 2.41 0 4.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1690 Cds-CtH_Cds-CdCd CdsJ-H 300-1500 3.89E+04 2.41 0 -1.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1691 Cds-CtH_Cds-CdCd CdsJ-Cs 300-1500 2.06E+04 2.41 0 -1.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1692 Cds-CtH_Cds-CdCd CbJ 300-1500 6.15E+04 2.41 0 -4.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1693 Cds-CtH_Cds-CbH CsJ-HHH 300-1500 5.37E+03 2.41 0 5.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1694 Cds-CtH_Cds-CbH CsJ-CsHH 300-1500 5.45E+02 2.41 0 4.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1695 Cds-CtH_Cds-CbH CsJ-CsCsH 300-1500 4.37E+02 2.41 0 3.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1696 Cds-CtH_Cds-CbH CsJ-CsCsCs 300-1500 3.24E+02 2.41 0 1.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1697 Cds-CtH_Cds-CbH CsJ-CdHH 300-1500 5.67E+03 2.41 0 11.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1698 Cds-CtH_Cds-CbH CsJ-CdCsH 300-1500 9.87E+02 2.41 0 11.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1699 Cds-CtH_Cds-CbH CsJ-CdCsCs 300-1500 1.28E+02 2.41 0 10.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1700 Cds-CtH_Cds-CbH CsJ-CdCdH 300-1500 1.99E+03 2.41 0 15.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1701 Cds-CtH_Cds-CbH CsJ-CdCdCs 300-1500 6.79E+02 2.41 0 15.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1702 Cds-CtH_Cds-CbH CsJ-CbHH 300-1500 2.63E+03 2.41 0 9.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1703 Cds-CtH_Cds-CbH CsJ-CbCsH 300-1500 6.46E+02 2.41 0 8.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1704 Cds-CtH_Cds-CbH CsJ-CbCsCs 300-1500 1.03E+02 2.41 0 7.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1705 Cds-CtH_Cds-CbH CsJ-CtHH 300-1500 2.43E+03 2.41 0 8.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1706 Cds-CtH_Cds-CbH CsJ-CtCsH 300-1500 5.48E+02 2.41 0 8.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1707 Cds-CtH_Cds-CbH CsJ-CtCsCs 300-1500 1.40E+02 2.41 0 7.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1708 Cds-CtH_Cds-CbH CdsJ-H 300-1500 3.67E+03 2.41 0 1.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1709 Cds-CtH_Cds-CbH CdsJ-Cs 300-1500 1.95E+03 2.41 0 1.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1710 Cds-CtH_Cds-CbH CbJ 300-1500 5.80E+03 2.41 0 -1.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1711 Cds-CtH_Cds-CbCs CsJ-HHH 300-1500 1.14E+04 2.41 0 4.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1712 Cds-CtH_Cds-CbCs CsJ-CsHH 300-1500 1.16E+03 2.41 0 4.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1713 Cds-CtH_Cds-CbCs CsJ-CsCsH 300-1500 9.28E+02 2.41 0 3.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1714 Cds-CtH_Cds-CbCs CsJ-CsCsCs 300-1500 6.87E+02 2.41 0 1.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1715 Cds-CtH_Cds-CbCs CsJ-CdHH 300-1500 1.20E+04 2.41 0 11.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1716 Cds-CtH_Cds-CbCs CsJ-CdCsH 300-1500 2.09E+03 2.41 0 11.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1717 Cds-CtH_Cds-CbCs CsJ-CdCsCs 300-1500 2.71E+02 2.41 0 10.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1718 Cds-CtH_Cds-CbCs CsJ-CdCdH 300-1500 4.22E+03 2.41 0 15.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1719 Cds-CtH_Cds-CbCs CsJ-CdCdCs 300-1500 1.44E+03 2.41 0 15.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1720 Cds-CtH_Cds-CbCs CsJ-CbHH 300-1500 5.57E+03 2.41 0 8.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1721 Cds-CtH_Cds-CbCs CsJ-CbCsH 300-1500 1.37E+03 2.41 0 8.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1722 Cds-CtH_Cds-CbCs CsJ-CbCsCs 300-1500 2.19E+02 2.41 0 7.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1723 Cds-CtH_Cds-CbCs CsJ-CtHH 300-1500 5.15E+03 2.41 0 8.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1724 Cds-CtH_Cds-CbCs CsJ-CtCsH 300-1500 1.16E+03 2.41 0 8.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1725 Cds-CtH_Cds-CbCs CsJ-CtCsCs 300-1500 2.96E+02 2.41 0 7.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1726 Cds-CtH_Cds-CbCs CdsJ-H 300-1500 7.79E+03 2.41 0 1.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1727 Cds-CtH_Cds-CbCs CdsJ-Cs 300-1500 4.13E+03 2.41 0 0.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1728 Cds-CtH_Cds-CbCs CbJ 300-1500 1.23E+04 2.41 0 -1.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1729 Cds-CtH_Cds-CtH CsJ-HHH 300-1500 2.13E+04 2.41 0 3.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1730 Cds-CtH_Cds-CtH CsJ-CsHH 300-1500 2.17E+03 2.41 0 2.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1731 Cds-CtH_Cds-CtH CsJ-CsCsH 300-1500 1.74E+03 2.41 0 1.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1732 Cds-CtH_Cds-CtH CsJ-CsCsCs 300-1500 1.29E+03 2.41 0 0.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1733 Cds-CtH_Cds-CtH CsJ-CdHH 300-1500 2.25E+04 2.41 0 9.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1734 Cds-CtH_Cds-CtH CsJ-CdCsH 300-1500 3.92E+03 2.41 0 9.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1735 Cds-CtH_Cds-CtH CsJ-CdCsCs 300-1500 5.07E+02 2.41 0 8.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1736 Cds-CtH_Cds-CtH CsJ-CdCdH 300-1500 7.90E+03 2.41 0 14.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1737 Cds-CtH_Cds-CtH CsJ-CdCdCs 300-1500 2.70E+03 2.41 0 13.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1738 Cds-CtH_Cds-CtH CsJ-CbHH 300-1500 1.04E+04 2.41 0 7.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1739 Cds-CtH_Cds-CtH CsJ-CbCsH 300-1500 2.57E+03 2.41 0 6.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1740 Cds-CtH_Cds-CtH CsJ-CbCsCs 300-1500 4.11E+02 2.41 0 5.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1741 Cds-CtH_Cds-CtH CsJ-CtHH 300-1500 9.64E+03 2.41 0 6.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1742 Cds-CtH_Cds-CtH CsJ-CtCsH 300-1500 2.17E+03 2.41 0 6.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1743 Cds-CtH_Cds-CtH CsJ-CtCsCs 300-1500 5.55E+02 2.41 0 5.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1744 Cds-CtH_Cds-CtH CdsJ-H 300-1500 1.46E+04 2.41 0 -0.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1745 Cds-CtH_Cds-CtH CdsJ-Cs 300-1500 7.73E+03 2.41 0 -0.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1746 Cds-CtH_Cds-CtH CbJ 300-1500 2.30E+04 2.41 0 -2.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1747 Cds-CtH_Cds-CtCs CsJ-HHH 300-1500 2.18E+04 2.41 0 3.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1748 Cds-CtH_Cds-CtCs CsJ-CsHH 300-1500 2.22E+03 2.41 0 2.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1749 Cds-CtH_Cds-CtCs CsJ-CsCsH 300-1500 1.78E+03 2.41 0 1.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1750 Cds-CtH_Cds-CtCs CsJ-CsCsCs 300-1500 1.32E+03 2.41 0 -0.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1751 Cds-CtH_Cds-CtCs CsJ-CdHH 300-1500 2.30E+04 2.41 0 9.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1752 Cds-CtH_Cds-CtCs CsJ-CdCsH 300-1500 4.01E+03 2.41 0 9.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1753 Cds-CtH_Cds-CtCs CsJ-CdCsCs 300-1500 5.19E+02 2.41 0 8.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1754 Cds-CtH_Cds-CtCs CsJ-CdCdH 300-1500 8.09E+03 2.41 0 13.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1755 Cds-CtH_Cds-CtCs CsJ-CdCdCs 300-1500 2.76E+03 2.41 0 13.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1756 Cds-CtH_Cds-CtCs CsJ-CbHH 300-1500 1.07E+04 2.41 0 7.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1757 Cds-CtH_Cds-CtCs CsJ-CbCsH 300-1500 2.63E+03 2.41 0 6.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1758 Cds-CtH_Cds-CtCs CsJ-CbCsCs 300-1500 4.20E+02 2.41 0 5.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1759 Cds-CtH_Cds-CtCs CsJ-CtHH 300-1500 9.87E+03 2.41 0 6.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1760 Cds-CtH_Cds-CtCs CsJ-CtCsH 300-1500 2.23E+03 2.41 0 6.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1761 Cds-CtH_Cds-CtCs CsJ-CtCsCs 300-1500 5.68E+02 2.41 0 5.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1762 Cds-CtH_Cds-CtCs CdsJ-H 300-1500 1.49E+04 2.41 0 -0.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1763 Cds-CtH_Cds-CtCs CdsJ-Cs 300-1500 7.92E+03 2.41 0 -0.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1764 Cds-CtH_Cds-CtCs CbJ 300-1500 2.36E+04 2.41 0 -3.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1765 Cds-CtH_Ca CsJ-HHH 300-1500 1.58E+04 2.41 0 7.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1766 Cds-CtH_Ca CsJ-CsHH 300-1500 1.60E+03 2.41 0 6.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1767 Cds-CtH_Ca CsJ-CsCsH 300-1500 1.28E+03 2.41 0 5.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1768 Cds-CtH_Ca CsJ-CsCsCs 300-1500 9.51E+02 2.41 0 3.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1769 Cds-CtH_Ca CsJ-CdHH 300-1500 1.66E+04 2.41 0 13.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1770 Cds-CtH_Ca CsJ-CdCsH 300-1500 2.90E+03 2.41 0 13.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1771 Cds-CtH_Ca CsJ-CdCsCs 300-1500 3.74E+02 2.41 0 12.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1772 Cds-CtH_Ca CsJ-CdCdH 300-1500 5.84E+03 2.41 0 17.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1773 Cds-CtH_Ca CsJ-CdCdCs 300-1500 1.99E+03 2.41 0 17.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1774 Cds-CtH_Ca CsJ-CbHH 300-1500 7.71E+03 2.41 0 11.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1775 Cds-CtH_Ca CsJ-CbCsH 300-1500 1.90E+03 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1776 Cds-CtH_Ca CsJ-CbCsCs 300-1500 3.03E+02 2.41 0 9.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1777 Cds-CtH_Ca CsJ-CtHH 300-1500 7.12E+03 2.41 0 10.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1778 Cds-CtH_Ca CsJ-CtCsH 300-1500 1.61E+03 2.41 0 10.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1779 Cds-CtH_Ca CsJ-CtCsCs 300-1500 4.10E+02 2.41 0 9.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1780 Cds-CtH_Ca CdsJ-H 300-1500 1.08E+04 2.41 0 3.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1781 Cds-CtH_Ca CdsJ-Cs 300-1500 5.71E+03 2.41 0 3.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1782 Cds-CtH_Ca CbJ 300-1500 1.70E+04 2.41 0 0.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1783 Cds-CtCs_Cds-HH CsJ-HHH 300-1500 7.01E+03 2.41 0 7.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1784 Cds-CtCs_Cds-HH CsJ-CsHH 300-1500 7.12E+02 2.41 0 7.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1785 Cds-CtCs_Cds-HH CsJ-CsCsH 300-1500 5.71E+02 2.41 0 6.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1786 Cds-CtCs_Cds-HH CsJ-CsCsCs 300-1500 4.23E+02 2.41 0 4.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1787 Cds-CtCs_Cds-HH CsJ-CdHH 300-1500 7.39E+03 2.41 0 14.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1788 Cds-CtCs_Cds-HH CsJ-CdCsH 300-1500 1.29E+03 2.41 0 13.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1789 Cds-CtCs_Cds-HH CsJ-CdCsCs 300-1500 1.67E+02 2.41 0 12.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1790 Cds-CtCs_Cds-HH CsJ-CdCdH 300-1500 2.60E+03 2.41 0 18.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1791 Cds-CtCs_Cds-HH CsJ-CdCdCs 300-1500 8.87E+02 2.41 0 18.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1792 Cds-CtCs_Cds-HH CsJ-CbHH 300-1500 3.43E+03 2.41 0 11.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1793 Cds-CtCs_Cds-HH CsJ-CbCsH 300-1500 8.43E+02 2.41 0 11.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1794 Cds-CtCs_Cds-HH CsJ-CbCsCs 300-1500 1.35E+02 2.41 0 10.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1795 Cds-CtCs_Cds-HH CsJ-CtHH 300-1500 3.17E+03 2.41 0 11.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1796 Cds-CtCs_Cds-HH CsJ-CtCsH 300-1500 7.15E+02 2.41 0 11.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1797 Cds-CtCs_Cds-HH CsJ-CtCsCs 300-1500 1.82E+02 2.41 0 10.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1798 Cds-CtCs_Cds-HH CdsJ-H 300-1500 4.79E+03 2.41 0 4.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1799 Cds-CtCs_Cds-HH CdsJ-Cs 300-1500 2.54E+03 2.41 0 3.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1800 Cds-CtCs_Cds-HH CbJ 300-1500 7.57E+03 2.41 0 1.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1801 Cds-CtCs_Cds-CsH CsJ-HHH 300-1500 7.04E+03 2.41 0 7.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1802 Cds-CtCs_Cds-CsH CsJ-CsHH 300-1500 7.15E+02 2.41 0 7.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1803 Cds-CtCs_Cds-CsH CsJ-CsCsH 300-1500 5.73E+02 2.41 0 5.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1804 Cds-CtCs_Cds-CsH CsJ-CsCsCs 300-1500 4.25E+02 2.41 0 4.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1805 Cds-CtCs_Cds-CsH CsJ-CdHH 300-1500 7.43E+03 2.41 0 13.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1806 Cds-CtCs_Cds-CsH CsJ-CdCsH 300-1500 1.29E+03 2.41 0 13.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1807 Cds-CtCs_Cds-CsH CsJ-CdCsCs 300-1500 1.67E+02 2.41 0 12.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1808 Cds-CtCs_Cds-CsH CsJ-CdCdH 300-1500 2.61E+03 2.41 0 18.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1809 Cds-CtCs_Cds-CsH CsJ-CdCdCs 300-1500 8.90E+02 2.41 0 18.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1810 Cds-CtCs_Cds-CsH CsJ-CbHH 300-1500 3.44E+03 2.41 0 11.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1811 Cds-CtCs_Cds-CsH CsJ-CbCsH 300-1500 8.47E+02 2.41 0 10.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1812 Cds-CtCs_Cds-CsH CsJ-CbCsCs 300-1500 1.35E+02 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1813 Cds-CtCs_Cds-CsH CsJ-CtHH 300-1500 3.18E+03 2.41 0 11.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1814 Cds-CtCs_Cds-CsH CsJ-CtCsH 300-1500 7.18E+02 2.41 0 10.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1815 Cds-CtCs_Cds-CsH CsJ-CtCsCs 300-1500 1.83E+02 2.41 0 10.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1816 Cds-CtCs_Cds-CsH CdsJ-H 300-1500 4.81E+03 2.41 0 3.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1817 Cds-CtCs_Cds-CsH CdsJ-Cs 300-1500 2.55E+03 2.41 0 3.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1818 Cds-CtCs_Cds-CsH CbJ 300-1500 7.60E+03 2.41 0 1.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1819 Cds-CtCs_Cds-CsCs CsJ-HHH 300-1500 8.85E+03 2.41 0 7.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1820 Cds-CtCs_Cds-CsCs CsJ-CsHH 300-1500 8.99E+02 2.41 0 6.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1821 Cds-CtCs_Cds-CsCs CsJ-CsCsH 300-1500 7.21E+02 2.41 0 5.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1822 Cds-CtCs_Cds-CsCs CsJ-CsCsCs 300-1500 5.34E+02 2.41 0 4.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1823 Cds-CtCs_Cds-CsCs CsJ-CdHH 300-1500 9.34E+03 2.41 0 13.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1824 Cds-CtCs_Cds-CsCs CsJ-CdCsH 300-1500 1.63E+03 2.41 0 13.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1825 Cds-CtCs_Cds-CsCs CsJ-CdCsCs 300-1500 2.10E+02 2.41 0 12.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1826 Cds-CtCs_Cds-CsCs CsJ-CdCdH 300-1500 3.28E+03 2.41 0 18.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1827 Cds-CtCs_Cds-CsCs CsJ-CdCdCs 300-1500 1.12E+03 2.41 0 17.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1828 Cds-CtCs_Cds-CsCs CsJ-CbHH 300-1500 4.33E+03 2.41 0 11.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1829 Cds-CtCs_Cds-CsCs CsJ-CbCsH 300-1500 1.07E+03 2.41 0 10.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1830 Cds-CtCs_Cds-CsCs CsJ-CbCsCs 300-1500 1.70E+02 2.41 0 9.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1831 Cds-CtCs_Cds-CsCs CsJ-CtHH 300-1500 4.00E+03 2.41 0 10.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1832 Cds-CtCs_Cds-CsCs CsJ-CtCsH 300-1500 9.03E+02 2.41 0 10.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1833 Cds-CtCs_Cds-CsCs CsJ-CtCsCs 300-1500 2.30E+02 2.41 0 9.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1834 Cds-CtCs_Cds-CsCs CdsJ-H 300-1500 6.06E+03 2.41 0 3.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1835 Cds-CtCs_Cds-CsCs CdsJ-Cs 300-1500 3.21E+03 2.41 0 3.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1836 Cds-CtCs_Cds-CsCs CbJ 300-1500 9.57E+03 2.41 0 1.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1837 Cds-CtCs_Cds-CdH CsJ-HHH 300-1500 7.90E+03 2.41 0 4.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1838 Cds-CtCs_Cds-CdH CsJ-CsHH 300-1500 8.03E+02 2.41 0 4.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1839 Cds-CtCs_Cds-CdH CsJ-CsCsH 300-1500 6.44E+02 2.41 0 3.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1840 Cds-CtCs_Cds-CdH CsJ-CsCsCs 300-1500 4.77E+02 2.41 0 1.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1841 Cds-CtCs_Cds-CdH CsJ-CdHH 300-1500 8.34E+03 2.41 0 11.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1842 Cds-CtCs_Cds-CdH CsJ-CdCsH 300-1500 1.45E+03 2.41 0 10.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1843 Cds-CtCs_Cds-CdH CsJ-CdCsCs 300-1500 1.88E+02 2.41 0 9.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1844 Cds-CtCs_Cds-CdH CsJ-CdCdH 300-1500 2.93E+03 2.41 0 15.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1845 Cds-CtCs_Cds-CdH CsJ-CdCdCs 300-1500 1.00E+03 2.41 0 15.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1846 Cds-CtCs_Cds-CdH CsJ-CbHH 300-1500 3.87E+03 2.41 0 8.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1847 Cds-CtCs_Cds-CdH CsJ-CbCsH 300-1500 9.51E+02 2.41 0 8.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1848 Cds-CtCs_Cds-CdH CsJ-CbCsCs 300-1500 1.52E+02 2.41 0 7.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1849 Cds-CtCs_Cds-CdH CsJ-CtHH 300-1500 3.57E+03 2.41 0 8.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1850 Cds-CtCs_Cds-CdH CsJ-CtCsH 300-1500 8.06E+02 2.41 0 8.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1851 Cds-CtCs_Cds-CdH CsJ-CtCsCs 300-1500 2.06E+02 2.41 0 7.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1852 Cds-CtCs_Cds-CdH CdsJ-H 300-1500 5.41E+03 2.41 0 0.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1853 Cds-CtCs_Cds-CdH CdsJ-Cs 300-1500 2.87E+03 2.41 0 0.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1854 Cds-CtCs_Cds-CdH CbJ 300-1500 8.54E+03 2.41 0 -1.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1855 Cds-CtCs_Cds-CdCs CsJ-HHH 300-1500 8.97E+03 2.41 0 4.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1856 Cds-CtCs_Cds-CdCs CsJ-CsHH 300-1500 9.11E+02 2.41 0 3.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1857 Cds-CtCs_Cds-CdCs CsJ-CsCsH 300-1500 7.31E+02 2.41 0 2.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1858 Cds-CtCs_Cds-CdCs CsJ-CsCsCs 300-1500 5.41E+02 2.41 0 1.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1859 Cds-CtCs_Cds-CdCs CsJ-CdHH 300-1500 9.46E+03 2.41 0 10.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1860 Cds-CtCs_Cds-CdCs CsJ-CdCsH 300-1500 1.65E+03 2.41 0 10.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1861 Cds-CtCs_Cds-CdCs CsJ-CdCsCs 300-1500 2.13E+02 2.41 0 9.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1862 Cds-CtCs_Cds-CdCs CsJ-CdCdH 300-1500 3.32E+03 2.41 0 15.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1863 Cds-CtCs_Cds-CdCs CsJ-CdCdCs 300-1500 1.13E+03 2.41 0 15.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1864 Cds-CtCs_Cds-CdCs CsJ-CbHH 300-1500 4.39E+03 2.41 0 8.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1865 Cds-CtCs_Cds-CdCs CsJ-CbCsH 300-1500 1.08E+03 2.41 0 7.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1866 Cds-CtCs_Cds-CdCs CsJ-CbCsCs 300-1500 1.73E+02 2.41 0 7.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1867 Cds-CtCs_Cds-CdCs CsJ-CtHH 300-1500 4.06E+03 2.41 0 8.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1868 Cds-CtCs_Cds-CdCs CsJ-CtCsH 300-1500 9.15E+02 2.41 0 7.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1869 Cds-CtCs_Cds-CdCs CsJ-CtCsCs 300-1500 2.33E+02 2.41 0 6.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1870 Cds-CtCs_Cds-CdCs CdsJ-H 300-1500 6.13E+03 2.41 0 0.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1871 Cds-CtCs_Cds-CdCs CdsJ-Cs 300-1500 3.25E+03 2.41 0 0.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1872 Cds-CtCs_Cds-CdCs CbJ 300-1500 9.69E+03 2.41 0 -1.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1873 Cds-CtCs_Cds-CdCd CsJ-HHH 300-1500 2.73E+04 2.41 0 3.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1874 Cds-CtCs_Cds-CdCd CsJ-CsHH 300-1500 2.78E+03 2.41 0 2.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1875 Cds-CtCs_Cds-CdCd CsJ-CsCsH 300-1500 2.23E+03 2.41 0 1.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1876 Cds-CtCs_Cds-CdCd CsJ-CsCsCs 300-1500 1.65E+03 2.41 0 0.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1877 Cds-CtCs_Cds-CdCd CsJ-CdHH 300-1500 2.88E+04 2.41 0 9.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1878 Cds-CtCs_Cds-CdCd CsJ-CdCsH 300-1500 5.02E+03 2.41 0 9.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1879 Cds-CtCs_Cds-CdCd CsJ-CdCsCs 300-1500 6.50E+02 2.41 0 8.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1880 Cds-CtCs_Cds-CdCd CsJ-CdCdH 300-1500 1.01E+04 2.41 0 14.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1881 Cds-CtCs_Cds-CdCd CsJ-CdCdCs 300-1500 3.46E+03 2.41 0 14.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1882 Cds-CtCs_Cds-CdCd CsJ-CbHH 300-1500 1.34E+04 2.41 0 7.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1883 Cds-CtCs_Cds-CdCd CsJ-CbCsH 300-1500 3.29E+03 2.41 0 6.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1884 Cds-CtCs_Cds-CdCd CsJ-CbCsCs 300-1500 5.26E+02 2.41 0 6.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1885 Cds-CtCs_Cds-CdCd CsJ-CtHH 300-1500 1.24E+04 2.41 0 7.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1886 Cds-CtCs_Cds-CdCd CsJ-CtCsH 300-1500 2.79E+03 2.41 0 6.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1887 Cds-CtCs_Cds-CdCd CsJ-CtCsCs 300-1500 7.11E+02 2.41 0 6.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1888 Cds-CtCs_Cds-CdCd CdsJ-H 300-1500 1.87E+04 2.41 0 -0.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1889 Cds-CtCs_Cds-CdCd CdsJ-Cs 300-1500 9.91E+03 2.41 0 -0.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1890 Cds-CtCs_Cds-CdCd CbJ 300-1500 2.95E+04 2.41 0 -2.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1891 Cds-CtCs_Cds-CbH CsJ-HHH 300-1500 2.58E+03 2.41 0 6.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1892 Cds-CtCs_Cds-CbH CsJ-CsHH 300-1500 2.62E+02 2.41 0 5.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1893 Cds-CtCs_Cds-CbH CsJ-CsCsH 300-1500 2.10E+02 2.41 0 4.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1894 Cds-CtCs_Cds-CbH CsJ-CsCsCs 300-1500 1.56E+02 2.41 0 3.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1895 Cds-CtCs_Cds-CbH CsJ-CdHH 300-1500 2.72E+03 2.41 0 12.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1896 Cds-CtCs_Cds-CbH CsJ-CdCsH 300-1500 4.74E+02 2.41 0 12.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1897 Cds-CtCs_Cds-CbH CsJ-CdCsCs 300-1500 6.13E+01 2.41 0 11.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1898 Cds-CtCs_Cds-CbH CsJ-CdCdH 300-1500 9.56E+02 2.41 0 17.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1899 Cds-CtCs_Cds-CbH CsJ-CdCdCs 300-1500 3.26E+02 2.41 0 17.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1900 Cds-CtCs_Cds-CbH CsJ-CbHH 300-1500 1.26E+03 2.41 0 10.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1901 Cds-CtCs_Cds-CbH CsJ-CbCsH 300-1500 3.10E+02 2.41 0 9.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1902 Cds-CtCs_Cds-CbH CsJ-CbCsCs 300-1500 4.97E+01 2.41 0 9.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1903 Cds-CtCs_Cds-CbH CsJ-CtHH 300-1500 1.17E+03 2.41 0 10.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1904 Cds-CtCs_Cds-CbH CsJ-CtCsH 300-1500 2.63E+02 2.41 0 9.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1905 Cds-CtCs_Cds-CbH CsJ-CtCsCs 300-1500 6.71E+01 2.41 0 9.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1906 Cds-CtCs_Cds-CbH CdsJ-H 300-1500 1.76E+03 2.41 0 2.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1907 Cds-CtCs_Cds-CbH CdsJ-Cs 300-1500 9.36E+02 2.41 0 2.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1908 Cds-CtCs_Cds-CbH CbJ 300-1500 2.79E+03 2.41 0 0.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1909 Cds-CtCs_Cds-CbCs CsJ-HHH 300-1500 5.47E+03 2.41 0 6.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1910 Cds-CtCs_Cds-CbCs CsJ-CsHH 300-1500 5.56E+02 2.41 0 5.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1911 Cds-CtCs_Cds-CbCs CsJ-CsCsH 300-1500 4.46E+02 2.41 0 4.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1912 Cds-CtCs_Cds-CbCs CsJ-CsCsCs 300-1500 3.30E+02 2.41 0 3.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1913 Cds-CtCs_Cds-CbCs CsJ-CdHH 300-1500 5.77E+03 2.41 0 12.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1914 Cds-CtCs_Cds-CbCs CsJ-CdCsH 300-1500 1.01E+03 2.41 0 12.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1915 Cds-CtCs_Cds-CbCs CsJ-CdCsCs 300-1500 1.30E+02 2.41 0 11.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1916 Cds-CtCs_Cds-CbCs CsJ-CdCdH 300-1500 2.03E+03 2.41 0 17.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1917 Cds-CtCs_Cds-CbCs CsJ-CdCdCs 300-1500 6.92E+02 2.41 0 17.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1918 Cds-CtCs_Cds-CbCs CsJ-CbHH 300-1500 2.68E+03 2.41 0 10.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1919 Cds-CtCs_Cds-CbCs CsJ-CbCsH 300-1500 6.58E+02 2.41 0 9.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1920 Cds-CtCs_Cds-CbCs CsJ-CbCsCs 300-1500 1.05E+02 2.41 0 9.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1921 Cds-CtCs_Cds-CbCs CsJ-CtHH 300-1500 2.47E+03 2.41 0 10.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1922 Cds-CtCs_Cds-CbCs CsJ-CtCsH 300-1500 5.58E+02 2.41 0 9.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1923 Cds-CtCs_Cds-CbCs CsJ-CtCsCs 300-1500 1.42E+02 2.41 0 8.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1924 Cds-CtCs_Cds-CbCs CdsJ-H 300-1500 3.74E+03 2.41 0 2.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1925 Cds-CtCs_Cds-CbCs CdsJ-Cs 300-1500 1.98E+03 2.41 0 2.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1926 Cds-CtCs_Cds-CbCs CbJ 300-1500 5.91E+03 2.41 0 0.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1927 Cds-CtCs_Cds-CtH CsJ-HHH 300-1500 1.02E+04 2.41 0 4.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1928 Cds-CtCs_Cds-CtH CsJ-CsHH 300-1500 1.04E+03 2.41 0 4.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1929 Cds-CtCs_Cds-CtH CsJ-CsCsH 300-1500 8.34E+02 2.41 0 2.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1930 Cds-CtCs_Cds-CtH CsJ-CsCsCs 300-1500 6.18E+02 2.41 0 1.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1931 Cds-CtCs_Cds-CtH CsJ-CdHH 300-1500 1.08E+04 2.41 0 10.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1932 Cds-CtCs_Cds-CtH CsJ-CdCsH 300-1500 1.88E+03 2.41 0 10.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1933 Cds-CtCs_Cds-CtH CsJ-CdCsCs 300-1500 2.43E+02 2.41 0 9.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1934 Cds-CtCs_Cds-CtH CsJ-CdCdH 300-1500 3.80E+03 2.41 0 15.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1935 Cds-CtCs_Cds-CtH CsJ-CdCdCs 300-1500 1.30E+03 2.41 0 15.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1936 Cds-CtCs_Cds-CtH CsJ-CbHH 300-1500 5.01E+03 2.41 0 8.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1937 Cds-CtCs_Cds-CtH CsJ-CbCsH 300-1500 1.23E+03 2.41 0 7.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1938 Cds-CtCs_Cds-CtH CsJ-CbCsCs 300-1500 1.97E+02 2.41 0 7.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1939 Cds-CtCs_Cds-CtH CsJ-CtHH 300-1500 4.63E+03 2.41 0 8.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1940 Cds-CtCs_Cds-CtH CsJ-CtCsH 300-1500 1.04E+03 2.41 0 7.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1941 Cds-CtCs_Cds-CtH CsJ-CtCsCs 300-1500 2.66E+02 2.41 0 7.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1942 Cds-CtCs_Cds-CtH CdsJ-H 300-1500 7.01E+03 2.41 0 0.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1943 Cds-CtCs_Cds-CtH CdsJ-Cs 300-1500 3.72E+03 2.41 0 0.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1944 Cds-CtCs_Cds-CtH CbJ 300-1500 1.11E+04 2.41 0 -1.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1945 Cds-CtCs_Cds-CtCs CsJ-HHH 300-1500 1.05E+04 2.41 0 4.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1946 Cds-CtCs_Cds-CtCs CsJ-CsHH 300-1500 1.06E+03 2.41 0 3.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1947 Cds-CtCs_Cds-CtCs CsJ-CsCsH 300-1500 8.54E+02 2.41 0 2.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1948 Cds-CtCs_Cds-CtCs CsJ-CsCsCs 300-1500 6.33E+02 2.41 0 1.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1949 Cds-CtCs_Cds-CtCs CsJ-CdHH 300-1500 1.11E+04 2.41 0 10.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1950 Cds-CtCs_Cds-CtCs CsJ-CdCsH 300-1500 1.93E+03 2.41 0 10.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1951 Cds-CtCs_Cds-CtCs CsJ-CdCsCs 300-1500 2.49E+02 2.41 0 9.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1952 Cds-CtCs_Cds-CtCs CsJ-CdCdH 300-1500 3.89E+03 2.41 0 15.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1953 Cds-CtCs_Cds-CtCs CsJ-CdCdCs 300-1500 1.33E+03 2.41 0 15.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1954 Cds-CtCs_Cds-CtCs CsJ-CbHH 300-1500 5.13E+03 2.41 0 8.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1955 Cds-CtCs_Cds-CtCs CsJ-CbCsH 300-1500 1.26E+03 2.41 0 7.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1956 Cds-CtCs_Cds-CtCs CsJ-CbCsCs 300-1500 2.02E+02 2.41 0 7.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1957 Cds-CtCs_Cds-CtCs CsJ-CtHH 300-1500 4.74E+03 2.41 0 8.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1958 Cds-CtCs_Cds-CtCs CsJ-CtCsH 300-1500 1.07E+03 2.41 0 7.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1959 Cds-CtCs_Cds-CtCs CsJ-CtCsCs 300-1500 2.73E+02 2.41 0 7.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1960 Cds-CtCs_Cds-CtCs CdsJ-H 300-1500 7.17E+03 2.41 0 0.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1961 Cds-CtCs_Cds-CtCs CdsJ-Cs 300-1500 3.80E+03 2.41 0 0.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1962 Cds-CtCs_Cds-CtCs CbJ 300-1500 1.13E+04 2.41 0 -1.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1963 Cds-CtCs_Ca CsJ-HHH 300-1500 7.57E+03 2.41 0 8.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1964 Cds-CtCs_Ca CsJ-CsHH 300-1500 7.69E+02 2.41 0 7.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1965 Cds-CtCs_Ca CsJ-CsCsH 300-1500 6.16E+02 2.41 0 6.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1966 Cds-CtCs_Ca CsJ-CsCsCs 300-1500 4.57E+02 2.41 0 5.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1967 Cds-CtCs_Ca CsJ-CdHH 300-1500 7.98E+03 2.41 0 14.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1968 Cds-CtCs_Ca CsJ-CdCsH 300-1500 1.39E+03 2.41 0 14.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1969 Cds-CtCs_Ca CsJ-CdCsCs 300-1500 1.80E+02 2.41 0 13.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1970 Cds-CtCs_Ca CsJ-CdCdH 300-1500 2.80E+03 2.41 0 19.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1971 Cds-CtCs_Ca CsJ-CdCdCs 300-1500 9.57E+02 2.41 0 19.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1972 Cds-CtCs_Ca CsJ-CbHH 300-1500 3.70E+03 2.41 0 12.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1973 Cds-CtCs_Ca CsJ-CbCsH 300-1500 9.11E+02 2.41 0 11.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1974 Cds-CtCs_Ca CsJ-CbCsCs 300-1500 1.46E+02 2.41 0 11.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1975 Cds-CtCs_Ca CsJ-CtHH 300-1500 3.42E+03 2.41 0 12.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1976 Cds-CtCs_Ca CsJ-CtCsH 300-1500 7.72E+02 2.41 0 11.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1977 Cds-CtCs_Ca CsJ-CtCsCs 300-1500 1.97E+02 2.41 0 11.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1978 Cds-CtCs_Ca CdsJ-H 300-1500 5.18E+03 2.41 0 4.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1979 Cds-CtCs_Ca CdsJ-Cs 300-1500 2.74E+03 2.41 0 4.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1980 Cds-CtCs_Ca CbJ 300-1500 8.18E+03 2.41 0 2.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -1981 Ca_Cds-HH CsJ-HHH 300-1500 3.90E+04 2.41 0 7.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1982 Ca_Cds-HH CsJ-CsHH 300-1500 3.96E+03 2.41 0 7.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1983 Ca_Cds-HH CsJ-CsCsH 300-1500 3.18E+03 2.41 0 6.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1984 Ca_Cds-HH CsJ-CsCsCs 300-1500 2.35E+03 2.41 0 4.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1985 Ca_Cds-HH CsJ-CdHH 300-1500 4.12E+04 2.41 0 14.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1986 Ca_Cds-HH CsJ-CdCsH 300-1500 7.17E+03 2.41 0 13.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1987 Ca_Cds-HH CsJ-CdCsCs 300-1500 9.27E+02 2.41 0 12.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1988 Ca_Cds-HH CsJ-CdCdH 300-1500 1.45E+04 2.41 0 18.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1989 Ca_Cds-HH CsJ-CdCdCs 300-1500 4.94E+03 2.41 0 18.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1990 Ca_Cds-HH CsJ-CbHH 300-1500 1.91E+04 2.41 0 11.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1991 Ca_Cds-HH CsJ-CbCsH 300-1500 4.69E+03 2.41 0 11.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1992 Ca_Cds-HH CsJ-CbCsCs 300-1500 7.51E+02 2.41 0 10.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1993 Ca_Cds-HH CsJ-CtHH 300-1500 1.76E+04 2.41 0 11.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1994 Ca_Cds-HH CsJ-CtCsH 300-1500 3.98E+03 2.41 0 11.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1995 Ca_Cds-HH CsJ-CtCsCs 300-1500 1.01E+03 2.41 0 10.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1996 Ca_Cds-HH CdsJ-H 300-1500 2.67E+04 2.41 0 3.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1997 Ca_Cds-HH CdsJ-Cs 300-1500 1.42E+04 2.41 0 3.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1998 Ca_Cds-HH CbJ 300-1500 4.22E+04 2.41 0 1.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1999 Ca_Cds-CsH CsJ-HHH 300-1500 4.47E+04 2.41 0 6.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2000 Ca_Cds-CsH CsJ-CsHH 300-1500 4.54E+03 2.41 0 6.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2001 Ca_Cds-CsH CsJ-CsCsH 300-1500 3.64E+03 2.41 0 4.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2002 Ca_Cds-CsH CsJ-CsCsCs 300-1500 2.70E+03 2.41 0 3.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2003 Ca_Cds-CsH CsJ-CdHH 300-1500 4.72E+04 2.41 0 13.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2004 Ca_Cds-CsH CsJ-CdCsH 300-1500 8.22E+03 2.41 0 12.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2005 Ca_Cds-CsH CsJ-CdCsCs 300-1500 1.06E+03 2.41 0 11.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2006 Ca_Cds-CsH CsJ-CdCdH 300-1500 1.66E+04 2.41 0 17.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2007 Ca_Cds-CsH CsJ-CdCdCs 300-1500 5.66E+03 2.41 0 17.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2008 Ca_Cds-CsH CsJ-CbHH 300-1500 2.19E+04 2.41 0 10.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2009 Ca_Cds-CsH CsJ-CbCsH 300-1500 5.38E+03 2.41 0 10.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2010 Ca_Cds-CsH CsJ-CbCsCs 300-1500 8.61E+02 2.41 0 9.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2011 Ca_Cds-CsH CsJ-CtHH 300-1500 2.02E+04 2.41 0 10.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2012 Ca_Cds-CsH CsJ-CtCsH 300-1500 4.56E+03 2.41 0 9.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2013 Ca_Cds-CsH CsJ-CtCsCs 300-1500 1.16E+03 2.41 0 9.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2014 Ca_Cds-CsH CdsJ-H 300-1500 3.06E+04 2.41 0 2.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2015 Ca_Cds-CsH CdsJ-Cs 300-1500 1.62E+04 2.41 0 2.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2016 Ca_Cds-CsH CbJ 300-1500 4.83E+04 2.41 0 0.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2017 Ca_Cds-CsCs CsJ-HHH 300-1500 5.73E+04 2.41 0 5.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2018 Ca_Cds-CsCs CsJ-CsHH 300-1500 5.82E+03 2.41 0 5.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2019 Ca_Cds-CsCs CsJ-CsCsH 300-1500 4.67E+03 2.41 0 4.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2020 Ca_Cds-CsCs CsJ-CsCsCs 300-1500 3.46E+03 2.41 0 2.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2021 Ca_Cds-CsCs CsJ-CdHH 300-1500 6.05E+04 2.41 0 12.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2022 Ca_Cds-CsCs CsJ-CdCsH 300-1500 1.05E+04 2.41 0 11.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2023 Ca_Cds-CsCs CsJ-CdCsCs 300-1500 1.36E+03 2.41 0 10.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2024 Ca_Cds-CsCs CsJ-CdCdH 300-1500 2.12E+04 2.41 0 16.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2025 Ca_Cds-CsCs CsJ-CdCdCs 300-1500 7.25E+03 2.41 0 16.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2026 Ca_Cds-CsCs CsJ-CbHH 300-1500 2.80E+04 2.41 0 9.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2027 Ca_Cds-CsCs CsJ-CbCsH 300-1500 6.89E+03 2.41 0 9.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2028 Ca_Cds-CsCs CsJ-CbCsCs 300-1500 1.10E+03 2.41 0 8.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2029 Ca_Cds-CsCs CsJ-CtHH 300-1500 2.59E+04 2.41 0 9.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2030 Ca_Cds-CsCs CsJ-CtCsH 300-1500 5.84E+03 2.41 0 9.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2031 Ca_Cds-CsCs CsJ-CtCsCs 300-1500 1.49E+03 2.41 0 8.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2032 Ca_Cds-CsCs CdsJ-H 300-1500 3.92E+04 2.41 0 2.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2033 Ca_Cds-CsCs CdsJ-Cs 300-1500 2.08E+04 2.41 0 1.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2034 Ca_Cds-CsCs CbJ 300-1500 6.19E+04 2.41 0 -0.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -2035 Ct-H_Ct-H CsJ-HHH 300-1500 6.69E+04 2.41 0 6.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2036 Ct-H_Ct-H CsJ-CsHH 300-1500 6.80E+03 2.41 0 6.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2037 Ct-H_Ct-H CsJ-CsCsH 300-1500 5.45E+03 2.41 0 5.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2038 Ct-H_Ct-H CsJ-CsCsCs 300-1500 4.04E+03 2.41 0 3.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2039 Ct-H_Ct-H CsJ-CdHH 300-1500 7.06E+04 2.41 0 13.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2040 Ct-H_Ct-H CsJ-CdCsH 300-1500 1.23E+04 2.41 0 12.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2041 Ct-H_Ct-H CsJ-CdCsCs 300-1500 1.59E+03 2.41 0 11.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2042 Ct-H_Ct-H CsJ-CdCdH 300-1500 2.48E+04 2.41 0 17.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2043 Ct-H_Ct-H CsJ-CdCdCs 300-1500 8.47E+03 2.41 0 17.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2044 Ct-H_Ct-H CsJ-CbHH 300-1500 3.28E+04 2.41 0 10.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2045 Ct-H_Ct-H CsJ-CbCsH 300-1500 8.06E+03 2.41 0 10.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2046 Ct-H_Ct-H CsJ-CbCsCs 300-1500 1.29E+03 2.41 0 9.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2047 Ct-H_Ct-H CsJ-CtHH 300-1500 3.03E+04 2.41 0 10.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2048 Ct-H_Ct-H CsJ-CtCsH 300-1500 6.83E+03 2.41 0 10.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2049 Ct-H_Ct-H CsJ-CtCsCs 300-1500 1.74E+03 2.41 0 9.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2050 Ct-H_Ct-H CdsJ-H 300-1500 4.58E+04 2.41 0 2.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2051 Ct-H_Ct-H CdsJ-Cs 300-1500 2.43E+04 2.41 0 2.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2052 Ct-H_Ct-H CbJ 300-1500 7.23E+04 2.41 0 0.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2053 Ct-H_Ct-Cs CsJ-HHH 300-1500 1.78E+05 2.41 0 7.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2054 Ct-H_Ct-Cs CsJ-CsHH 300-1500 1.81E+04 2.41 0 6.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2055 Ct-H_Ct-Cs CsJ-CsCsH 300-1500 1.45E+04 2.41 0 5.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2056 Ct-H_Ct-Cs CsJ-CsCsCs 300-1500 1.07E+04 2.41 0 4.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2057 Ct-H_Ct-Cs CsJ-CdHH 300-1500 1.88E+05 2.41 0 13.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2058 Ct-H_Ct-Cs CsJ-CdCsH 300-1500 3.27E+04 2.41 0 13.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2059 Ct-H_Ct-Cs CsJ-CdCsCs 300-1500 4.22E+03 2.41 0 12.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2060 Ct-H_Ct-Cs CsJ-CdCdH 300-1500 6.59E+04 2.41 0 18.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2061 Ct-H_Ct-Cs CsJ-CdCdCs 300-1500 2.25E+04 2.41 0 17.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2062 Ct-H_Ct-Cs CsJ-CbHH 300-1500 8.70E+04 2.41 0 11.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2063 Ct-H_Ct-Cs CsJ-CbCsH 300-1500 2.14E+04 2.41 0 10.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2064 Ct-H_Ct-Cs CsJ-CbCsCs 300-1500 3.42E+03 2.41 0 9.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2065 Ct-H_Ct-Cs CsJ-CtHH 300-1500 8.04E+04 2.41 0 10.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2066 Ct-H_Ct-Cs CsJ-CtCsH 300-1500 1.81E+04 2.41 0 10.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2067 Ct-H_Ct-Cs CsJ-CtCsCs 300-1500 4.62E+03 2.41 0 9.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2068 Ct-H_Ct-Cs CdsJ-H 300-1500 1.22E+05 2.41 0 3.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2069 Ct-H_Ct-Cs CdsJ-Cs 300-1500 6.45E+04 2.41 0 3.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2070 Ct-H_Ct-Cs CbJ 300-1500 1.92E+05 2.41 0 0.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2071 Ct-H_Ct-Cd CsJ-HHH 300-1500 2.17E+04 2.41 0 3.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2072 Ct-H_Ct-Cd CsJ-CsHH 300-1500 2.21E+03 2.41 0 3.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2073 Ct-H_Ct-Cd CsJ-CsCsH 300-1500 1.77E+03 2.41 0 2.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2074 Ct-H_Ct-Cd CsJ-CsCsCs 300-1500 1.31E+03 2.41 0 0.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2075 Ct-H_Ct-Cd CsJ-CdHH 300-1500 2.29E+04 2.41 0 10.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2076 Ct-H_Ct-Cd CsJ-CdCsH 300-1500 4.00E+03 2.41 0 10.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2077 Ct-H_Ct-Cd CsJ-CdCsCs 300-1500 5.17E+02 2.41 0 9.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2078 Ct-H_Ct-Cd CsJ-CdCdH 300-1500 8.06E+03 2.41 0 14.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2079 Ct-H_Ct-Cd CsJ-CdCdCs 300-1500 2.75E+03 2.41 0 14.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2080 Ct-H_Ct-Cd CsJ-CbHH 300-1500 1.06E+04 2.41 0 7.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2081 Ct-H_Ct-Cd CsJ-CbCsH 300-1500 2.62E+03 2.41 0 7.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2082 Ct-H_Ct-Cd CsJ-CbCsCs 300-1500 4.19E+02 2.41 0 6.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2083 Ct-H_Ct-Cd CsJ-CtHH 300-1500 9.83E+03 2.41 0 7.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2084 Ct-H_Ct-Cd CsJ-CtCsH 300-1500 2.22E+03 2.41 0 7.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2085 Ct-H_Ct-Cd CsJ-CtCsCs 300-1500 5.66E+02 2.41 0 6.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2086 Ct-H_Ct-Cd CdsJ-H 300-1500 1.49E+04 2.41 0 0.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2087 Ct-H_Ct-Cd CdsJ-Cs 300-1500 7.89E+03 2.41 0 -0.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2088 Ct-H_Ct-Cd CbJ 300-1500 2.35E+04 2.41 0 -2.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2089 Ct-H_Ct-Ct CsJ-HHH 300-1500 2.89E+05 2.41 0 3.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2090 Ct-H_Ct-Ct CsJ-CsHH 300-1500 2.93E+04 2.41 0 2.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2091 Ct-H_Ct-Ct CsJ-CsCsH 300-1500 2.35E+04 2.41 0 1.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2092 Ct-H_Ct-Ct CsJ-CsCsCs 300-1500 1.74E+04 2.41 0 0.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2093 Ct-H_Ct-Ct CsJ-CdHH 300-1500 3.05E+05 2.41 0 9.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2094 Ct-H_Ct-Ct CsJ-CdCsH 300-1500 5.31E+04 2.41 0 9.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2095 Ct-H_Ct-Ct CsJ-CdCsCs 300-1500 6.86E+03 2.41 0 8.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2096 Ct-H_Ct-Ct CsJ-CdCdH 300-1500 1.07E+05 2.41 0 14.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2097 Ct-H_Ct-Ct CsJ-CdCdCs 300-1500 3.65E+04 2.41 0 14.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2098 Ct-H_Ct-Ct CsJ-CbHH 300-1500 1.41E+05 2.41 0 7.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2099 Ct-H_Ct-Ct CsJ-CbCsH 300-1500 3.47E+04 2.41 0 6.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2100 Ct-H_Ct-Ct CsJ-CbCsCs 300-1500 5.56E+03 2.41 0 6.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2101 Ct-H_Ct-Ct CsJ-CtHH 300-1500 1.31E+05 2.41 0 7.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2102 Ct-H_Ct-Ct CsJ-CtCsH 300-1500 2.94E+04 2.41 0 6.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2103 Ct-H_Ct-Ct CsJ-CtCsCs 300-1500 7.51E+03 2.41 0 5.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2104 Ct-H_Ct-Ct CdsJ-H 300-1500 1.97E+05 2.41 0 -0.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2105 Ct-H_Ct-Ct CdsJ-Cs 300-1500 1.05E+05 2.41 0 -0.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2106 Ct-H_Ct-Ct CbJ 300-1500 3.12E+05 2.41 0 -2.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2107 Ct-Cs_Ct-H CsJ-HHH 300-1500 1.38E+05 2.41 0 8.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2108 Ct-Cs_Ct-H CsJ-CsHH 300-1500 1.40E+04 2.41 0 8.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2109 Ct-Cs_Ct-H CsJ-CsCsH 300-1500 1.13E+04 2.41 0 7.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2110 Ct-Cs_Ct-H CsJ-CsCsCs 300-1500 8.35E+03 2.41 0 5.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2111 Ct-Cs_Ct-H CsJ-CdHH 300-1500 1.46E+05 2.41 0 15.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2112 Ct-Cs_Ct-H CsJ-CdCsH 300-1500 2.54E+04 2.41 0 14.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2113 Ct-Cs_Ct-H CsJ-CdCsCs 300-1500 3.29E+03 2.41 0 13.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2114 Ct-Cs_Ct-H CsJ-CdCdH 300-1500 5.13E+04 2.41 0 19.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2115 Ct-Cs_Ct-H CsJ-CdCdCs 300-1500 1.75E+04 2.41 0 19.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2116 Ct-Cs_Ct-H CsJ-CbHH 300-1500 6.77E+04 2.41 0 12.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2117 Ct-Cs_Ct-H CsJ-CbCsH 300-1500 1.66E+04 2.41 0 12.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2118 Ct-Cs_Ct-H CsJ-CbCsCs 300-1500 2.66E+03 2.41 0 11.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2119 Ct-Cs_Ct-H CsJ-CtHH 300-1500 6.26E+04 2.41 0 12.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2120 Ct-Cs_Ct-H CsJ-CtCsH 300-1500 1.41E+04 2.41 0 12.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2121 Ct-Cs_Ct-H CsJ-CtCsCs 300-1500 3.60E+03 2.41 0 11.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2122 Ct-Cs_Ct-H CdsJ-H 300-1500 9.46E+04 2.41 0 4.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2123 Ct-Cs_Ct-H CdsJ-Cs 300-1500 5.02E+04 2.41 0 4.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2124 Ct-Cs_Ct-H CbJ 300-1500 1.50E+05 2.41 0 2.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2125 Ct-Cs_Ct-Cs CsJ-HHH 300-1500 3.67E+05 2.41 0 9.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2126 Ct-Cs_Ct-Cs CsJ-CsHH 300-1500 3.73E+04 2.41 0 8.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2127 Ct-Cs_Ct-Cs CsJ-CsCsH 300-1500 2.99E+04 2.41 0 7.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2128 Ct-Cs_Ct-Cs CsJ-CsCsCs 300-1500 2.22E+04 2.41 0 6.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2129 Ct-Cs_Ct-Cs CsJ-CdHH 300-1500 3.88E+05 2.41 0 15.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2130 Ct-Cs_Ct-Cs CsJ-CdCsH 300-1500 6.75E+04 2.41 0 15.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2131 Ct-Cs_Ct-Cs CsJ-CdCsCs 300-1500 8.73E+03 2.41 0 14.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2132 Ct-Cs_Ct-Cs CsJ-CdCdH 300-1500 1.36E+05 2.41 0 20.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2133 Ct-Cs_Ct-Cs CsJ-CdCdCs 300-1500 4.65E+04 2.41 0 19.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2134 Ct-Cs_Ct-Cs CsJ-CbHH 300-1500 1.80E+05 2.41 0 13.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2135 Ct-Cs_Ct-Cs CsJ-CbCsH 300-1500 4.42E+04 2.41 0 12.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2136 Ct-Cs_Ct-Cs CsJ-CbCsCs 300-1500 7.07E+03 2.41 0 11.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2137 Ct-Cs_Ct-Cs CsJ-CtHH 300-1500 1.66E+05 2.41 0 12.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2138 Ct-Cs_Ct-Cs CsJ-CtCsH 300-1500 3.75E+04 2.41 0 12.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2139 Ct-Cs_Ct-Cs CsJ-CtCsCs 300-1500 9.56E+03 2.41 0 11.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2140 Ct-Cs_Ct-Cs CdsJ-H 300-1500 2.51E+05 2.41 0 5.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2141 Ct-Cs_Ct-Cs CdsJ-Cs 300-1500 1.33E+05 2.41 0 5.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2142 Ct-Cs_Ct-Cs CbJ 300-1500 3.97E+05 2.41 0 3.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2143 Ct-Cs_Ct-Cd CsJ-HHH 300-1500 4.49E+04 2.41 0 5.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2144 Ct-Cs_Ct-Cd CsJ-CsHH 300-1500 4.56E+03 2.41 0 5.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2145 Ct-Cs_Ct-Cd CsJ-CsCsH 300-1500 3.66E+03 2.41 0 4.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2146 Ct-Cs_Ct-Cd CsJ-CsCsCs 300-1500 2.71E+03 2.41 0 2.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2147 Ct-Cs_Ct-Cd CsJ-CdHH 300-1500 4.74E+04 2.41 0 12.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2148 Ct-Cs_Ct-Cd CsJ-CdCsH 300-1500 8.26E+03 2.41 0 12.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2149 Ct-Cs_Ct-Cd CsJ-CdCsCs 300-1500 1.07E+03 2.41 0 11.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2150 Ct-Cs_Ct-Cd CsJ-CdCdH 300-1500 1.67E+04 2.41 0 16.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2151 Ct-Cs_Ct-Cd CsJ-CdCdCs 300-1500 5.68E+03 2.41 0 16.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2152 Ct-Cs_Ct-Cd CsJ-CbHH 300-1500 2.20E+04 2.41 0 9.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2153 Ct-Cs_Ct-Cd CsJ-CbCsH 300-1500 5.41E+03 2.41 0 9.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2154 Ct-Cs_Ct-Cd CsJ-CbCsCs 300-1500 8.65E+02 2.41 0 8.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2155 Ct-Cs_Ct-Cd CsJ-CtHH 300-1500 2.03E+04 2.41 0 9.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2156 Ct-Cs_Ct-Cd CsJ-CtCsH 300-1500 4.58E+03 2.41 0 9.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2157 Ct-Cs_Ct-Cd CsJ-CtCsCs 300-1500 1.17E+03 2.41 0 8.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2158 Ct-Cs_Ct-Cd CdsJ-H 300-1500 3.07E+04 2.41 0 2.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2159 Ct-Cs_Ct-Cd CdsJ-Cs 300-1500 1.63E+04 2.41 0 1.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2160 Ct-Cs_Ct-Cd CbJ 300-1500 4.86E+04 2.41 0 -0.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2161 Ct-Cs_Ct-Ct CsJ-HHH 300-1500 5.97E+05 2.41 0 5.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2162 Ct-Cs_Ct-Ct CsJ-CsHH 300-1500 6.06E+04 2.41 0 4.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2163 Ct-Cs_Ct-Ct CsJ-CsCsH 300-1500 4.86E+04 2.41 0 3.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2164 Ct-Cs_Ct-Ct CsJ-CsCsCs 300-1500 3.60E+04 2.41 0 2.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2165 Ct-Cs_Ct-Ct CsJ-CdHH 300-1500 6.30E+05 2.41 0 11.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2166 Ct-Cs_Ct-Ct CsJ-CdCsH 300-1500 1.10E+05 2.41 0 11.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2167 Ct-Cs_Ct-Ct CsJ-CdCsCs 300-1500 1.42E+04 2.41 0 10.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2168 Ct-Cs_Ct-Ct CsJ-CdCdH 300-1500 2.21E+05 2.41 0 16.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2169 Ct-Cs_Ct-Ct CsJ-CdCdCs 300-1500 7.55E+04 2.41 0 16.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2170 Ct-Cs_Ct-Ct CsJ-CbHH 300-1500 2.92E+05 2.41 0 9.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2171 Ct-Cs_Ct-Ct CsJ-CbCsH 300-1500 7.18E+04 2.41 0 8.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2172 Ct-Cs_Ct-Ct CsJ-CbCsCs 300-1500 1.15E+04 2.41 0 8.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2173 Ct-Cs_Ct-Ct CsJ-CtHH 300-1500 2.70E+05 2.41 0 9.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2174 Ct-Cs_Ct-Ct CsJ-CtCsH 300-1500 6.08E+04 2.41 0 8.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2175 Ct-Cs_Ct-Ct CsJ-CtCsCs 300-1500 1.55E+04 2.41 0 7.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2176 Ct-Cs_Ct-Ct CdsJ-H 300-1500 4.08E+05 2.41 0 1.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2177 Ct-Cs_Ct-Ct CdsJ-Cs 300-1500 2.16E+05 2.41 0 1.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2178 Ct-Cs_Ct-Ct CbJ 300-1500 6.45E+05 2.41 0 -0.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2179 Ct-Cd_Ct-H CsJ-HHH 300-1500 3.69E+04 2.41 0 8.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2180 Ct-Cd_Ct-H CsJ-CsHH 300-1500 3.75E+03 2.41 0 8.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2181 Ct-Cd_Ct-H CsJ-CsCsH 300-1500 3.01E+03 2.41 0 6.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2182 Ct-Cd_Ct-H CsJ-CsCsCs 300-1500 2.23E+03 2.41 0 5.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2183 Ct-Cd_Ct-H CsJ-CdHH 300-1500 3.90E+04 2.41 0 14.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2184 Ct-Cd_Ct-H CsJ-CdCsH 300-1500 6.79E+03 2.41 0 14.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2185 Ct-Cd_Ct-H CsJ-CdCsCs 300-1500 8.78E+02 2.41 0 13.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2186 Ct-Cd_Ct-H CsJ-CdCdH 300-1500 1.37E+04 2.41 0 19.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2187 Ct-Cd_Ct-H CsJ-CdCdCs 300-1500 4.67E+03 2.41 0 19.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2188 Ct-Cd_Ct-H CsJ-CbHH 300-1500 1.81E+04 2.41 0 12.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2189 Ct-Cd_Ct-H CsJ-CbCsH 300-1500 4.44E+03 2.41 0 11.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2190 Ct-Cd_Ct-H CsJ-CbCsCs 300-1500 7.11E+02 2.41 0 11.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2191 Ct-Cd_Ct-H CsJ-CtHH 300-1500 1.67E+04 2.41 0 12.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2192 Ct-Cd_Ct-H CsJ-CtCsH 300-1500 3.77E+03 2.41 0 11.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2193 Ct-Cd_Ct-H CsJ-CtCsCs 300-1500 9.61E+02 2.41 0 11.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2194 Ct-Cd_Ct-H CdsJ-H 300-1500 2.53E+04 2.41 0 4.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2195 Ct-Cd_Ct-H CdsJ-Cs 300-1500 1.34E+04 2.41 0 4.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2196 Ct-Cd_Ct-H CbJ 300-1500 3.99E+04 2.41 0 2.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2197 Ct-Cd_Ct-Cs CsJ-HHH 300-1500 9.81E+04 2.41 0 9.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2198 Ct-Cd_Ct-Cs CsJ-CsHH 300-1500 9.96E+03 2.41 0 8.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2199 Ct-Cd_Ct-Cs CsJ-CsCsH 300-1500 7.99E+03 2.41 0 7.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2200 Ct-Cd_Ct-Cs CsJ-CsCsCs 300-1500 5.92E+03 2.41 0 5.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2201 Ct-Cd_Ct-Cs CsJ-CdHH 300-1500 1.03E+05 2.41 0 15.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2202 Ct-Cd_Ct-Cs CsJ-CdCsH 300-1500 1.80E+04 2.41 0 15.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2203 Ct-Cd_Ct-Cs CsJ-CdCsCs 300-1500 2.33E+03 2.41 0 14.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2204 Ct-Cd_Ct-Cs CsJ-CdCdH 300-1500 3.63E+04 2.41 0 19.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2205 Ct-Cd_Ct-Cs CsJ-CdCdCs 300-1500 1.24E+04 2.41 0 19.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2206 Ct-Cd_Ct-Cs CsJ-CbHH 300-1500 4.80E+04 2.41 0 13.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2207 Ct-Cd_Ct-Cs CsJ-CbCsH 300-1500 1.18E+04 2.41 0 12.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2208 Ct-Cd_Ct-Cs CsJ-CbCsCs 300-1500 1.89E+03 2.41 0 11.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2209 Ct-Cd_Ct-Cs CsJ-CtHH 300-1500 4.44E+04 2.41 0 12.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2210 Ct-Cd_Ct-Cs CsJ-CtCsH 300-1500 1.00E+04 2.41 0 12.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2211 Ct-Cd_Ct-Cs CsJ-CtCsCs 300-1500 2.55E+03 2.41 0 11.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2212 Ct-Cd_Ct-Cs CdsJ-H 300-1500 6.71E+04 2.41 0 5.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2213 Ct-Cd_Ct-Cs CdsJ-Cs 300-1500 3.56E+04 2.41 0 5.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2214 Ct-Cd_Ct-Cs CbJ 300-1500 1.06E+05 2.41 0 2.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2215 Ct-Cd_Ct-Cd CsJ-HHH 300-1500 1.20E+04 2.41 0 5.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2216 Ct-Cd_Ct-Cd CsJ-CsHH 300-1500 1.22E+03 2.41 0 5.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2217 Ct-Cd_Ct-Cd CsJ-CsCsH 300-1500 9.77E+02 2.41 0 4.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2218 Ct-Cd_Ct-Cd CsJ-CsCsCs 300-1500 7.24E+02 2.41 0 2.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2219 Ct-Cd_Ct-Cd CsJ-CdHH 300-1500 1.27E+04 2.41 0 12.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2220 Ct-Cd_Ct-Cd CsJ-CdCsH 300-1500 2.20E+03 2.41 0 11.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2221 Ct-Cd_Ct-Cd CsJ-CdCsCs 300-1500 2.85E+02 2.41 0 10.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2222 Ct-Cd_Ct-Cd CsJ-CdCdH 300-1500 4.45E+03 2.41 0 16.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2223 Ct-Cd_Ct-Cd CsJ-CdCdCs 300-1500 1.52E+03 2.41 0 16.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2224 Ct-Cd_Ct-Cd CsJ-CbHH 300-1500 5.87E+03 2.41 0 9.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2225 Ct-Cd_Ct-Cd CsJ-CbCsH 300-1500 1.44E+03 2.41 0 9.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2226 Ct-Cd_Ct-Cd CsJ-CbCsCs 300-1500 2.31E+02 2.41 0 8.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2227 Ct-Cd_Ct-Cd CsJ-CtHH 300-1500 5.43E+03 2.41 0 9.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2228 Ct-Cd_Ct-Cd CsJ-CtCsH 300-1500 1.22E+03 2.41 0 9.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2229 Ct-Cd_Ct-Cd CsJ-CtCsCs 300-1500 3.12E+02 2.41 0 8.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2230 Ct-Cd_Ct-Cd CdsJ-H 300-1500 8.21E+03 2.41 0 1.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2231 Ct-Cd_Ct-Cd CdsJ-Cs 300-1500 4.35E+03 2.41 0 1.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2232 Ct-Cd_Ct-Cd CbJ 300-1500 1.30E+04 2.41 0 -0.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2233 Ct-Cd_Ct-Ct CsJ-HHH 300-1500 1.59E+05 2.41 0 5.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2234 Ct-Cd_Ct-Ct CsJ-CsHH 300-1500 1.62E+04 2.41 0 4.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2235 Ct-Cd_Ct-Ct CsJ-CsCsH 300-1500 1.30E+04 2.41 0 3.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2236 Ct-Cd_Ct-Ct CsJ-CsCsCs 300-1500 9.61E+03 2.41 0 2.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2237 Ct-Cd_Ct-Ct CsJ-CdHH 300-1500 1.68E+05 2.41 0 11.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2238 Ct-Cd_Ct-Ct CsJ-CdCsH 300-1500 2.93E+04 2.41 0 11.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2239 Ct-Cd_Ct-Ct CsJ-CdCsCs 300-1500 3.79E+03 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2240 Ct-Cd_Ct-Ct CsJ-CdCdH 300-1500 5.90E+04 2.41 0 16.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2241 Ct-Cd_Ct-Ct CsJ-CdCdCs 300-1500 2.02E+04 2.41 0 15.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2242 Ct-Cd_Ct-Ct CsJ-CbHH 300-1500 7.79E+04 2.41 0 9.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2243 Ct-Cd_Ct-Ct CsJ-CbCsH 300-1500 1.92E+04 2.41 0 8.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2244 Ct-Cd_Ct-Ct CsJ-CbCsCs 300-1500 3.07E+03 2.41 0 7.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2245 Ct-Cd_Ct-Ct CsJ-CtHH 300-1500 7.20E+04 2.41 0 8.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2246 Ct-Cd_Ct-Ct CsJ-CtCsH 300-1500 1.62E+04 2.41 0 8.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2247 Ct-Cd_Ct-Ct CsJ-CtCsCs 300-1500 4.14E+03 2.41 0 7.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2248 Ct-Cd_Ct-Ct CdsJ-H 300-1500 1.09E+05 2.41 0 1.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2249 Ct-Cd_Ct-Ct CdsJ-Cs 300-1500 5.78E+04 2.41 0 1.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2250 Ct-Cd_Ct-Ct CbJ 300-1500 1.72E+05 2.41 0 -0.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2251 Ct-Ct_Ct-H CsJ-HHH 300-1500 1.02E+05 2.41 0 8.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2252 Ct-Ct_Ct-H CsJ-CsHH 300-1500 1.04E+04 2.41 0 7.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2253 Ct-Ct_Ct-H CsJ-CsCsH 300-1500 8.34E+03 2.41 0 6.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2254 Ct-Ct_Ct-H CsJ-CsCsCs 300-1500 6.18E+03 2.41 0 5.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2255 Ct-Ct_Ct-H CsJ-CdHH 300-1500 1.08E+05 2.41 0 14.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2256 Ct-Ct_Ct-H CsJ-CdCsH 300-1500 1.88E+04 2.41 0 14.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2257 Ct-Ct_Ct-H CsJ-CdCsCs 300-1500 2.43E+03 2.41 0 13.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2258 Ct-Ct_Ct-H CsJ-CdCdH 300-1500 3.79E+04 2.41 0 19.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2259 Ct-Ct_Ct-H CsJ-CdCdCs 300-1500 1.30E+04 2.41 0 18.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2260 Ct-Ct_Ct-H CsJ-CbHH 300-1500 5.01E+04 2.41 0 12.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2261 Ct-Ct_Ct-H CsJ-CbCsH 300-1500 1.23E+04 2.41 0 11.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2262 Ct-Ct_Ct-H CsJ-CbCsCs 300-1500 1.97E+03 2.41 0 11.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2263 Ct-Ct_Ct-H CsJ-CtHH 300-1500 4.63E+04 2.41 0 12.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2264 Ct-Ct_Ct-H CsJ-CtCsH 300-1500 1.04E+04 2.41 0 11.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2265 Ct-Ct_Ct-H CsJ-CtCsCs 300-1500 2.66E+03 2.41 0 10.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2266 Ct-Ct_Ct-H CdsJ-H 300-1500 7.00E+04 2.41 0 4.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2267 Ct-Ct_Ct-H CdsJ-Cs 300-1500 3.71E+04 2.41 0 4.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2268 Ct-Ct_Ct-H CbJ 300-1500 1.11E+05 2.41 0 2.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2269 Ct-Ct_Ct-Cs CsJ-HHH 300-1500 2.72E+05 2.41 0 8.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2270 Ct-Ct_Ct-Cs CsJ-CsHH 300-1500 2.76E+04 2.41 0 8.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2271 Ct-Ct_Ct-Cs CsJ-CsCsH 300-1500 2.21E+04 2.41 0 7.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2272 Ct-Ct_Ct-Cs CsJ-CsCsCs 300-1500 1.64E+04 2.41 0 5.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2273 Ct-Ct_Ct-Cs CsJ-CdHH 300-1500 2.87E+05 2.41 0 15.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2274 Ct-Ct_Ct-Cs CsJ-CdCsH 300-1500 5.00E+04 2.41 0 14.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2275 Ct-Ct_Ct-Cs CsJ-CdCsCs 300-1500 6.46E+03 2.41 0 13.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2276 Ct-Ct_Ct-Cs CsJ-CdCdH 300-1500 1.01E+05 2.41 0 19.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2277 Ct-Ct_Ct-Cs CsJ-CdCdCs 300-1500 3.44E+04 2.41 0 19.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2278 Ct-Ct_Ct-Cs CsJ-CbHH 300-1500 1.33E+05 2.41 0 12.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2279 Ct-Ct_Ct-Cs CsJ-CbCsH 300-1500 3.27E+04 2.41 0 12.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2280 Ct-Ct_Ct-Cs CsJ-CbCsCs 300-1500 5.23E+03 2.41 0 11.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2281 Ct-Ct_Ct-Cs CsJ-CtHH 300-1500 1.23E+05 2.41 0 12.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2282 Ct-Ct_Ct-Cs CsJ-CtCsH 300-1500 2.77E+04 2.41 0 12.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2283 Ct-Ct_Ct-Cs CsJ-CtCsCs 300-1500 7.07E+03 2.41 0 11.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2284 Ct-Ct_Ct-Cs CdsJ-H 300-1500 1.86E+05 2.41 0 4.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2285 Ct-Ct_Ct-Cs CdsJ-Cs 300-1500 9.86E+04 2.41 0 4.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2286 Ct-Ct_Ct-Cs CbJ 300-1500 2.94E+05 2.41 0 2.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2287 Ct-Ct_Ct-Cd CsJ-HHH 300-1500 3.33E+04 2.41 0 5.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2288 Ct-Ct_Ct-Cd CsJ-CsHH 300-1500 3.38E+03 2.41 0 4.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2289 Ct-Ct_Ct-Cd CsJ-CsCsH 300-1500 2.71E+03 2.41 0 3.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2290 Ct-Ct_Ct-Cd CsJ-CsCsCs 300-1500 2.01E+03 2.41 0 2.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2291 Ct-Ct_Ct-Cd CsJ-CdHH 300-1500 3.51E+04 2.41 0 11.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2292 Ct-Ct_Ct-Cd CsJ-CdCsH 300-1500 6.11E+03 2.41 0 11.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2293 Ct-Ct_Ct-Cd CsJ-CdCsCs 300-1500 7.90E+02 2.41 0 10.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2294 Ct-Ct_Ct-Cd CsJ-CdCdH 300-1500 1.23E+04 2.41 0 16.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2295 Ct-Ct_Ct-Cd CsJ-CdCdCs 300-1500 4.21E+03 2.41 0 16.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2296 Ct-Ct_Ct-Cd CsJ-CbHH 300-1500 1.63E+04 2.41 0 9.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2297 Ct-Ct_Ct-Cd CsJ-CbCsH 300-1500 4.00E+03 2.41 0 8.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2298 Ct-Ct_Ct-Cd CsJ-CbCsCs 300-1500 6.40E+02 2.41 0 8.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2299 Ct-Ct_Ct-Cd CsJ-CtHH 300-1500 1.50E+04 2.41 0 9.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2300 Ct-Ct_Ct-Cd CsJ-CtCsH 300-1500 3.39E+03 2.41 0 8.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2301 Ct-Ct_Ct-Cd CsJ-CtCsCs 300-1500 8.65E+02 2.41 0 8.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2302 Ct-Ct_Ct-Cd CdsJ-H 300-1500 2.27E+04 2.41 0 1.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2303 Ct-Ct_Ct-Cd CdsJ-Cs 300-1500 1.21E+04 2.41 0 1.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2304 Ct-Ct_Ct-Cd CbJ 300-1500 3.59E+04 2.41 0 -0.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2305 Ct-Ct_Ct-Ct CsJ-HHH 300-1500 4.41E+05 2.41 0 4.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2306 Ct-Ct_Ct-Ct CsJ-CsHH 300-1500 4.48E+04 2.41 0 4.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2307 Ct-Ct_Ct-Ct CsJ-CsCsH 300-1500 3.60E+04 2.41 0 3.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2308 Ct-Ct_Ct-Ct CsJ-CsCsCs 300-1500 2.66E+04 2.41 0 1.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2309 Ct-Ct_Ct-Ct CsJ-CdHH 300-1500 4.66E+05 2.41 0 11.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2310 Ct-Ct_Ct-Ct CsJ-CdCsH 300-1500 8.12E+04 2.41 0 11.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2311 Ct-Ct_Ct-Ct CsJ-CdCsCs 300-1500 1.05E+04 2.41 0 10.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2312 Ct-Ct_Ct-Ct CsJ-CdCdH 300-1500 1.64E+05 2.41 0 15.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2313 Ct-Ct_Ct-Ct CsJ-CdCdCs 300-1500 5.59E+04 2.41 0 15.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2314 Ct-Ct_Ct-Ct CsJ-CbHH 300-1500 2.16E+05 2.41 0 8.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2315 Ct-Ct_Ct-Ct CsJ-CbCsH 300-1500 5.31E+04 2.41 0 8.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2316 Ct-Ct_Ct-Ct CsJ-CbCsCs 300-1500 8.50E+03 2.41 0 7.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2317 Ct-Ct_Ct-Ct CsJ-CtHH 300-1500 2.00E+05 2.41 0 8.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2318 Ct-Ct_Ct-Ct CsJ-CtCsH 300-1500 4.50E+04 2.41 0 8.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2319 Ct-Ct_Ct-Ct CsJ-CtCsCs 300-1500 1.15E+04 2.41 0 7.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2320 Ct-Ct_Ct-Ct CdsJ-H 300-1500 3.02E+05 2.41 0 1.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2321 Ct-Ct_Ct-Ct CdsJ-Cs 300-1500 1.60E+05 2.41 0 0.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2322 Ct-Ct_Ct-Ct CbJ 300-1500 4.77E+05 2.41 0 -1.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - - -2323 Cds-HH_Cds-HH HJ 300-1500 4.61E+08 1.64 0 1.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2324 Cds-HH_Cds-CsH HJ 300-1500 4.95E+08 1.64 0 0.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2325 Cds-HH_Cds-CsCs HJ 300-1500 5.74E+08 1.64 0 -0.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2326 Cds-HH_Cds-CdH HJ 300-1500 4.59E+08 1.64 0 -0.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2327 Cds-HH_Cds-CdCs HJ 300-1500 5.14E+08 1.64 0 -0.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2328 Cds-HH_Cds-CdCd HJ 300-1500 2.47E+08 1.64 0 -1.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2329 Cds-HH_Cds-CtH HJ 300-1500 4.44E+08 1.64 0 -0.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2330 Cds-HH_Cds-CtCs HJ 300-1500 5.10E+08 1.64 0 -0.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2331 Cds-HH_Cds-CdCt HJ 300-1500 1.51E+08 1.64 0 -1.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2332 Cds-HH_Cds-CtCt HJ 300-1500 4.47E+08 1.64 0 -0.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2333 Cds-HH_Cds-CbH HJ 300-1500 1.20E+08 1.64 0 1.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2334 Cds-HH_Cds-CbCs HJ 300-1500 3.52E+08 1.64 0 1.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2335 Cds-HH_Ca HJ 300-1500 4.17E+08 1.64 0 1.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2336 Cds-CsH_Cds-HH HJ 300-1500 2.71E+08 1.64 0 1.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2337 Cds-CsH_Cds-CsH HJ 300-1500 2.90E+08 1.64 0 1.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2338 Cds-CsH_Cds-CsCs HJ 300-1500 3.37E+08 1.64 0 0.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2339 Cds-CsH_Cds-CdH HJ 300-1500 2.69E+08 1.64 0 0.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2340 Cds-CsH_Cds-CdCs HJ 300-1500 3.02E+08 1.64 0 0.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2341 Cds-CsH_Cds-CdCd HJ 300-1500 1.45E+08 1.64 0 -0.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2342 Cds-CsH_Cds-CtH HJ 300-1500 2.60E+08 1.64 0 0.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2343 Cds-CsH_Cds-CtCs HJ 300-1500 2.99E+08 1.64 0 0.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2344 Cds-CsH_Cds-CdCt HJ 300-1500 8.85E+07 1.64 0 -0.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2345 Cds-CsH_Cds-CtCt HJ 300-1500 2.63E+08 1.64 0 0.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2346 Cds-CsH_Cds-CbH HJ 300-1500 7.01E+07 1.64 0 2.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2347 Cds-CsH_Cds-CbCs HJ 300-1500 2.07E+08 1.64 0 1.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2348 Cds-CsH_Ca HJ 300-1500 2.45E+08 1.64 0 2.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2349 Cds-CsCs_Cds-HH HJ 300-1500 1.43E+08 1.64 0 2.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2350 Cds-CsCs_Cds-CsH HJ 300-1500 1.54E+08 1.64 0 2.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2351 Cds-CsCs_Cds-CsCs HJ 300-1500 1.78E+08 1.64 0 1.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2352 Cds-CsCs_Cds-CdH HJ 300-1500 1.43E+08 1.64 0 1.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2353 Cds-CsCs_Cds-CdCs HJ 300-1500 1.60E+08 1.64 0 0.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2354 Cds-CsCs_Cds-CdCd HJ 300-1500 7.68E+07 1.64 0 0.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2355 Cds-CsCs_Cds-CtH HJ 300-1500 1.38E+08 1.64 0 1.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2356 Cds-CsCs_Cds-CtCs HJ 300-1500 1.59E+08 1.64 0 1.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2357 Cds-CsCs_Cds-CdCt HJ 300-1500 4.69E+07 1.64 0 0.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2358 Cds-CsCs_Cds-CtCt HJ 300-1500 1.39E+08 1.64 0 0.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2359 Cds-CsCs_Cds-CbH HJ 300-1500 3.72E+07 1.64 0 3.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2360 Cds-CsCs_Cds-CbCs HJ 300-1500 1.10E+08 1.64 0 2.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2361 Cds-CsCs_Ca HJ 300-1500 1.30E+08 1.64 0 2.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2362 Cds-CdH_Cds-HH HJ 300-1500 3.23E+08 1.64 0 2.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2363 Cds-CdH_Cds-CsH HJ 300-1500 3.47E+08 1.64 0 1.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2364 Cds-CdH_Cds-CsCs HJ 300-1500 4.02E+08 1.64 0 1.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2365 Cds-CdH_Cds-CdH HJ 300-1500 3.22E+08 1.64 0 0.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2366 Cds-CdH_Cds-CdCs HJ 300-1500 3.60E+08 1.64 0 0.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2367 Cds-CdH_Cds-CdCd HJ 300-1500 1.73E+08 1.64 0 -0.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2368 Cds-CdH_Cds-CtH HJ 300-1500 3.11E+08 1.64 0 1.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2369 Cds-CdH_Cds-CtCs HJ 300-1500 3.57E+08 1.64 0 0.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2370 Cds-CdH_Cds-CdCt HJ 300-1500 1.06E+08 1.64 0 0.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2371 Cds-CdH_Cds-CtCt HJ 300-1500 3.14E+08 1.64 0 0.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2372 Cds-CdH_Cds-CbH HJ 300-1500 8.38E+07 1.64 0 2.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2373 Cds-CdH_Cds-CbCs HJ 300-1500 2.47E+08 1.64 0 2.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2374 Cds-CdH_Ca HJ 300-1500 2.92E+08 1.64 0 2.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2375 Cds-CdCs_Cds-HH HJ 300-1500 2.06E+08 1.64 0 3.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2376 Cds-CdCs_Cds-CsH HJ 300-1500 2.21E+08 1.64 0 2.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2377 Cds-CdCs_Cds-CsCs HJ 300-1500 2.57E+08 1.64 0 2.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2378 Cds-CdCs_Cds-CdH HJ 300-1500 2.06E+08 1.64 0 1.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2379 Cds-CdCs_Cds-CdCs HJ 300-1500 2.30E+08 1.64 0 1.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2380 Cds-CdCs_Cds-CdCd HJ 300-1500 1.11E+08 1.64 0 0.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2381 Cds-CdCs_Cds-CtH HJ 300-1500 1.99E+08 1.64 0 1.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2382 Cds-CdCs_Cds-CtCs HJ 300-1500 2.28E+08 1.64 0 1.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2383 Cds-CdCs_Cds-CdCt HJ 300-1500 6.75E+07 1.64 0 0.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2384 Cds-CdCs_Cds-CtCt HJ 300-1500 2.00E+08 1.64 0 1.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2385 Cds-CdCs_Cds-CbH HJ 300-1500 5.35E+07 1.64 0 3.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2386 Cds-CdCs_Cds-CbCs HJ 300-1500 1.58E+08 1.64 0 3.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2387 Cds-CdCs_Ca HJ 300-1500 1.87E+08 1.64 0 3.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2388 Cds-CdCd_Cds-HH HJ 300-1500 1.34E+08 1.64 0 3.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2389 Cds-CdCd_Cds-CsH HJ 300-1500 1.44E+08 1.64 0 3.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2390 Cds-CdCd_Cds-CsCs HJ 300-1500 1.67E+08 1.64 0 2.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2391 Cds-CdCd_Cds-CdH HJ 300-1500 1.34E+08 1.64 0 2.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2392 Cds-CdCd_Cds-CdCs HJ 300-1500 1.50E+08 1.64 0 2.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2393 Cds-CdCd_Cds-CdCd HJ 300-1500 7.19E+07 1.64 0 1.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2394 Cds-CdCd_Cds-CtH HJ 300-1500 1.29E+08 1.64 0 2.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2395 Cds-CdCd_Cds-CtCs HJ 300-1500 1.49E+08 1.64 0 2.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2396 Cds-CdCd_Cds-CdCt HJ 300-1500 4.39E+07 1.64 0 1.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2397 Cds-CdCd_Cds-CtCt HJ 300-1500 1.30E+08 1.64 0 2.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2398 Cds-CdCd_Cds-CbH HJ 300-1500 3.48E+07 1.64 0 4.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2399 Cds-CdCd_Cds-CbCs HJ 300-1500 1.03E+08 1.64 0 3.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2400 Cds-CdCd_Ca HJ 300-1500 1.22E+08 1.64 0 3.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2401 Cds-CtH_Cds-HH HJ 300-1500 2.97E+08 1.64 0 2.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2402 Cds-CtH_Cds-CsH HJ 300-1500 3.18E+08 1.64 0 2.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2403 Cds-CtH_Cds-CsCs HJ 300-1500 3.69E+08 1.64 0 1.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2404 Cds-CtH_Cds-CdH HJ 300-1500 2.95E+08 1.64 0 1.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2405 Cds-CtH_Cds-CdCs HJ 300-1500 3.31E+08 1.64 0 0.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2406 Cds-CtH_Cds-CdCd HJ 300-1500 1.59E+08 1.64 0 0.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2407 Cds-CtH_Cds-CtH HJ 300-1500 2.85E+08 1.64 0 1.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2408 Cds-CtH_Cds-CtCs HJ 300-1500 3.28E+08 1.64 0 1.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2409 Cds-CtH_Cds-CdCt HJ 300-1500 9.70E+07 1.64 0 0.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2410 Cds-CtH_Cds-CtCt HJ 300-1500 2.88E+08 1.64 0 0.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2411 Cds-CtH_Cds-CbH HJ 300-1500 7.69E+07 1.64 0 3.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2412 Cds-CtH_Cds-CbCs HJ 300-1500 2.27E+08 1.64 0 2.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2413 Cds-CtH_Ca HJ 300-1500 2.68E+08 1.64 0 2.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2414 Cds-CtCs_Cds-HH HJ 300-1500 1.83E+08 1.64 0 3.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2415 Cds-CtCs_Cds-CsH HJ 300-1500 1.96E+08 1.64 0 3.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2416 Cds-CtCs_Cds-CsCs HJ 300-1500 2.27E+08 1.64 0 2.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2417 Cds-CtCs_Cds-CdH HJ 300-1500 1.82E+08 1.64 0 2.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2418 Cds-CtCs_Cds-CdCs HJ 300-1500 2.04E+08 1.64 0 2.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2419 Cds-CtCs_Cds-CdCd HJ 300-1500 9.78E+07 1.64 0 1.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2420 Cds-CtCs_Cds-CtH HJ 300-1500 1.76E+08 1.64 0 2.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2421 Cds-CtCs_Cds-CtCs HJ 300-1500 2.02E+08 1.64 0 2.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2422 Cds-CtCs_Cds-CdCt HJ 300-1500 5.98E+07 1.64 0 1.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2423 Cds-CtCs_Cds-CtCt HJ 300-1500 1.77E+08 1.64 0 2.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2424 Cds-CtCs_Cds-CbH HJ 300-1500 4.74E+07 1.64 0 4.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2425 Cds-CtCs_Cds-CbCs HJ 300-1500 1.40E+08 1.64 0 3.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2426 Cds-CtCs_Ca HJ 300-1500 1.65E+08 1.64 0 3.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2427 Cds-CdCt_Cds-HH HJ 300-1500 2.70E+08 1.64 0 4.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2428 Cds-CdCt_Cds-CsH HJ 300-1500 2.90E+08 1.64 0 3.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2429 Cds-CdCt_Cds-CsCs HJ 300-1500 3.36E+08 1.64 0 3.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2430 Cds-CdCt_Cds-CdH HJ 300-1500 2.69E+08 1.64 0 2.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2431 Cds-CdCt_Cds-CdCs HJ 300-1500 3.01E+08 1.64 0 2.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2432 Cds-CdCt_Cds-CdCd HJ 300-1500 1.45E+08 1.64 0 1.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2433 Cds-CdCt_Cds-CtH HJ 300-1500 2.60E+08 1.64 0 3.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2434 Cds-CdCt_Cds-CtCs HJ 300-1500 2.99E+08 1.64 0 2.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2435 Cds-CdCt_Cds-CdCt HJ 300-1500 8.83E+07 1.64 0 2.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2436 Cds-CdCt_Cds-CtCt HJ 300-1500 2.62E+08 1.64 0 2.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2437 Cds-CdCt_Cds-CbH HJ 300-1500 7.00E+07 1.64 0 4.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2438 Cds-CdCt_Cds-CbCs HJ 300-1500 2.06E+08 1.64 0 4.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2439 Cds-CdCt_Ca HJ 300-1500 2.44E+08 1.64 0 4.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2440 Cds-CtCt_Cds-HH HJ 300-1500 2.52E+08 1.64 0 4.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2441 Cds-CtCt_Cds-CsH HJ 300-1500 2.71E+08 1.64 0 4.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2442 Cds-CtCt_Cds-CsCs HJ 300-1500 3.14E+08 1.64 0 3.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2443 Cds-CtCt_Cds-CdH HJ 300-1500 2.51E+08 1.64 0 3.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2444 Cds-CtCt_Cds-CdCs HJ 300-1500 2.82E+08 1.64 0 3.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2445 Cds-CtCt_Cds-CdCd HJ 300-1500 1.35E+08 1.64 0 2.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2446 Cds-CtCt_Cds-CtH HJ 300-1500 2.43E+08 1.64 0 3.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2447 Cds-CtCt_Cds-CtCs HJ 300-1500 2.79E+08 1.64 0 3.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2448 Cds-CtCt_Cds-CdCt HJ 300-1500 8.26E+07 1.64 0 2.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2449 Cds-CtCt_Cds-CtCt HJ 300-1500 2.45E+08 1.64 0 3.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2450 Cds-CtCt_Cds-CbH HJ 300-1500 6.54E+07 1.64 0 5.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2451 Cds-CtCt_Cds-CbCs HJ 300-1500 1.93E+08 1.64 0 4.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2452 Cds-CtCt_Ca HJ 300-1500 2.28E+08 1.64 0 5.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2453 Cds-CbH_Cds-HH HJ 300-1500 9.36E+07 1.64 0 4.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2454 Cds-CbH_Cds-CsH HJ 300-1500 1.00E+08 1.64 0 4.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2455 Cds-CbH_Cds-CsCs HJ 300-1500 1.16E+08 1.64 0 3.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2456 Cds-CbH_Cds-CdH HJ 300-1500 9.32E+07 1.64 0 3.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2457 Cds-CbH_Cds-CdCs HJ 300-1500 1.04E+08 1.64 0 2.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2458 Cds-CbH_Cds-CdCd HJ 300-1500 5.01E+07 1.64 0 2.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2459 Cds-CbH_Cds-CtH HJ 300-1500 9.00E+07 1.64 0 3.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2460 Cds-CbH_Cds-CtCs HJ 300-1500 1.03E+08 1.64 0 3.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2461 Cds-CbH_Cds-CdCt HJ 300-1500 3.06E+07 1.64 0 2.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2462 Cds-CbH_Cds-CtCt HJ 300-1500 9.08E+07 1.64 0 2.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2463 Cds-CbH_Cds-CbH HJ 300-1500 2.43E+07 1.64 0 5.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2464 Cds-CbH_Cds-CbCs HJ 300-1500 7.15E+07 1.64 0 4.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2465 Cds-CbH_Ca HJ 300-1500 8.47E+07 1.64 0 4.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2466 Cds-CbCs_Cds-HH HJ 300-1500 1.34E+08 1.64 0 4.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2467 Cds-CbCs_Cds-CsH HJ 300-1500 1.44E+08 1.64 0 3.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2468 Cds-CbCs_Cds-CsCs HJ 300-1500 1.67E+08 1.64 0 3.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2469 Cds-CbCs_Cds-CdH HJ 300-1500 1.34E+08 1.64 0 3.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2470 Cds-CbCs_Cds-CdCs HJ 300-1500 1.50E+08 1.64 0 2.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2471 Cds-CbCs_Cds-CdCd HJ 300-1500 7.18E+07 1.64 0 2.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2472 Cds-CbCs_Cds-CtH HJ 300-1500 1.29E+08 1.64 0 3.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2473 Cds-CbCs_Cds-CtCs HJ 300-1500 1.48E+08 1.64 0 3.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2474 Cds-CbCs_Cds-CdCt HJ 300-1500 4.38E+07 1.64 0 2.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2475 Cds-CbCs_Cds-CtCt HJ 300-1500 1.30E+08 1.64 0 2.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2476 Cds-CbCs_Cds-CbH HJ 300-1500 3.48E+07 1.64 0 5.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2477 Cds-CbCs_Cds-CbCs HJ 300-1500 1.02E+08 1.64 0 4.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2478 Cds-CbCs_Ca HJ 300-1500 1.21E+08 1.64 0 4.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -2479 Ct-H_Ct-H HJ 300-1500 5.13E+08 1.64 0 2.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2480 Ct-H_Ct-Cs HJ 300-1500 1.49E+09 1.64 0 3.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2481 Ct-H_Ct-Cd HJ 300-1500 5.67E+08 1.64 0 1.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2482 Ct-H_Ct-Ct HJ 300-1500 1.06E+09 1.64 0 1.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2483 Ct-Cs_Ct-H HJ 300-1500 6.89E+08 1.64 0 3.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2484 Ct-Cs_Ct-Cs HJ 300-1500 2.01E+09 1.64 0 4.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2485 Ct-Cs_Ct-Cd HJ 300-1500 7.62E+08 1.64 0 2.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2486 Ct-Cs_Ct-Ct HJ 300-1500 1.42E+09 1.64 0 2.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2487 Ct-Cd_Ct-H HJ 300-1500 5.22E+08 1.64 0 3.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2488 Ct-Cd_Ct-Cs HJ 300-1500 1.52E+09 1.64 0 4.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2489 Ct-Cd_Ct-Cd HJ 300-1500 5.78E+08 1.64 0 3.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2490 Ct-Cd_Ct-Ct HJ 300-1500 1.08E+09 1.64 0 2.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2491 Ct-Ct_Ct-H HJ 300-1500 8.34E+08 1.64 0 4.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2492 Ct-Ct_Ct-Cs HJ 300-1500 2.43E+09 1.64 0 5.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2493 Ct-Ct_Ct-Cd HJ 300-1500 9.22E+08 1.64 0 3.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2494 Ct-Ct_Ct-Ct HJ 300-1500 1.72E+09 1.64 0 3.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -2495 Ca_Cds-HH HJ 300-1500 8.80E+08 1.64 0 2.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2496 Ca_Cds-CsH HJ 300-1500 1.09E+09 1.64 0 3.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2497 Ca_Cds-CsCs HJ 300-1500 6.10E+08 1.64 0 2.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -// Addition reactions involving S atoms - -2498 Cds-HH_Sd HJ 300-1500 4.62E+08 1.7 0 0.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2499 Cds-HH_Sd CsJ-HHH 300-1500 1.15E+04 2.8 0 -0.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2500 Cds-HH_Sd CsJ-CsHH 300-1500 5.57E+02 2.9 0 -2.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2501 Cds-HH_Sd CsJ-CsCsH 300-1500 1.78E+02 2.9 0 -4.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2502 Cds-HH_Sd CsJ-CsCsCs 300-1500 1.20E+02 3.0 0 -5.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2511 Cds-HH_Sd SsJ-H 300-1500 2.92E+04 2.5 0 -1.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2512 Cds-HH_Sd SsJ-Cs 300-1500 8.58E+02 2.9 0 -0.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2516 Cds-HH_Sd SsJ-Ss 300-1500 3.19E+01 3.0 0 3.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2517 Cds-CsH_Sd CsJ-HHH 300-1500 1.00E+00 2.8 0 1.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2518 Cds-CsCs_Sd CsJ-HHH 300-1500 1.00E+00 2.7 0 2.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -2521 Sd_Cds-HH HJ 300-1500 9.50E+08 1.7 0 -0.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2522 Sd_Cds-HH CsJ-HHH 300-1500 3.76E+03 2.9 0 1.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2523 Sd_Cds-HH CsJ-CsHH 300-1500 1.69E+02 3.0 0 -1.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2524 Sd_Cds-HH CsJ-CsCsH 300-1500 6.44E+01 3.0 0 -2.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2525 Sd_Cds-HH CsJ-CsCsCs 300-1500 3.62E+01 3.1 0 -3.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2534 Sd_Cds-HH SsJ-H 300-1500 1.44E+04 2.6 0 -6.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2535 Sd_Cds-HH SsJ-Cs 300-1500 3.82E+02 3.0 0 -3.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2539 Sd_Cds-HH SsJ-Ss 300-1500 1.34E+01 3.3 0 1.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2540 Sd_Cds-CsH CsJ-HHH 300-1500 5.36E+03 2.8 0 1.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2541 Sd_Cds-CsCs CsJ-HHH 300-1500 5.29E+03 2.7 0 2.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2542 Sd_Cds-CdH CsJ-HHH 300-1500 1.65E+03 3.2 0 1.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2543 Sd_Cds-CdCs CsJ-HHH 300-1500 1.68E+03 3.1 0 1.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2544 Cds-HH_Cds-HH SsJ-H 300-1500 4.98E+03 2.7 0 -0.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2545 Cds-HH_Cds-HH SsJ-Cs 300-1500 7.39E+01 3.1 0 1.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2549 Cds-HH_Cds-HH SsJ-Ss 300-1500 4.21E+00 3.3 0 7.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/CVS/Entries deleted file mode 100644 index 28a057976a..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/CVS/Entries +++ /dev/null @@ -1,5 +0,0 @@ -/comments.txt/1.1/Wed Aug 5 18:25:54 2009// -/dictionary.txt/1.4/Mon Jul 13 12:37:18 2009// -/rateLibrary.txt/1.3/Wed Aug 5 21:29:37 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.2/Mon Jul 13 12:37:33 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/CVS/Repository deleted file mode 100644 index c095ccac95..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ 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z;x#BzT05`C<^?i{;^;}T-@m}dXO|Jh|0w=Ei@Fe(3C~i<_sV3%Vur#ik-yE!_y2qMzia)Id;3ePpZqti|8;iy WT6jO9GXQ}9^UC=dR5Wh?dix(HQ+Lq- diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/Pure rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/Pure rateLibrary.txt deleted file mode 100644 index 4eddc440d4..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/Pure rateLibrary.txt +++ /dev/null @@ -1,2538 +0,0 @@ -// rate library for f02: Radical addition to multiple bond -// original from rate_library_4.txt. Cath. 03/07/28 - -// JS. define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -1 Cds-HH_Cds-HH CsJ-HHH 300-1500 2.09E+04 2.41 0 5.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2 Cds-HH_Cds-HH CsJ-CsHH 300-1500 2.12E+03 2.41 0 5.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -3 Cds-HH_Cds-HH CsJ-CsCsH 300-1500 1.70E+03 2.41 0 3.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -4 Cds-HH_Cds-HH CsJ-CsCsCs 300-1500 1.26E+03 2.41 0 2.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -5 Cds-HH_Cds-HH CsJ-CdHH 300-1500 2.21E+04 2.41 0 11.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -6 Cds-HH_Cds-HH CsJ-CdCsH 300-1500 3.84E+03 2.41 0 11.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -7 Cds-HH_Cds-HH CsJ-CdCsCs 300-1500 4.97E+02 2.41 0 10.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -8 Cds-HH_Cds-HH CsJ-CdCdH 300-1500 7.75E+03 2.41 0 16.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -9 Cds-HH_Cds-HH CsJ-CdCdCs 300-1500 2.65E+03 2.41 0 16.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -10 Cds-HH_Cds-HH CsJ-CbHH 300-1500 1.02E+04 2.41 0 9.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -11 Cds-HH_Cds-HH CsJ-CbCsH 300-1500 2.52E+03 2.41 0 8.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -12 Cds-HH_Cds-HH CsJ-CbCsCs 300-1500 4.03E+02 2.41 0 8.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -13 Cds-HH_Cds-HH CsJ-CtHH 300-1500 9.46E+03 2.41 0 9.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -14 Cds-HH_Cds-HH CsJ-CtCsH 300-1500 2.13E+03 2.41 0 8.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -15 Cds-HH_Cds-HH CsJ-CtCsCs 300-1500 5.44E+02 2.41 0 8.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -16 Cds-HH_Cds-HH CdsJ-H 300-1500 1.43E+04 2.41 0 1.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -17 Cds-HH_Cds-HH CdsJ-Cs 300-1500 7.59E+03 2.41 0 1.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -18 Cds-HH_Cds-HH CbJ 300-1500 2.26E+04 2.41 0 -0.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -19 Cds-HH_Cds-CsH CsJ-HHH 300-1500 2.10E+04 2.41 0 5.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -20 Cds-HH_Cds-CsH CsJ-CsHH 300-1500 2.13E+03 2.41 0 4.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -21 Cds-HH_Cds-CsH CsJ-CsCsH 300-1500 1.71E+03 2.41 0 3.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -22 Cds-HH_Cds-CsH CsJ-CsCsCs 300-1500 1.27E+03 2.41 0 2.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -23 Cds-HH_Cds-CsH CsJ-CdHH 300-1500 2.22E+04 2.41 0 11.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -24 Cds-HH_Cds-CsH CsJ-CdCsH 300-1500 3.86E+03 2.41 0 11.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -25 Cds-HH_Cds-CsH CsJ-CdCsCs 300-1500 4.99E+02 2.41 0 10.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -26 Cds-HH_Cds-CsH CsJ-CdCdH 300-1500 7.78E+03 2.41 0 16.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -27 Cds-HH_Cds-CsH CsJ-CdCdCs 300-1500 2.66E+03 2.41 0 15.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -28 Cds-HH_Cds-CsH CsJ-CbHH 300-1500 1.03E+04 2.41 0 9.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -29 Cds-HH_Cds-CsH CsJ-CbCsH 300-1500 2.53E+03 2.41 0 8.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -30 Cds-HH_Cds-CsH CsJ-CbCsCs 300-1500 4.04E+02 2.41 0 8.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -31 Cds-HH_Cds-CsH CsJ-CtHH 300-1500 9.50E+03 2.41 0 9.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -32 Cds-HH_Cds-CsH CsJ-CtCsH 300-1500 2.14E+03 2.41 0 8.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -33 Cds-HH_Cds-CsH CsJ-CtCsCs 300-1500 5.46E+02 2.41 0 7.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -34 Cds-HH_Cds-CsH CdsJ-H 300-1500 1.44E+04 2.41 0 1.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -35 Cds-HH_Cds-CsH CdsJ-Cs 300-1500 7.62E+03 2.41 0 1.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -36 Cds-HH_Cds-CsH CbJ 300-1500 2.27E+04 2.41 0 -0.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -37 Cds-HH_Cds-CsCs CsJ-HHH 300-1500 2.64E+04 2.41 0 4.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -38 Cds-HH_Cds-CsCs CsJ-CsHH 300-1500 2.68E+03 2.41 0 4.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -39 Cds-HH_Cds-CsCs CsJ-CsCsH 300-1500 2.15E+03 2.41 0 3.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -40 Cds-HH_Cds-CsCs CsJ-CsCsCs 300-1500 1.59E+03 2.41 0 1.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -41 Cds-HH_Cds-CsCs CsJ-CdHH 300-1500 2.79E+04 2.41 0 11.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -42 Cds-HH_Cds-CsCs CsJ-CdCsH 300-1500 4.86E+03 2.41 0 10.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -43 Cds-HH_Cds-CsCs CsJ-CdCsCs 300-1500 6.28E+02 2.41 0 10.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -44 Cds-HH_Cds-CsCs CsJ-CdCdH 300-1500 9.79E+03 2.41 0 15.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -45 Cds-HH_Cds-CsCs CsJ-CdCdCs 300-1500 3.34E+03 2.41 0 15.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -46 Cds-HH_Cds-CsCs CsJ-CbHH 300-1500 1.29E+04 2.41 0 8.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -47 Cds-HH_Cds-CsCs CsJ-CbCsH 300-1500 3.18E+03 2.41 0 8.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -48 Cds-HH_Cds-CsCs CsJ-CbCsCs 300-1500 5.09E+02 2.41 0 7.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -49 Cds-HH_Cds-CsCs CsJ-CtHH 300-1500 1.20E+04 2.41 0 8.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -50 Cds-HH_Cds-CsCs CsJ-CtCsH 300-1500 2.69E+03 2.41 0 8.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -51 Cds-HH_Cds-CsCs CsJ-CtCsCs 300-1500 6.87E+02 2.41 0 7.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -52 Cds-HH_Cds-CsCs CdsJ-H 300-1500 1.81E+04 2.41 0 1.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -53 Cds-HH_Cds-CsCs CdsJ-Cs 300-1500 9.58E+03 2.41 0 0.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -54 Cds-HH_Cds-CsCs CbJ 300-1500 2.86E+04 2.41 0 -1.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -55 Cds-HH_Cds-CdH CsJ-HHH 300-1500 2.36E+04 2.41 0 2.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -56 Cds-HH_Cds-CdH CsJ-CsHH 300-1500 2.39E+03 2.41 0 1.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -57 Cds-HH_Cds-CdH CsJ-CsCsH 300-1500 1.92E+03 2.41 0 0.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -58 Cds-HH_Cds-CdH CsJ-CsCsCs 300-1500 1.42E+03 2.41 0 -0.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -59 Cds-HH_Cds-CdH CsJ-CdHH 300-1500 2.49E+04 2.41 0 8.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -60 Cds-HH_Cds-CdH CsJ-CdCsH 300-1500 4.33E+03 2.41 0 8.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -61 Cds-HH_Cds-CdH CsJ-CdCsCs 300-1500 5.61E+02 2.41 0 7.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -62 Cds-HH_Cds-CdH CsJ-CdCdH 300-1500 8.74E+03 2.41 0 13.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -63 Cds-HH_Cds-CdH CsJ-CdCdCs 300-1500 2.98E+03 2.41 0 13.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -64 Cds-HH_Cds-CdH CsJ-CbHH 300-1500 1.15E+04 2.41 0 6.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -65 Cds-HH_Cds-CdH CsJ-CbCsH 300-1500 2.84E+03 2.41 0 5.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -66 Cds-HH_Cds-CdH CsJ-CbCsCs 300-1500 4.54E+02 2.41 0 5.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -67 Cds-HH_Cds-CdH CsJ-CtHH 300-1500 1.07E+04 2.41 0 6.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -68 Cds-HH_Cds-CdH CsJ-CtCsH 300-1500 2.40E+03 2.41 0 5.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -69 Cds-HH_Cds-CdH CsJ-CtCsCs 300-1500 6.14E+02 2.41 0 5.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -70 Cds-HH_Cds-CdH CdsJ-H 300-1500 1.61E+04 2.41 0 -1.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -71 Cds-HH_Cds-CdH CdsJ-Cs 300-1500 8.55E+03 2.41 0 -1.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -72 Cds-HH_Cds-CdH CbJ 300-1500 2.55E+04 2.41 0 -3.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -73 Cds-HH_Cds-CdCs CsJ-HHH 300-1500 2.68E+04 2.41 0 2.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -74 Cds-HH_Cds-CdCs CsJ-CsHH 300-1500 2.72E+03 2.41 0 1.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -75 Cds-HH_Cds-CdCs CsJ-CsCsH 300-1500 2.18E+03 2.41 0 0.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -76 Cds-HH_Cds-CdCs CsJ-CsCsCs 300-1500 1.61E+03 2.41 0 -1.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -77 Cds-HH_Cds-CdCs CsJ-CdHH 300-1500 2.82E+04 2.41 0 8.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -78 Cds-HH_Cds-CdCs CsJ-CdCsH 300-1500 4.92E+03 2.41 0 8.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -79 Cds-HH_Cds-CdCs CsJ-CdCsCs 300-1500 6.36E+02 2.41 0 7.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -80 Cds-HH_Cds-CdCs CsJ-CdCdH 300-1500 9.92E+03 2.41 0 12.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -81 Cds-HH_Cds-CdCs CsJ-CdCdCs 300-1500 3.39E+03 2.41 0 12.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -82 Cds-HH_Cds-CdCs CsJ-CbHH 300-1500 1.31E+04 2.41 0 6.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -83 Cds-HH_Cds-CdCs CsJ-CbCsH 300-1500 3.22E+03 2.41 0 5.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -84 Cds-HH_Cds-CdCs CsJ-CbCsCs 300-1500 5.15E+02 2.41 0 4.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -85 Cds-HH_Cds-CdCs CsJ-CtHH 300-1500 1.21E+04 2.41 0 5.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -86 Cds-HH_Cds-CdCs CsJ-CtCsH 300-1500 2.73E+03 2.41 0 5.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -87 Cds-HH_Cds-CdCs CsJ-CtCsCs 300-1500 6.96E+02 2.41 0 4.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -88 Cds-HH_Cds-CdCs CdsJ-H 300-1500 1.83E+04 2.41 0 -1.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -89 Cds-HH_Cds-CdCs CdsJ-Cs 300-1500 9.71E+03 2.41 0 -1.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -90 Cds-HH_Cds-CdCs CbJ 300-1500 2.89E+04 2.41 0 -4.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -91 Cds-HH_Cds-CdCd CsJ-HHH 300-1500 8.16E+04 2.41 0 1.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -92 Cds-HH_Cds-CdCd CsJ-CsHH 300-1500 8.28E+03 2.41 0 0.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -93 Cds-HH_Cds-CdCd CsJ-CsCsH 300-1500 6.64E+03 2.41 0 -0.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -94 Cds-HH_Cds-CdCd CsJ-CsCsCs 300-1500 4.92E+03 2.41 0 -1.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -95 Cds-HH_Cds-CdCd CsJ-CdHH 300-1500 8.61E+04 2.41 0 7.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -96 Cds-HH_Cds-CdCd CsJ-CdCsH 300-1500 1.50E+04 2.41 0 7.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -97 Cds-HH_Cds-CdCd CsJ-CdCsCs 300-1500 1.94E+03 2.41 0 6.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -98 Cds-HH_Cds-CdCd CsJ-CdCdH 300-1500 3.02E+04 2.41 0 12.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -99 Cds-HH_Cds-CdCd CsJ-CdCdCs 300-1500 1.03E+04 2.41 0 11.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -100 Cds-HH_Cds-CdCd CsJ-CbHH 300-1500 3.99E+04 2.41 0 5.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -101 Cds-HH_Cds-CdCd CsJ-CbCsH 300-1500 9.82E+03 2.41 0 4.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -102 Cds-HH_Cds-CdCd CsJ-CbCsCs 300-1500 1.57E+03 2.41 0 3.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -103 Cds-HH_Cds-CdCd CsJ-CtHH 300-1500 3.69E+04 2.41 0 4.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -104 Cds-HH_Cds-CdCd CsJ-CtCsH 300-1500 8.32E+03 2.41 0 4.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -105 Cds-HH_Cds-CdCd CsJ-CtCsCs 300-1500 2.12E+03 2.41 0 3.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -106 Cds-HH_Cds-CdCd CdsJ-H 300-1500 5.58E+04 2.41 0 -2.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -107 Cds-HH_Cds-CdCd CdsJ-Cs 300-1500 2.96E+04 2.41 0 -2.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -108 Cds-HH_Cds-CdCd CbJ 300-1500 8.81E+04 2.41 0 -5.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -109 Cds-HH_Cds-CbH CsJ-HHH 300-1500 7.70E+03 2.41 0 4.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -110 Cds-HH_Cds-CbH CsJ-CsHH 300-1500 7.82E+02 2.41 0 3.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -111 Cds-HH_Cds-CbH CsJ-CsCsH 300-1500 6.27E+02 2.41 0 2.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -112 Cds-HH_Cds-CbH CsJ-CsCsCs 300-1500 4.64E+02 2.41 0 1.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -113 Cds-HH_Cds-CbH CsJ-CdHH 300-1500 8.12E+03 2.41 0 10.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -114 Cds-HH_Cds-CbH CsJ-CdCsH 300-1500 1.41E+03 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -115 Cds-HH_Cds-CbH CsJ-CdCsCs 300-1500 1.83E+02 2.41 0 9.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -116 Cds-HH_Cds-CbH CsJ-CdCdH 300-1500 2.85E+03 2.41 0 15.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -117 Cds-HH_Cds-CbH CsJ-CdCdCs 300-1500 9.74E+02 2.41 0 14.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -118 Cds-HH_Cds-CbH CsJ-CbHH 300-1500 3.77E+03 2.41 0 8.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -119 Cds-HH_Cds-CbH CsJ-CbCsH 300-1500 9.26E+02 2.41 0 7.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -120 Cds-HH_Cds-CbH CsJ-CbCsCs 300-1500 1.48E+02 2.41 0 7.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -121 Cds-HH_Cds-CbH CsJ-CtHH 300-1500 3.48E+03 2.41 0 7.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -122 Cds-HH_Cds-CbH CsJ-CtCsH 300-1500 7.85E+02 2.41 0 7.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -123 Cds-HH_Cds-CbH CsJ-CtCsCs 300-1500 2.00E+02 2.41 0 6.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -124 Cds-HH_Cds-CbH CdsJ-H 300-1500 5.27E+03 2.41 0 0.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -125 Cds-HH_Cds-CbH CdsJ-Cs 300-1500 2.79E+03 2.41 0 0.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -126 Cds-HH_Cds-CbH CbJ 300-1500 8.32E+03 2.41 0 -1.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -127 Cds-HH_Cds-CbCs CsJ-HHH 300-1500 1.63E+04 2.41 0 4.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -128 Cds-HH_Cds-CbCs CsJ-CsHH 300-1500 1.66E+03 2.41 0 3.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -129 Cds-HH_Cds-CbCs CsJ-CsCsH 300-1500 1.33E+03 2.41 0 2.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -130 Cds-HH_Cds-CbCs CsJ-CsCsCs 300-1500 9.85E+02 2.41 0 0.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -131 Cds-HH_Cds-CbCs CsJ-CdHH 300-1500 1.72E+04 2.41 0 10.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -132 Cds-HH_Cds-CbCs CsJ-CdCsH 300-1500 3.00E+03 2.41 0 10.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -133 Cds-HH_Cds-CbCs CsJ-CdCsCs 300-1500 3.88E+02 2.41 0 9.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -134 Cds-HH_Cds-CbCs CsJ-CdCdH 300-1500 6.05E+03 2.41 0 14.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -135 Cds-HH_Cds-CbCs CsJ-CdCdCs 300-1500 2.07E+03 2.41 0 14.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -136 Cds-HH_Cds-CbCs CsJ-CbHH 300-1500 7.99E+03 2.41 0 8.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -137 Cds-HH_Cds-CbCs CsJ-CbCsH 300-1500 1.96E+03 2.41 0 7.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -138 Cds-HH_Cds-CbCs CsJ-CbCsCs 300-1500 3.14E+02 2.41 0 6.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -139 Cds-HH_Cds-CbCs CsJ-CtHH 300-1500 7.38E+03 2.41 0 7.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -140 Cds-HH_Cds-CbCs CsJ-CtCsH 300-1500 1.66E+03 2.41 0 7.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -141 Cds-HH_Cds-CbCs CsJ-CtCsCs 300-1500 4.25E+02 2.41 0 6.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -142 Cds-HH_Cds-CbCs CdsJ-H 300-1500 1.12E+04 2.41 0 0.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -143 Cds-HH_Cds-CbCs CdsJ-Cs 300-1500 5.92E+03 2.41 0 0.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -144 Cds-HH_Cds-CbCs CbJ 300-1500 1.76E+04 2.41 0 -2.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -145 Cds-HH_Cds-CtH CsJ-HHH 300-1500 3.06E+04 2.41 0 2.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -146 Cds-HH_Cds-CtH CsJ-CsHH 300-1500 3.10E+03 2.41 0 1.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -147 Cds-HH_Cds-CtH CsJ-CsCsH 300-1500 2.49E+03 2.41 0 0.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -148 Cds-HH_Cds-CtH CsJ-CsCsCs 300-1500 1.84E+03 2.41 0 -0.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -149 Cds-HH_Cds-CtH CsJ-CdHH 300-1500 3.23E+04 2.41 0 8.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -150 Cds-HH_Cds-CtH CsJ-CdCsH 300-1500 5.62E+03 2.41 0 8.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -151 Cds-HH_Cds-CtH CsJ-CdCsCs 300-1500 7.27E+02 2.41 0 7.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -152 Cds-HH_Cds-CtH CsJ-CdCdH 300-1500 1.13E+04 2.41 0 13.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -153 Cds-HH_Cds-CtH CsJ-CdCdCs 300-1500 3.87E+03 2.41 0 13.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -154 Cds-HH_Cds-CtH CsJ-CbHH 300-1500 1.50E+04 2.41 0 6.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -155 Cds-HH_Cds-CtH CsJ-CbCsH 300-1500 3.68E+03 2.41 0 5.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -156 Cds-HH_Cds-CtH CsJ-CbCsCs 300-1500 5.89E+02 2.41 0 5.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -157 Cds-HH_Cds-CtH CsJ-CtHH 300-1500 1.38E+04 2.41 0 6.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -158 Cds-HH_Cds-CtH CsJ-CtCsH 300-1500 3.12E+03 2.41 0 5.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -159 Cds-HH_Cds-CtH CsJ-CtCsCs 300-1500 7.95E+02 2.41 0 4.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -160 Cds-HH_Cds-CtH CdsJ-H 300-1500 2.09E+04 2.41 0 -1.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -161 Cds-HH_Cds-CtH CdsJ-Cs 300-1500 1.11E+04 2.41 0 -1.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -162 Cds-HH_Cds-CtH CbJ 300-1500 3.30E+04 2.41 0 -3.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -163 Cds-HH_Cds-CtCs CsJ-HHH 300-1500 3.13E+04 2.41 0 2.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -164 Cds-HH_Cds-CtCs CsJ-CsHH 300-1500 3.18E+03 2.41 0 1.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -165 Cds-HH_Cds-CtCs CsJ-CsCsH 300-1500 2.55E+03 2.41 0 0.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -166 Cds-HH_Cds-CtCs CsJ-CsCsCs 300-1500 1.89E+03 2.41 0 -0.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -167 Cds-HH_Cds-CtCs CsJ-CdHH 300-1500 3.30E+04 2.41 0 8.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -168 Cds-HH_Cds-CtCs CsJ-CdCsH 300-1500 5.75E+03 2.41 0 8.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -169 Cds-HH_Cds-CtCs CsJ-CdCsCs 300-1500 7.44E+02 2.41 0 7.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -170 Cds-HH_Cds-CtCs CsJ-CdCdH 300-1500 1.16E+04 2.41 0 13.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -171 Cds-HH_Cds-CtCs CsJ-CdCdCs 300-1500 3.96E+03 2.41 0 12.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -172 Cds-HH_Cds-CtCs CsJ-CbHH 300-1500 1.53E+04 2.41 0 6.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -173 Cds-HH_Cds-CtCs CsJ-CbCsH 300-1500 3.77E+03 2.41 0 5.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -174 Cds-HH_Cds-CtCs CsJ-CbCsCs 300-1500 6.03E+02 2.41 0 5.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -175 Cds-HH_Cds-CtCs CsJ-CtHH 300-1500 1.42E+04 2.41 0 6.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -176 Cds-HH_Cds-CtCs CsJ-CtCsH 300-1500 3.19E+03 2.41 0 5.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -177 Cds-HH_Cds-CtCs CsJ-CtCsCs 300-1500 8.14E+02 2.41 0 4.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -178 Cds-HH_Cds-CtCs CdsJ-H 300-1500 2.14E+04 2.41 0 -1.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -179 Cds-HH_Cds-CtCs CdsJ-Cs 300-1500 1.14E+04 2.41 0 -1.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -180 Cds-HH_Cds-CtCs CbJ 300-1500 3.38E+04 2.41 0 -3.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -181 Cds-HH_Ca CsJ-HHH 300-1500 2.26E+04 2.41 0 6.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -182 Cds-HH_Ca CsJ-CsHH 300-1500 2.29E+03 2.41 0 5.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -183 Cds-HH_Ca CsJ-CsCsH 300-1500 1.84E+03 2.41 0 4.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -184 Cds-HH_Ca CsJ-CsCsCs 300-1500 1.36E+03 2.41 0 3.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -185 Cds-HH_Ca CsJ-CdHH 300-1500 2.38E+04 2.41 0 12.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -186 Cds-HH_Ca CsJ-CdCsH 300-1500 4.15E+03 2.41 0 12.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -187 Cds-HH_Ca CsJ-CdCsCs 300-1500 5.37E+02 2.41 0 11.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -188 Cds-HH_Ca CsJ-CdCdH 300-1500 8.37E+03 2.41 0 17.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -189 Cds-HH_Ca CsJ-CdCdCs 300-1500 2.86E+03 2.41 0 16.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -190 Cds-HH_Ca CsJ-CbHH 300-1500 1.11E+04 2.41 0 10.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -191 Cds-HH_Ca CsJ-CbCsH 300-1500 2.72E+03 2.41 0 9.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -192 Cds-HH_Ca CsJ-CbCsCs 300-1500 4.35E+02 2.41 0 8.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -193 Cds-HH_Ca CsJ-CtHH 300-1500 1.02E+04 2.41 0 9.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -194 Cds-HH_Ca CsJ-CtCsH 300-1500 2.30E+03 2.41 0 9.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -195 Cds-HH_Ca CsJ-CtCsCs 300-1500 5.88E+02 2.41 0 8.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -196 Cds-HH_Ca CdsJ-H 300-1500 1.54E+04 2.41 0 2.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -197 Cds-HH_Ca CdsJ-Cs 300-1500 8.19E+03 2.41 0 2.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -198 Cds-HH_Ca CbJ 300-1500 2.44E+04 2.41 0 -0.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -199 Cds-CsH_Cds-HH CsJ-HHH 300-1500 1.00E+04 2.41 0 7.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -200 Cds-CsH_Cds-HH CsJ-CsHH 300-1500 1.02E+03 2.41 0 6.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -201 Cds-CsH_Cds-HH CsJ-CsCsH 300-1500 8.18E+02 2.41 0 5.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -202 Cds-CsH_Cds-HH CsJ-CsCsCs 300-1500 6.06E+02 2.41 0 3.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -203 Cds-CsH_Cds-HH CsJ-CdHH 300-1500 1.06E+04 2.41 0 13.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -204 Cds-CsH_Cds-HH CsJ-CdCsH 300-1500 1.85E+03 2.41 0 13.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -205 Cds-CsH_Cds-HH CsJ-CdCsCs 300-1500 2.39E+02 2.41 0 12.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -206 Cds-CsH_Cds-HH CsJ-CdCdH 300-1500 3.72E+03 2.41 0 17.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -207 Cds-CsH_Cds-HH CsJ-CdCdCs 300-1500 1.27E+03 2.41 0 17.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -208 Cds-CsH_Cds-HH CsJ-CbHH 300-1500 4.91E+03 2.41 0 11.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -209 Cds-CsH_Cds-HH CsJ-CbCsH 300-1500 1.21E+03 2.41 0 10.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -210 Cds-CsH_Cds-HH CsJ-CbCsCs 300-1500 1.93E+02 2.41 0 9.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -211 Cds-CsH_Cds-HH CsJ-CtHH 300-1500 4.54E+03 2.41 0 10.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -212 Cds-CsH_Cds-HH CsJ-CtCsH 300-1500 1.02E+03 2.41 0 10.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -213 Cds-CsH_Cds-HH CsJ-CtCsCs 300-1500 2.61E+02 2.41 0 9.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -214 Cds-CsH_Cds-HH CdsJ-H 300-1500 6.87E+03 2.41 0 3.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -215 Cds-CsH_Cds-HH CdsJ-Cs 300-1500 3.64E+03 2.41 0 3.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -216 Cds-CsH_Cds-HH CbJ 300-1500 1.08E+04 2.41 0 0.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -217 Cds-CsH_Cds-CsH CsJ-HHH 300-1500 1.01E+04 2.41 0 6.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -218 Cds-CsH_Cds-CsH CsJ-CsHH 300-1500 1.02E+03 2.41 0 6.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -219 Cds-CsH_Cds-CsH CsJ-CsCsH 300-1500 8.21E+02 2.41 0 5.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -220 Cds-CsH_Cds-CsH CsJ-CsCsCs 300-1500 6.08E+02 2.41 0 3.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -221 Cds-CsH_Cds-CsH CsJ-CdHH 300-1500 1.06E+04 2.41 0 13.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -222 Cds-CsH_Cds-CsH CsJ-CdCsH 300-1500 1.85E+03 2.41 0 12.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -223 Cds-CsH_Cds-CsH CsJ-CdCsCs 300-1500 2.40E+02 2.41 0 11.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -224 Cds-CsH_Cds-CsH CsJ-CdCdH 300-1500 3.74E+03 2.41 0 17.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -225 Cds-CsH_Cds-CsH CsJ-CdCdCs 300-1500 1.28E+03 2.41 0 17.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -226 Cds-CsH_Cds-CsH CsJ-CbHH 300-1500 4.93E+03 2.41 0 10.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -227 Cds-CsH_Cds-CsH CsJ-CbCsH 300-1500 1.21E+03 2.41 0 10.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -228 Cds-CsH_Cds-CsH CsJ-CbCsCs 300-1500 1.94E+02 2.41 0 9.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -229 Cds-CsH_Cds-CsH CsJ-CtHH 300-1500 4.56E+03 2.41 0 10.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -230 Cds-CsH_Cds-CsH CsJ-CtCsH 300-1500 1.03E+03 2.41 0 10.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -231 Cds-CsH_Cds-CsH CsJ-CtCsCs 300-1500 2.62E+02 2.41 0 9.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -232 Cds-CsH_Cds-CsH CdsJ-H 300-1500 6.90E+03 2.41 0 2.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -233 Cds-CsH_Cds-CsH CdsJ-Cs 300-1500 3.66E+03 2.41 0 2.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -234 Cds-CsH_Cds-CsH CbJ 300-1500 1.09E+04 2.41 0 0.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -235 Cds-CsH_Cds-CsCs CsJ-HHH 300-1500 1.27E+04 2.41 0 6.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -236 Cds-CsH_Cds-CsCs CsJ-CsHH 300-1500 1.29E+03 2.41 0 5.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -237 Cds-CsH_Cds-CsCs CsJ-CsCsH 300-1500 1.03E+03 2.41 0 4.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -238 Cds-CsH_Cds-CsCs CsJ-CsCsCs 300-1500 7.65E+02 2.41 0 3.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -239 Cds-CsH_Cds-CsCs CsJ-CdHH 300-1500 1.34E+04 2.41 0 12.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -240 Cds-CsH_Cds-CsCs CsJ-CdCsH 300-1500 2.33E+03 2.41 0 12.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -241 Cds-CsH_Cds-CsCs CsJ-CdCsCs 300-1500 3.01E+02 2.41 0 11.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -242 Cds-CsH_Cds-CsCs CsJ-CdCdH 300-1500 4.70E+03 2.41 0 17.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -243 Cds-CsH_Cds-CsCs CsJ-CdCdCs 300-1500 1.60E+03 2.41 0 17.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -244 Cds-CsH_Cds-CsCs CsJ-CbHH 300-1500 6.21E+03 2.41 0 10.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -245 Cds-CsH_Cds-CsCs CsJ-CbCsH 300-1500 1.53E+03 2.41 0 9.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -246 Cds-CsH_Cds-CsCs CsJ-CbCsCs 300-1500 2.44E+02 2.41 0 9.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -247 Cds-CsH_Cds-CsCs CsJ-CtHH 300-1500 5.74E+03 2.41 0 10.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -248 Cds-CsH_Cds-CsCs CsJ-CtCsH 300-1500 1.29E+03 2.41 0 9.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -249 Cds-CsH_Cds-CsCs CsJ-CtCsCs 300-1500 3.30E+02 2.41 0 8.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -250 Cds-CsH_Cds-CsCs CdsJ-H 300-1500 8.68E+03 2.41 0 2.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -251 Cds-CsH_Cds-CsCs CdsJ-Cs 300-1500 4.60E+03 2.41 0 2.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -252 Cds-CsH_Cds-CsCs CbJ 300-1500 1.37E+04 2.41 0 0.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -253 Cds-CsH_Cds-CdH CsJ-HHH 300-1500 1.13E+04 2.41 0 4.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -254 Cds-CsH_Cds-CdH CsJ-CsHH 300-1500 1.15E+03 2.41 0 3.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -255 Cds-CsH_Cds-CdH CsJ-CsCsH 300-1500 9.22E+02 2.41 0 2.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -256 Cds-CsH_Cds-CdH CsJ-CsCsCs 300-1500 6.83E+02 2.41 0 0.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -257 Cds-CsH_Cds-CdH CsJ-CdHH 300-1500 1.19E+04 2.41 0 10.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -258 Cds-CsH_Cds-CdH CsJ-CdCsH 300-1500 2.08E+03 2.41 0 10.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -259 Cds-CsH_Cds-CdH CsJ-CdCsCs 300-1500 2.69E+02 2.41 0 9.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -260 Cds-CsH_Cds-CdH CsJ-CdCdH 300-1500 4.19E+03 2.41 0 14.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -261 Cds-CsH_Cds-CdH CsJ-CdCdCs 300-1500 1.43E+03 2.41 0 14.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -262 Cds-CsH_Cds-CdH CsJ-CbHH 300-1500 5.54E+03 2.41 0 7.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -263 Cds-CsH_Cds-CdH CsJ-CbCsH 300-1500 1.36E+03 2.41 0 7.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -264 Cds-CsH_Cds-CdH CsJ-CbCsCs 300-1500 2.18E+02 2.41 0 6.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -265 Cds-CsH_Cds-CdH CsJ-CtHH 300-1500 5.12E+03 2.41 0 7.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -266 Cds-CsH_Cds-CdH CsJ-CtCsH 300-1500 1.15E+03 2.41 0 7.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -267 Cds-CsH_Cds-CdH CsJ-CtCsCs 300-1500 2.95E+02 2.41 0 6.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -268 Cds-CsH_Cds-CdH CdsJ-H 300-1500 7.74E+03 2.41 0 0.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -269 Cds-CsH_Cds-CdH CdsJ-Cs 300-1500 4.11E+03 2.41 0 -0.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -270 Cds-CsH_Cds-CdH CbJ 300-1500 1.22E+04 2.41 0 -2.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -271 Cds-CsH_Cds-CdCs CsJ-HHH 300-1500 1.28E+04 2.41 0 3.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -272 Cds-CsH_Cds-CdCs CsJ-CsHH 300-1500 1.30E+03 2.41 0 3.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -273 Cds-CsH_Cds-CdCs CsJ-CsCsH 300-1500 1.05E+03 2.41 0 1.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -274 Cds-CsH_Cds-CdCs CsJ-CsCsCs 300-1500 7.75E+02 2.41 0 0.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -275 Cds-CsH_Cds-CdCs CsJ-CdHH 300-1500 1.36E+04 2.41 0 9.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -276 Cds-CsH_Cds-CdCs CsJ-CdCsH 300-1500 2.36E+03 2.41 0 9.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -277 Cds-CsH_Cds-CdCs CsJ-CdCsCs 300-1500 3.05E+02 2.41 0 8.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -278 Cds-CsH_Cds-CdCs CsJ-CdCdH 300-1500 4.76E+03 2.41 0 14.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -279 Cds-CsH_Cds-CdCs CsJ-CdCdCs 300-1500 1.63E+03 2.41 0 14.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -280 Cds-CsH_Cds-CdCs CsJ-CbHH 300-1500 6.29E+03 2.41 0 7.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -281 Cds-CsH_Cds-CdCs CsJ-CbCsH 300-1500 1.55E+03 2.41 0 6.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -282 Cds-CsH_Cds-CdCs CsJ-CbCsCs 300-1500 2.47E+02 2.41 0 6.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -283 Cds-CsH_Cds-CdCs CsJ-CtHH 300-1500 5.81E+03 2.41 0 7.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -284 Cds-CsH_Cds-CdCs CsJ-CtCsH 300-1500 1.31E+03 2.41 0 6.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -285 Cds-CsH_Cds-CdCs CsJ-CtCsCs 300-1500 3.34E+02 2.41 0 6.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -286 Cds-CsH_Cds-CdCs CdsJ-H 300-1500 8.79E+03 2.41 0 -0.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -287 Cds-CsH_Cds-CdCs CdsJ-Cs 300-1500 4.66E+03 2.41 0 -0.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -288 Cds-CsH_Cds-CdCs CbJ 300-1500 1.39E+04 2.41 0 -2.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -289 Cds-CsH_Cds-CdCd CsJ-HHH 300-1500 3.91E+04 2.41 0 2.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -290 Cds-CsH_Cds-CdCd CsJ-CsHH 300-1500 3.98E+03 2.41 0 2.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -291 Cds-CsH_Cds-CdCd CsJ-CsCsH 300-1500 3.19E+03 2.41 0 0.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -292 Cds-CsH_Cds-CdCd CsJ-CsCsCs 300-1500 2.36E+03 2.41 0 -0.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -293 Cds-CsH_Cds-CdCd CsJ-CdHH 300-1500 4.13E+04 2.41 0 8.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -294 Cds-CsH_Cds-CdCd CsJ-CdCsH 300-1500 7.20E+03 2.41 0 8.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -295 Cds-CsH_Cds-CdCd CsJ-CdCsCs 300-1500 9.31E+02 2.41 0 7.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -296 Cds-CsH_Cds-CdCd CsJ-CdCdH 300-1500 1.45E+04 2.41 0 13.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -297 Cds-CsH_Cds-CdCd CsJ-CdCdCs 300-1500 4.95E+03 2.41 0 13.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -298 Cds-CsH_Cds-CdCd CsJ-CbHH 300-1500 1.92E+04 2.41 0 6.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -299 Cds-CsH_Cds-CdCd CsJ-CbCsH 300-1500 4.71E+03 2.41 0 5.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -300 Cds-CsH_Cds-CdCd CsJ-CbCsCs 300-1500 7.54E+02 2.41 0 5.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -301 Cds-CsH_Cds-CdCd CsJ-CtHH 300-1500 1.77E+04 2.41 0 6.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -302 Cds-CsH_Cds-CdCd CsJ-CtCsH 300-1500 3.99E+03 2.41 0 5.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -303 Cds-CsH_Cds-CdCd CsJ-CtCsCs 300-1500 1.02E+03 2.41 0 5.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -304 Cds-CsH_Cds-CdCd CdsJ-H 300-1500 2.68E+04 2.41 0 -1.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -305 Cds-CsH_Cds-CdCd CdsJ-Cs 300-1500 1.42E+04 2.41 0 -1.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -306 Cds-CsH_Cds-CdCd CbJ 300-1500 4.23E+04 2.41 0 -3.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -307 Cds-CsH_Cds-CbH CsJ-HHH 300-1500 3.69E+03 2.41 0 5.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -308 Cds-CsH_Cds-CbH CsJ-CsHH 300-1500 3.75E+02 2.41 0 5.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -309 Cds-CsH_Cds-CbH CsJ-CsCsH 300-1500 3.01E+02 2.41 0 3.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -310 Cds-CsH_Cds-CbH CsJ-CsCsCs 300-1500 2.23E+02 2.41 0 2.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -311 Cds-CsH_Cds-CbH CsJ-CdHH 300-1500 3.90E+03 2.41 0 12.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -312 Cds-CsH_Cds-CbH CsJ-CdCsH 300-1500 6.79E+02 2.41 0 11.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -313 Cds-CsH_Cds-CbH CsJ-CdCsCs 300-1500 8.78E+01 2.41 0 10.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -314 Cds-CsH_Cds-CbH CsJ-CdCdH 300-1500 1.37E+03 2.41 0 16.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -315 Cds-CsH_Cds-CbH CsJ-CdCdCs 300-1500 4.67E+02 2.41 0 16.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -316 Cds-CsH_Cds-CbH CsJ-CbHH 300-1500 1.81E+03 2.41 0 9.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -317 Cds-CsH_Cds-CbH CsJ-CbCsH 300-1500 4.45E+02 2.41 0 9.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -318 Cds-CsH_Cds-CbH CsJ-CbCsCs 300-1500 7.11E+01 2.41 0 8.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -319 Cds-CsH_Cds-CbH CsJ-CtHH 300-1500 1.67E+03 2.41 0 9.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -320 Cds-CsH_Cds-CbH CsJ-CtCsH 300-1500 3.77E+02 2.41 0 9.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -321 Cds-CsH_Cds-CbH CsJ-CtCsCs 300-1500 9.61E+01 2.41 0 8.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -322 Cds-CsH_Cds-CbH CdsJ-H 300-1500 2.53E+03 2.41 0 1.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -323 Cds-CsH_Cds-CbH CdsJ-Cs 300-1500 1.34E+03 2.41 0 1.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -324 Cds-CsH_Cds-CbH CbJ 300-1500 3.99E+03 2.41 0 -0.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -325 Cds-CsH_Cds-CbCs CsJ-HHH 300-1500 7.84E+03 2.41 0 5.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -326 Cds-CsH_Cds-CbCs CsJ-CsHH 300-1500 7.96E+02 2.41 0 5.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -327 Cds-CsH_Cds-CbCs CsJ-CsCsH 300-1500 6.38E+02 2.41 0 3.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -328 Cds-CsH_Cds-CbCs CsJ-CsCsCs 300-1500 4.73E+02 2.41 0 2.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -329 Cds-CsH_Cds-CbCs CsJ-CdHH 300-1500 8.27E+03 2.41 0 11.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -330 Cds-CsH_Cds-CbCs CsJ-CdCsH 300-1500 1.44E+03 2.41 0 11.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -331 Cds-CsH_Cds-CbCs CsJ-CdCsCs 300-1500 1.86E+02 2.41 0 10.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -332 Cds-CsH_Cds-CbCs CsJ-CdCdH 300-1500 2.90E+03 2.41 0 16.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -333 Cds-CsH_Cds-CbCs CsJ-CdCdCs 300-1500 9.91E+02 2.41 0 16.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -334 Cds-CsH_Cds-CbCs CsJ-CbHH 300-1500 3.83E+03 2.41 0 9.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -335 Cds-CsH_Cds-CbCs CsJ-CbCsH 300-1500 9.43E+02 2.41 0 8.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -336 Cds-CsH_Cds-CbCs CsJ-CbCsCs 300-1500 1.51E+02 2.41 0 8.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -337 Cds-CsH_Cds-CbCs CsJ-CtHH 300-1500 3.54E+03 2.41 0 9.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -338 Cds-CsH_Cds-CbCs CsJ-CtCsH 300-1500 7.99E+02 2.41 0 8.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -339 Cds-CsH_Cds-CbCs CsJ-CtCsCs 300-1500 2.04E+02 2.41 0 8.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -340 Cds-CsH_Cds-CbCs CdsJ-H 300-1500 5.36E+03 2.41 0 1.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -341 Cds-CsH_Cds-CbCs CdsJ-Cs 300-1500 2.84E+03 2.41 0 1.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -342 Cds-CsH_Cds-CbCs CbJ 300-1500 8.47E+03 2.41 0 -0.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -343 Cds-CsH_Cds-CtH CsJ-HHH 300-1500 1.47E+04 2.41 0 3.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -344 Cds-CsH_Cds-CtH CsJ-CsHH 300-1500 1.49E+03 2.41 0 3.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -345 Cds-CsH_Cds-CtH CsJ-CsCsH 300-1500 1.20E+03 2.41 0 2.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -346 Cds-CsH_Cds-CtH CsJ-CsCsCs 300-1500 8.85E+02 2.41 0 0.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -347 Cds-CsH_Cds-CtH CsJ-CdHH 300-1500 1.55E+04 2.41 0 10.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -348 Cds-CsH_Cds-CtH CsJ-CdCsH 300-1500 2.70E+03 2.41 0 9.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -349 Cds-CsH_Cds-CtH CsJ-CdCsCs 300-1500 3.49E+02 2.41 0 8.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -350 Cds-CsH_Cds-CtH CsJ-CdCdH 300-1500 5.44E+03 2.41 0 14.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -351 Cds-CsH_Cds-CtH CsJ-CdCdCs 300-1500 1.86E+03 2.41 0 14.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -352 Cds-CsH_Cds-CtH CsJ-CbHH 300-1500 7.18E+03 2.41 0 7.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -353 Cds-CsH_Cds-CtH CsJ-CbCsH 300-1500 1.77E+03 2.41 0 7.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -354 Cds-CsH_Cds-CtH CsJ-CbCsCs 300-1500 2.83E+02 2.41 0 6.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -355 Cds-CsH_Cds-CtH CsJ-CtHH 300-1500 6.64E+03 2.41 0 7.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -356 Cds-CsH_Cds-CtH CsJ-CtCsH 300-1500 1.50E+03 2.41 0 7.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -357 Cds-CsH_Cds-CtH CsJ-CtCsCs 300-1500 3.82E+02 2.41 0 6.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -358 Cds-CsH_Cds-CtH CdsJ-H 300-1500 1.00E+04 2.41 0 0.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -359 Cds-CsH_Cds-CtH CdsJ-Cs 300-1500 5.32E+03 2.41 0 -0.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -360 Cds-CsH_Cds-CtH CbJ 300-1500 1.59E+04 2.41 0 -2.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -361 Cds-CsH_Cds-CtCs CsJ-HHH 300-1500 1.50E+04 2.41 0 3.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -362 Cds-CsH_Cds-CtCs CsJ-CsHH 300-1500 1.53E+03 2.41 0 3.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -363 Cds-CsH_Cds-CtCs CsJ-CsCsH 300-1500 1.22E+03 2.41 0 2.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -364 Cds-CsH_Cds-CtCs CsJ-CsCsCs 300-1500 9.06E+02 2.41 0 0.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -365 Cds-CsH_Cds-CtCs CsJ-CdHH 300-1500 1.59E+04 2.41 0 10.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -366 Cds-CsH_Cds-CtCs CsJ-CdCsH 300-1500 2.76E+03 2.41 0 9.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -367 Cds-CsH_Cds-CtCs CsJ-CdCsCs 300-1500 3.57E+02 2.41 0 8.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -368 Cds-CsH_Cds-CtCs CsJ-CdCdH 300-1500 5.57E+03 2.41 0 14.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -369 Cds-CsH_Cds-CtCs CsJ-CdCdCs 300-1500 1.90E+03 2.41 0 14.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -370 Cds-CsH_Cds-CtCs CsJ-CbHH 300-1500 7.35E+03 2.41 0 7.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -371 Cds-CsH_Cds-CtCs CsJ-CbCsH 300-1500 1.81E+03 2.41 0 7.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -372 Cds-CsH_Cds-CtCs CsJ-CbCsCs 300-1500 2.89E+02 2.41 0 6.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -373 Cds-CsH_Cds-CtCs CsJ-CtHH 300-1500 6.79E+03 2.41 0 7.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -374 Cds-CsH_Cds-CtCs CsJ-CtCsH 300-1500 1.53E+03 2.41 0 7.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -375 Cds-CsH_Cds-CtCs CsJ-CtCsCs 300-1500 3.91E+02 2.41 0 6.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -376 Cds-CsH_Cds-CtCs CdsJ-H 300-1500 1.03E+04 2.41 0 -0.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -377 Cds-CsH_Cds-CtCs CdsJ-Cs 300-1500 5.45E+03 2.41 0 -0.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -378 Cds-CsH_Cds-CtCs CbJ 300-1500 1.62E+04 2.41 0 -2.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -379 Cds-CsH_Ca CsJ-HHH 300-1500 1.08E+04 2.41 0 7.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -380 Cds-CsH_Ca CsJ-CsHH 300-1500 1.10E+03 2.41 0 7.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -381 Cds-CsH_Ca CsJ-CsCsH 300-1500 8.83E+02 2.41 0 5.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -382 Cds-CsH_Ca CsJ-CsCsCs 300-1500 6.54E+02 2.41 0 4.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -383 Cds-CsH_Ca CsJ-CdHH 300-1500 1.14E+04 2.41 0 13.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -384 Cds-CsH_Ca CsJ-CdCsH 300-1500 1.99E+03 2.41 0 13.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -385 Cds-CsH_Ca CsJ-CdCsCs 300-1500 2.58E+02 2.41 0 12.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -386 Cds-CsH_Ca CsJ-CdCdH 300-1500 4.02E+03 2.41 0 18.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -387 Cds-CsH_Ca CsJ-CdCdCs 300-1500 1.37E+03 2.41 0 18.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -388 Cds-CsH_Ca CsJ-CbHH 300-1500 5.30E+03 2.41 0 11.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -389 Cds-CsH_Ca CsJ-CbCsH 300-1500 1.30E+03 2.41 0 10.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -390 Cds-CsH_Ca CsJ-CbCsCs 300-1500 2.09E+02 2.41 0 10.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -391 Cds-CsH_Ca CsJ-CtHH 300-1500 4.90E+03 2.41 0 11.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -392 Cds-CsH_Ca CsJ-CtCsH 300-1500 1.11E+03 2.41 0 10.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -393 Cds-CsH_Ca CsJ-CtCsCs 300-1500 2.82E+02 2.41 0 10.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -394 Cds-CsH_Ca CdsJ-H 300-1500 7.42E+03 2.41 0 3.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -395 Cds-CsH_Ca CdsJ-Cs 300-1500 3.93E+03 2.41 0 3.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -396 Cds-CsH_Ca CbJ 300-1500 1.17E+04 2.41 0 1.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -397 Cds-CsCs_Cds-HH CsJ-HHH 300-1500 6.24E+03 2.41 0 8.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -398 Cds-CsCs_Cds-HH CsJ-CsHH 300-1500 6.34E+02 2.41 0 7.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -399 Cds-CsCs_Cds-HH CsJ-CsCsH 300-1500 5.08E+02 2.41 0 6.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -400 Cds-CsCs_Cds-HH CsJ-CsCsCs 300-1500 3.76E+02 2.41 0 4.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -401 Cds-CsCs_Cds-HH CsJ-CdHH 300-1500 6.58E+03 2.41 0 14.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -402 Cds-CsCs_Cds-HH CsJ-CdCsH 300-1500 1.15E+03 2.41 0 14.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -403 Cds-CsCs_Cds-HH CsJ-CdCsCs 300-1500 1.48E+02 2.41 0 13.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -404 Cds-CsCs_Cds-HH CsJ-CdCdH 300-1500 2.31E+03 2.41 0 18.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -405 Cds-CsCs_Cds-HH CsJ-CdCdCs 300-1500 7.89E+02 2.41 0 18.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -406 Cds-CsCs_Cds-HH CsJ-CbHH 300-1500 3.05E+03 2.41 0 12.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -407 Cds-CsCs_Cds-HH CsJ-CbCsH 300-1500 7.51E+02 2.41 0 11.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -408 Cds-CsCs_Cds-HH CsJ-CbCsCs 300-1500 1.20E+02 2.41 0 10.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -409 Cds-CsCs_Cds-HH CsJ-CtHH 300-1500 2.82E+03 2.41 0 11.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -410 Cds-CsCs_Cds-HH CsJ-CtCsH 300-1500 6.36E+02 2.41 0 11.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -411 Cds-CsCs_Cds-HH CsJ-CtCsCs 300-1500 1.62E+02 2.41 0 10.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -412 Cds-CsCs_Cds-HH CdsJ-H 300-1500 4.27E+03 2.41 0 4.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -413 Cds-CsCs_Cds-HH CdsJ-Cs 300-1500 2.26E+03 2.41 0 4.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -414 Cds-CsCs_Cds-HH CbJ 300-1500 6.74E+03 2.41 0 1.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -415 Cds-CsCs_Cds-CsH CsJ-HHH 300-1500 6.26E+03 2.41 0 7.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -416 Cds-CsCs_Cds-CsH CsJ-CsHH 300-1500 6.36E+02 2.41 0 7.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -417 Cds-CsCs_Cds-CsH CsJ-CsCsH 300-1500 5.10E+02 2.41 0 5.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -418 Cds-CsCs_Cds-CsH CsJ-CsCsCs 300-1500 3.78E+02 2.41 0 4.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -419 Cds-CsCs_Cds-CsH CsJ-CdHH 300-1500 6.61E+03 2.41 0 14.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -420 Cds-CsCs_Cds-CsH CsJ-CdCsH 300-1500 1.15E+03 2.41 0 13.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -421 Cds-CsCs_Cds-CsH CsJ-CdCsCs 300-1500 1.49E+02 2.41 0 12.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -422 Cds-CsCs_Cds-CsH CsJ-CdCdH 300-1500 2.32E+03 2.41 0 18.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -423 Cds-CsCs_Cds-CsH CsJ-CdCdCs 300-1500 7.93E+02 2.41 0 18.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -424 Cds-CsCs_Cds-CsH CsJ-CbHH 300-1500 3.07E+03 2.41 0 11.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -425 Cds-CsCs_Cds-CsH CsJ-CbCsH 300-1500 7.54E+02 2.41 0 10.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -426 Cds-CsCs_Cds-CsH CsJ-CbCsCs 300-1500 1.21E+02 2.41 0 10.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -427 Cds-CsCs_Cds-CsH CsJ-CtHH 300-1500 2.83E+03 2.41 0 11.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -428 Cds-CsCs_Cds-CsH CsJ-CtCsH 300-1500 6.39E+02 2.41 0 10.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -429 Cds-CsCs_Cds-CsH CsJ-CtCsCs 300-1500 1.63E+02 2.41 0 10.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -430 Cds-CsCs_Cds-CsH CdsJ-H 300-1500 4.29E+03 2.41 0 3.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -431 Cds-CsCs_Cds-CsH CdsJ-Cs 300-1500 2.27E+03 2.41 0 3.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -432 Cds-CsCs_Cds-CsH CbJ 300-1500 6.77E+03 2.41 0 1.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -433 Cds-CsCs_Cds-CsCs CsJ-HHH 300-1500 7.88E+03 2.41 0 7.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -434 Cds-CsCs_Cds-CsCs CsJ-CsHH 300-1500 8.01E+02 2.41 0 6.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -435 Cds-CsCs_Cds-CsCs CsJ-CsCsH 300-1500 6.42E+02 2.41 0 5.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -436 Cds-CsCs_Cds-CsCs CsJ-CsCsCs 300-1500 4.76E+02 2.41 0 4.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -437 Cds-CsCs_Cds-CsCs CsJ-CdHH 300-1500 8.32E+03 2.41 0 13.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -438 Cds-CsCs_Cds-CsCs CsJ-CdCsH 300-1500 1.45E+03 2.41 0 13.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -439 Cds-CsCs_Cds-CsCs CsJ-CdCsCs 300-1500 1.87E+02 2.41 0 12.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -440 Cds-CsCs_Cds-CsCs CsJ-CdCdH 300-1500 2.92E+03 2.41 0 18.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -441 Cds-CsCs_Cds-CsCs CsJ-CdCdCs 300-1500 9.97E+02 2.41 0 17.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -442 Cds-CsCs_Cds-CsCs CsJ-CbHH 300-1500 3.86E+03 2.41 0 11.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -443 Cds-CsCs_Cds-CsCs CsJ-CbCsH 300-1500 9.49E+02 2.41 0 10.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -444 Cds-CsCs_Cds-CsCs CsJ-CbCsCs 300-1500 1.52E+02 2.41 0 10.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -445 Cds-CsCs_Cds-CsCs CsJ-CtHH 300-1500 3.57E+03 2.41 0 11.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -446 Cds-CsCs_Cds-CsCs CsJ-CtCsH 300-1500 8.04E+02 2.41 0 10.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -447 Cds-CsCs_Cds-CsCs CsJ-CtCsCs 300-1500 2.05E+02 2.41 0 9.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -448 Cds-CsCs_Cds-CsCs CdsJ-H 300-1500 5.39E+03 2.41 0 3.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -449 Cds-CsCs_Cds-CsCs CdsJ-Cs 300-1500 2.86E+03 2.41 0 3.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -450 Cds-CsCs_Cds-CsCs CbJ 300-1500 8.52E+03 2.41 0 1.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -451 Cds-CsCs_Cds-CdH CsJ-HHH 300-1500 7.03E+03 2.41 0 4.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -452 Cds-CsCs_Cds-CdH CsJ-CsHH 300-1500 7.14E+02 2.41 0 4.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -453 Cds-CsCs_Cds-CdH CsJ-CsCsH 300-1500 5.73E+02 2.41 0 3.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -454 Cds-CsCs_Cds-CdH CsJ-CsCsCs 300-1500 4.25E+02 2.41 0 1.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -455 Cds-CsCs_Cds-CdH CsJ-CdHH 300-1500 7.42E+03 2.41 0 11.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -456 Cds-CsCs_Cds-CdH CsJ-CdCsH 300-1500 1.29E+03 2.41 0 10.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -457 Cds-CsCs_Cds-CdH CsJ-CdCsCs 300-1500 1.67E+02 2.41 0 10.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -458 Cds-CsCs_Cds-CdH CsJ-CdCdH 300-1500 2.61E+03 2.41 0 15.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -459 Cds-CsCs_Cds-CdH CsJ-CdCdCs 300-1500 8.90E+02 2.41 0 15.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -460 Cds-CsCs_Cds-CdH CsJ-CbHH 300-1500 3.44E+03 2.41 0 8.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -461 Cds-CsCs_Cds-CdH CsJ-CbCsH 300-1500 8.47E+02 2.41 0 8.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -462 Cds-CsCs_Cds-CdH CsJ-CbCsCs 300-1500 1.35E+02 2.41 0 7.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -463 Cds-CsCs_Cds-CdH CsJ-CtHH 300-1500 3.18E+03 2.41 0 8.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -464 Cds-CsCs_Cds-CdH CsJ-CtCsH 300-1500 7.17E+02 2.41 0 8.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -465 Cds-CsCs_Cds-CdH CsJ-CtCsCs 300-1500 1.83E+02 2.41 0 7.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -466 Cds-CsCs_Cds-CdH CdsJ-H 300-1500 4.81E+03 2.41 0 1.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -467 Cds-CsCs_Cds-CdH CdsJ-Cs 300-1500 2.55E+03 2.41 0 0.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -468 Cds-CsCs_Cds-CdH CbJ 300-1500 7.60E+03 2.41 0 -1.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -469 Cds-CsCs_Cds-CdCs CsJ-HHH 300-1500 7.98E+03 2.41 0 4.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -470 Cds-CsCs_Cds-CdCs CsJ-CsHH 300-1500 8.11E+02 2.41 0 3.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -471 Cds-CsCs_Cds-CdCs CsJ-CsCsH 300-1500 6.50E+02 2.41 0 2.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -472 Cds-CsCs_Cds-CdCs CsJ-CsCsCs 300-1500 4.82E+02 2.41 0 1.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -473 Cds-CsCs_Cds-CdCs CsJ-CdHH 300-1500 8.43E+03 2.41 0 10.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -474 Cds-CsCs_Cds-CdCs CsJ-CdCsH 300-1500 1.47E+03 2.41 0 10.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -475 Cds-CsCs_Cds-CdCs CsJ-CdCsCs 300-1500 1.90E+02 2.41 0 9.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -476 Cds-CsCs_Cds-CdCs CsJ-CdCdH 300-1500 2.96E+03 2.41 0 15.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -477 Cds-CsCs_Cds-CdCs CsJ-CdCdCs 300-1500 1.01E+03 2.41 0 15.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -478 Cds-CsCs_Cds-CdCs CsJ-CbHH 300-1500 3.91E+03 2.41 0 8.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -479 Cds-CsCs_Cds-CdCs CsJ-CbCsH 300-1500 9.61E+02 2.41 0 7.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -480 Cds-CsCs_Cds-CdCs CsJ-CbCsCs 300-1500 1.54E+02 2.41 0 7.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -481 Cds-CsCs_Cds-CdCs CsJ-CtHH 300-1500 3.61E+03 2.41 0 8.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -482 Cds-CsCs_Cds-CdCs CsJ-CtCsH 300-1500 8.14E+02 2.41 0 7.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -483 Cds-CsCs_Cds-CdCs CsJ-CtCsCs 300-1500 2.08E+02 2.41 0 7.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -484 Cds-CsCs_Cds-CdCs CdsJ-H 300-1500 5.46E+03 2.41 0 0.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -485 Cds-CsCs_Cds-CdCs CdsJ-Cs 300-1500 2.90E+03 2.41 0 0.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -486 Cds-CsCs_Cds-CdCs CbJ 300-1500 8.63E+03 2.41 0 -1.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -487 Cds-CsCs_Cds-CdCd CsJ-HHH 300-1500 2.43E+04 2.41 0 3.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -488 Cds-CsCs_Cds-CdCd CsJ-CsHH 300-1500 2.47E+03 2.41 0 3.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -489 Cds-CsCs_Cds-CdCd CsJ-CsCsH 300-1500 1.98E+03 2.41 0 1.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -490 Cds-CsCs_Cds-CdCd CsJ-CsCsCs 300-1500 1.47E+03 2.41 0 0.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -491 Cds-CsCs_Cds-CdCd CsJ-CdHH 300-1500 2.57E+04 2.41 0 9.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -492 Cds-CsCs_Cds-CdCd CsJ-CdCsH 300-1500 4.47E+03 2.41 0 9.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -493 Cds-CsCs_Cds-CdCd CsJ-CdCsCs 300-1500 5.78E+02 2.41 0 8.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -494 Cds-CsCs_Cds-CdCd CsJ-CdCdH 300-1500 9.02E+03 2.41 0 14.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -495 Cds-CsCs_Cds-CdCd CsJ-CdCdCs 300-1500 3.08E+03 2.41 0 14.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -496 Cds-CsCs_Cds-CdCd CsJ-CbHH 300-1500 1.19E+04 2.41 0 7.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -497 Cds-CsCs_Cds-CdCd CsJ-CbCsH 300-1500 2.93E+03 2.41 0 6.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -498 Cds-CsCs_Cds-CdCd CsJ-CbCsCs 300-1500 4.68E+02 2.41 0 6.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -499 Cds-CsCs_Cds-CdCd CsJ-CtHH 300-1500 1.10E+04 2.41 0 7.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -500 Cds-CsCs_Cds-CdCd CsJ-CtCsH 300-1500 2.48E+03 2.41 0 6.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -501 Cds-CsCs_Cds-CdCd CsJ-CtCsCs 300-1500 6.33E+02 2.41 0 6.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -502 Cds-CsCs_Cds-CdCd CdsJ-H 300-1500 1.66E+04 2.41 0 -0.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -503 Cds-CsCs_Cds-CdCd CdsJ-Cs 300-1500 8.83E+03 2.41 0 -0.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -504 Cds-CsCs_Cds-CdCd CbJ 300-1500 2.63E+04 2.41 0 -2.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -505 Cds-CsCs_Cds-CbH CsJ-HHH 300-1500 2.30E+03 2.41 0 6.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -506 Cds-CsCs_Cds-CbH CsJ-CsHH 300-1500 2.33E+02 2.41 0 6.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -507 Cds-CsCs_Cds-CbH CsJ-CsCsH 300-1500 1.87E+02 2.41 0 4.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -508 Cds-CsCs_Cds-CbH CsJ-CsCsCs 300-1500 1.39E+02 2.41 0 3.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -509 Cds-CsCs_Cds-CbH CsJ-CdHH 300-1500 2.42E+03 2.41 0 12.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -510 Cds-CsCs_Cds-CbH CsJ-CdCsH 300-1500 4.22E+02 2.41 0 12.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -511 Cds-CsCs_Cds-CbH CsJ-CdCsCs 300-1500 5.46E+01 2.41 0 11.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -512 Cds-CsCs_Cds-CbH CsJ-CdCdH 300-1500 8.51E+02 2.41 0 17.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -513 Cds-CsCs_Cds-CbH CsJ-CdCdCs 300-1500 2.91E+02 2.41 0 17.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -514 Cds-CsCs_Cds-CbH CsJ-CbHH 300-1500 1.12E+03 2.41 0 10.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -515 Cds-CsCs_Cds-CbH CsJ-CbCsH 300-1500 2.76E+02 2.41 0 9.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -516 Cds-CsCs_Cds-CbH CsJ-CbCsCs 300-1500 4.42E+01 2.41 0 9.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -517 Cds-CsCs_Cds-CbH CsJ-CtHH 300-1500 1.04E+03 2.41 0 10.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -518 Cds-CsCs_Cds-CbH CsJ-CtCsH 300-1500 2.34E+02 2.41 0 9.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -519 Cds-CsCs_Cds-CbH CsJ-CtCsCs 300-1500 5.97E+01 2.41 0 9.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -520 Cds-CsCs_Cds-CbH CdsJ-H 300-1500 1.57E+03 2.41 0 2.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -521 Cds-CsCs_Cds-CbH CdsJ-Cs 300-1500 8.33E+02 2.41 0 2.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -522 Cds-CsCs_Cds-CbH CbJ 300-1500 2.48E+03 2.41 0 0.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -523 Cds-CsCs_Cds-CbCs CsJ-HHH 300-1500 4.87E+03 2.41 0 6.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -524 Cds-CsCs_Cds-CbCs CsJ-CsHH 300-1500 4.95E+02 2.41 0 5.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -525 Cds-CsCs_Cds-CbCs CsJ-CsCsH 300-1500 3.97E+02 2.41 0 4.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -526 Cds-CsCs_Cds-CbCs CsJ-CsCsCs 300-1500 2.94E+02 2.41 0 3.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -527 Cds-CsCs_Cds-CbCs CsJ-CdHH 300-1500 5.14E+03 2.41 0 12.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -528 Cds-CsCs_Cds-CbCs CsJ-CdCsH 300-1500 8.95E+02 2.41 0 12.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -529 Cds-CsCs_Cds-CbCs CsJ-CdCsCs 300-1500 1.16E+02 2.41 0 11.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -530 Cds-CsCs_Cds-CbCs CsJ-CdCdH 300-1500 1.80E+03 2.41 0 17.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -531 Cds-CsCs_Cds-CbCs CsJ-CdCdCs 300-1500 6.16E+02 2.41 0 17.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -532 Cds-CsCs_Cds-CbCs CsJ-CbHH 300-1500 2.38E+03 2.41 0 10.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -533 Cds-CsCs_Cds-CbCs CsJ-CbCsH 300-1500 5.86E+02 2.41 0 9.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -534 Cds-CsCs_Cds-CbCs CsJ-CbCsCs 300-1500 9.38E+01 2.41 0 9.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -535 Cds-CsCs_Cds-CbCs CsJ-CtHH 300-1500 2.20E+03 2.41 0 10.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -536 Cds-CsCs_Cds-CbCs CsJ-CtCsH 300-1500 4.97E+02 2.41 0 9.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -537 Cds-CsCs_Cds-CbCs CsJ-CtCsCs 300-1500 1.27E+02 2.41 0 9.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -538 Cds-CsCs_Cds-CbCs CdsJ-H 300-1500 3.33E+03 2.41 0 2.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -539 Cds-CsCs_Cds-CbCs CdsJ-Cs 300-1500 1.77E+03 2.41 0 2.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -540 Cds-CsCs_Cds-CbCs CbJ 300-1500 5.26E+03 2.41 0 0.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -541 Cds-CsCs_Cds-CtH CsJ-HHH 300-1500 9.12E+03 2.41 0 4.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -542 Cds-CsCs_Cds-CtH CsJ-CsHH 300-1500 9.26E+02 2.41 0 4.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -543 Cds-CsCs_Cds-CtH CsJ-CsCsH 300-1500 7.43E+02 2.41 0 3.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -544 Cds-CsCs_Cds-CtH CsJ-CsCsCs 300-1500 5.50E+02 2.41 0 1.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -545 Cds-CsCs_Cds-CtH CsJ-CdHH 300-1500 9.62E+03 2.41 0 11.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -546 Cds-CsCs_Cds-CtH CsJ-CdCsH 300-1500 1.68E+03 2.41 0 10.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -547 Cds-CsCs_Cds-CtH CsJ-CdCsCs 300-1500 2.17E+02 2.41 0 9.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -548 Cds-CsCs_Cds-CtH CsJ-CdCdH 300-1500 3.38E+03 2.41 0 15.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -549 Cds-CsCs_Cds-CtH CsJ-CdCdCs 300-1500 1.15E+03 2.41 0 15.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -550 Cds-CsCs_Cds-CtH CsJ-CbHH 300-1500 4.46E+03 2.41 0 8.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -551 Cds-CsCs_Cds-CtH CsJ-CbCsH 300-1500 1.10E+03 2.41 0 8.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -552 Cds-CsCs_Cds-CtH CsJ-CbCsCs 300-1500 1.76E+02 2.41 0 7.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -553 Cds-CsCs_Cds-CtH CsJ-CtHH 300-1500 4.12E+03 2.41 0 8.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -554 Cds-CsCs_Cds-CtH CsJ-CtCsH 300-1500 9.30E+02 2.41 0 8.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -555 Cds-CsCs_Cds-CtH CsJ-CtCsCs 300-1500 2.37E+02 2.41 0 7.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -556 Cds-CsCs_Cds-CtH CdsJ-H 300-1500 6.24E+03 2.41 0 0.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -557 Cds-CsCs_Cds-CtH CdsJ-Cs 300-1500 3.31E+03 2.41 0 0.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -558 Cds-CsCs_Cds-CtH CbJ 300-1500 9.86E+03 2.41 0 -1.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -559 Cds-CsCs_Cds-CtCs CsJ-HHH 300-1500 9.33E+03 2.41 0 4.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -560 Cds-CsCs_Cds-CtCs CsJ-CsHH 300-1500 9.48E+02 2.41 0 4.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -561 Cds-CsCs_Cds-CtCs CsJ-CsCsH 300-1500 7.61E+02 2.41 0 2.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -562 Cds-CsCs_Cds-CtCs CsJ-CsCsCs 300-1500 5.63E+02 2.41 0 1.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -563 Cds-CsCs_Cds-CtCs CsJ-CdHH 300-1500 9.85E+03 2.41 0 10.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -564 Cds-CsCs_Cds-CtCs CsJ-CdCsH 300-1500 1.72E+03 2.41 0 10.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -565 Cds-CsCs_Cds-CtCs CsJ-CdCsCs 300-1500 2.22E+02 2.41 0 9.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -566 Cds-CsCs_Cds-CtCs CsJ-CdCdH 300-1500 3.46E+03 2.41 0 15.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -567 Cds-CsCs_Cds-CtCs CsJ-CdCdCs 300-1500 1.18E+03 2.41 0 15.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -568 Cds-CsCs_Cds-CtCs CsJ-CbHH 300-1500 4.57E+03 2.41 0 8.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -569 Cds-CsCs_Cds-CtCs CsJ-CbCsH 300-1500 1.12E+03 2.41 0 7.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -570 Cds-CsCs_Cds-CtCs CsJ-CbCsCs 300-1500 1.80E+02 2.41 0 7.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -571 Cds-CsCs_Cds-CtCs CsJ-CtHH 300-1500 4.22E+03 2.41 0 8.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -572 Cds-CsCs_Cds-CtCs CsJ-CtCsH 300-1500 9.52E+02 2.41 0 7.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -573 Cds-CsCs_Cds-CtCs CsJ-CtCsCs 300-1500 2.43E+02 2.41 0 7.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -574 Cds-CsCs_Cds-CtCs CdsJ-H 300-1500 6.39E+03 2.41 0 0.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -575 Cds-CsCs_Cds-CtCs CdsJ-Cs 300-1500 3.39E+03 2.41 0 0.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -576 Cds-CsCs_Cds-CtCs CbJ 300-1500 1.01E+04 2.41 0 -1.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -577 Cds-CsCs_Ca CsJ-HHH 300-1500 6.74E+03 2.41 0 8.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -578 Cds-CsCs_Ca CsJ-CsHH 300-1500 6.84E+02 2.41 0 8.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -579 Cds-CsCs_Ca CsJ-CsCsH 300-1500 5.49E+02 2.41 0 6.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -580 Cds-CsCs_Ca CsJ-CsCsCs 300-1500 4.07E+02 2.41 0 5.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -581 Cds-CsCs_Ca CsJ-CdHH 300-1500 7.11E+03 2.41 0 14.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -582 Cds-CsCs_Ca CsJ-CdCsH 300-1500 1.24E+03 2.41 0 14.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -583 Cds-CsCs_Ca CsJ-CdCsCs 300-1500 1.60E+02 2.41 0 13.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -584 Cds-CsCs_Ca CsJ-CdCdH 300-1500 2.50E+03 2.41 0 19.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -585 Cds-CsCs_Ca CsJ-CdCdCs 300-1500 8.52E+02 2.41 0 19.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -586 Cds-CsCs_Ca CsJ-CbHH 300-1500 3.30E+03 2.41 0 12.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -587 Cds-CsCs_Ca CsJ-CbCsH 300-1500 8.11E+02 2.41 0 11.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -588 Cds-CsCs_Ca CsJ-CbCsCs 300-1500 1.30E+02 2.41 0 11.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -589 Cds-CsCs_Ca CsJ-CtHH 300-1500 3.05E+03 2.41 0 12.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -590 Cds-CsCs_Ca CsJ-CtCsH 300-1500 6.87E+02 2.41 0 11.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -591 Cds-CsCs_Ca CsJ-CtCsCs 300-1500 1.75E+02 2.41 0 11.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -592 Cds-CsCs_Ca CdsJ-H 300-1500 4.61E+03 2.41 0 4.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -593 Cds-CsCs_Ca CdsJ-Cs 300-1500 2.44E+03 2.41 0 4.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -594 Cds-CsCs_Ca CbJ 300-1500 7.28E+03 2.41 0 2.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -595 Cds-CdH_Cds-HH CsJ-HHH 300-1500 1.32E+04 2.41 0 7.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -596 Cds-CdH_Cds-HH CsJ-CsHH 300-1500 1.34E+03 2.41 0 6.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -597 Cds-CdH_Cds-HH CsJ-CsCsH 300-1500 1.08E+03 2.41 0 5.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -598 Cds-CdH_Cds-HH CsJ-CsCsCs 300-1500 7.98E+02 2.41 0 3.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -599 Cds-CdH_Cds-HH CsJ-CdHH 300-1500 1.40E+04 2.41 0 13.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -600 Cds-CdH_Cds-HH CsJ-CdCsH 300-1500 2.43E+03 2.41 0 13.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -601 Cds-CdH_Cds-HH CsJ-CdCsCs 300-1500 3.14E+02 2.41 0 12.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -602 Cds-CdH_Cds-HH CsJ-CdCdH 300-1500 4.90E+03 2.41 0 17.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -603 Cds-CdH_Cds-HH CsJ-CdCdCs 300-1500 1.67E+03 2.41 0 17.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -604 Cds-CdH_Cds-HH CsJ-CbHH 300-1500 6.47E+03 2.41 0 11.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -605 Cds-CdH_Cds-HH CsJ-CbCsH 300-1500 1.59E+03 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -606 Cds-CdH_Cds-HH CsJ-CbCsCs 300-1500 2.55E+02 2.41 0 9.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -607 Cds-CdH_Cds-HH CsJ-CtHH 300-1500 5.98E+03 2.41 0 10.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -608 Cds-CdH_Cds-HH CsJ-CtCsH 300-1500 1.35E+03 2.41 0 10.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -609 Cds-CdH_Cds-HH CsJ-CtCsCs 300-1500 3.44E+02 2.41 0 9.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -610 Cds-CdH_Cds-HH CdsJ-H 300-1500 9.05E+03 2.41 0 3.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -611 Cds-CdH_Cds-HH CdsJ-Cs 300-1500 4.80E+03 2.41 0 3.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -612 Cds-CdH_Cds-HH CbJ 300-1500 1.43E+04 2.41 0 0.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -613 Cds-CdH_Cds-CsH CsJ-HHH 300-1500 1.33E+04 2.41 0 6.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -614 Cds-CdH_Cds-CsH CsJ-CsHH 300-1500 1.35E+03 2.41 0 6.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -615 Cds-CdH_Cds-CsH CsJ-CsCsH 300-1500 1.08E+03 2.41 0 4.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -616 Cds-CdH_Cds-CsH CsJ-CsCsCs 300-1500 8.01E+02 2.41 0 3.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -617 Cds-CdH_Cds-CsH CsJ-CdHH 300-1500 1.40E+04 2.41 0 13.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -618 Cds-CdH_Cds-CsH CsJ-CdCsH 300-1500 2.44E+03 2.41 0 12.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -619 Cds-CdH_Cds-CsH CsJ-CdCsCs 300-1500 3.16E+02 2.41 0 11.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -620 Cds-CdH_Cds-CsH CsJ-CdCdH 300-1500 4.92E+03 2.41 0 17.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -621 Cds-CdH_Cds-CsH CsJ-CdCdCs 300-1500 1.68E+03 2.41 0 17.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -622 Cds-CdH_Cds-CsH CsJ-CbHH 300-1500 6.50E+03 2.41 0 10.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -623 Cds-CdH_Cds-CsH CsJ-CbCsH 300-1500 1.60E+03 2.41 0 10.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -624 Cds-CdH_Cds-CsH CsJ-CbCsCs 300-1500 2.56E+02 2.41 0 9.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -625 Cds-CdH_Cds-CsH CsJ-CtHH 300-1500 6.01E+03 2.41 0 10.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -626 Cds-CdH_Cds-CsH CsJ-CtCsH 300-1500 1.35E+03 2.41 0 10.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -627 Cds-CdH_Cds-CsH CsJ-CtCsCs 300-1500 3.46E+02 2.41 0 9.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -628 Cds-CdH_Cds-CsH CdsJ-H 300-1500 9.09E+03 2.41 0 2.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -629 Cds-CdH_Cds-CsH CdsJ-Cs 300-1500 4.82E+03 2.41 0 2.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -630 Cds-CdH_Cds-CsH CbJ 300-1500 1.44E+04 2.41 0 0.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -631 Cds-CdH_Cds-CsCs CsJ-HHH 300-1500 1.67E+04 2.41 0 6.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -632 Cds-CdH_Cds-CsCs CsJ-CsHH 300-1500 1.70E+03 2.41 0 5.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -633 Cds-CdH_Cds-CsCs CsJ-CsCsH 300-1500 1.36E+03 2.41 0 4.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -634 Cds-CdH_Cds-CsCs CsJ-CsCsCs 300-1500 1.01E+03 2.41 0 3.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -635 Cds-CdH_Cds-CsCs CsJ-CdHH 300-1500 1.76E+04 2.41 0 12.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -636 Cds-CdH_Cds-CsCs CsJ-CdCsH 300-1500 3.07E+03 2.41 0 12.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -637 Cds-CdH_Cds-CsCs CsJ-CdCsCs 300-1500 3.97E+02 2.41 0 11.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -638 Cds-CdH_Cds-CsCs CsJ-CdCdH 300-1500 6.19E+03 2.41 0 17.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -639 Cds-CdH_Cds-CsCs CsJ-CdCdCs 300-1500 2.11E+03 2.41 0 17.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -640 Cds-CdH_Cds-CsCs CsJ-CbHH 300-1500 8.18E+03 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -641 Cds-CdH_Cds-CsCs CsJ-CbCsH 300-1500 2.01E+03 2.41 0 9.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -642 Cds-CdH_Cds-CsCs CsJ-CbCsCs 300-1500 3.22E+02 2.41 0 9.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -643 Cds-CdH_Cds-CsCs CsJ-CtHH 300-1500 7.56E+03 2.41 0 10.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -644 Cds-CdH_Cds-CsCs CsJ-CtCsH 300-1500 1.70E+03 2.41 0 9.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -645 Cds-CdH_Cds-CsCs CsJ-CtCsCs 300-1500 4.35E+02 2.41 0 8.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -646 Cds-CdH_Cds-CsCs CdsJ-H 300-1500 1.14E+04 2.41 0 2.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -647 Cds-CdH_Cds-CsCs CdsJ-Cs 300-1500 6.06E+03 2.41 0 2.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -648 Cds-CdH_Cds-CsCs CbJ 300-1500 1.81E+04 2.41 0 0.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -649 Cds-CdH_Cds-CdH CsJ-HHH 300-1500 1.49E+04 2.41 0 3.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -650 Cds-CdH_Cds-CdH CsJ-CsHH 300-1500 1.51E+03 2.41 0 3.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -651 Cds-CdH_Cds-CdH CsJ-CsCsH 300-1500 1.21E+03 2.41 0 2.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -652 Cds-CdH_Cds-CdH CsJ-CsCsCs 300-1500 9.00E+02 2.41 0 0.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -653 Cds-CdH_Cds-CdH CsJ-CdHH 300-1500 1.57E+04 2.41 0 10.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -654 Cds-CdH_Cds-CdH CsJ-CdCsH 300-1500 2.74E+03 2.41 0 10.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -655 Cds-CdH_Cds-CdH CsJ-CdCsCs 300-1500 3.54E+02 2.41 0 9.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -656 Cds-CdH_Cds-CdH CsJ-CdCdH 300-1500 5.53E+03 2.41 0 14.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -657 Cds-CdH_Cds-CdH CsJ-CdCdCs 300-1500 1.89E+03 2.41 0 14.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -658 Cds-CdH_Cds-CdH CsJ-CbHH 300-1500 7.30E+03 2.41 0 7.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -659 Cds-CdH_Cds-CdH CsJ-CbCsH 300-1500 1.79E+03 2.41 0 7.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -660 Cds-CdH_Cds-CdH CsJ-CbCsCs 300-1500 2.87E+02 2.41 0 6.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -661 Cds-CdH_Cds-CdH CsJ-CtHH 300-1500 6.75E+03 2.41 0 7.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -662 Cds-CdH_Cds-CdH CsJ-CtCsH 300-1500 1.52E+03 2.41 0 7.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -663 Cds-CdH_Cds-CdH CsJ-CtCsCs 300-1500 3.88E+02 2.41 0 6.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -664 Cds-CdH_Cds-CdH CdsJ-H 300-1500 1.02E+04 2.41 0 0.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -665 Cds-CdH_Cds-CdH CdsJ-Cs 300-1500 5.41E+03 2.41 0 -0.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -666 Cds-CdH_Cds-CdH CbJ 300-1500 1.61E+04 2.41 0 -2.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -667 Cds-CdH_Cds-CdCs CsJ-HHH 300-1500 1.69E+04 2.41 0 3.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -668 Cds-CdH_Cds-CdCs CsJ-CsHH 300-1500 1.72E+03 2.41 0 2.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -669 Cds-CdH_Cds-CdCs CsJ-CsCsH 300-1500 1.38E+03 2.41 0 1.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -670 Cds-CdH_Cds-CdCs CsJ-CsCsCs 300-1500 1.02E+03 2.41 0 0.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -671 Cds-CdH_Cds-CdCs CsJ-CdHH 300-1500 1.79E+04 2.41 0 9.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -672 Cds-CdH_Cds-CdCs CsJ-CdCsH 300-1500 3.11E+03 2.41 0 9.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -673 Cds-CdH_Cds-CdCs CsJ-CdCsCs 300-1500 4.02E+02 2.41 0 8.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -674 Cds-CdH_Cds-CdCs CsJ-CdCdH 300-1500 6.27E+03 2.41 0 14.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -675 Cds-CdH_Cds-CdCs CsJ-CdCdCs 300-1500 2.14E+03 2.41 0 14.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -676 Cds-CdH_Cds-CdCs CsJ-CbHH 300-1500 8.28E+03 2.41 0 7.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -677 Cds-CdH_Cds-CdCs CsJ-CbCsH 300-1500 2.04E+03 2.41 0 6.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -678 Cds-CdH_Cds-CdCs CsJ-CbCsCs 300-1500 3.26E+02 2.41 0 6.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -679 Cds-CdH_Cds-CdCs CsJ-CtHH 300-1500 7.66E+03 2.41 0 7.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -680 Cds-CdH_Cds-CdCs CsJ-CtCsH 300-1500 1.73E+03 2.41 0 6.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -681 Cds-CdH_Cds-CdCs CsJ-CtCsCs 300-1500 4.40E+02 2.41 0 6.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -682 Cds-CdH_Cds-CdCs CdsJ-H 300-1500 1.16E+04 2.41 0 -0.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -683 Cds-CdH_Cds-CdCs CdsJ-Cs 300-1500 6.14E+03 2.41 0 -0.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -684 Cds-CdH_Cds-CdCs CbJ 300-1500 1.83E+04 2.41 0 -2.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -685 Cds-CdH_Cds-CdCd CsJ-HHH 300-1500 5.16E+04 2.41 0 2.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -686 Cds-CdH_Cds-CdCd CsJ-CsHH 300-1500 5.24E+03 2.41 0 2.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -687 Cds-CdH_Cds-CdCd CsJ-CsCsH 300-1500 4.20E+03 2.41 0 0.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -688 Cds-CdH_Cds-CdCd CsJ-CsCsCs 300-1500 3.11E+03 2.41 0 -0.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -689 Cds-CdH_Cds-CdCd CsJ-CdHH 300-1500 5.44E+04 2.41 0 8.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -690 Cds-CdH_Cds-CdCd CsJ-CdCsH 300-1500 9.48E+03 2.41 0 8.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -691 Cds-CdH_Cds-CdCd CsJ-CdCsCs 300-1500 1.23E+03 2.41 0 7.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -692 Cds-CdH_Cds-CdCd CsJ-CdCdH 300-1500 1.91E+04 2.41 0 13.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -693 Cds-CdH_Cds-CdCd CsJ-CdCdCs 300-1500 6.53E+03 2.41 0 13.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -694 Cds-CdH_Cds-CdCd CsJ-CbHH 300-1500 2.52E+04 2.41 0 6.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -695 Cds-CdH_Cds-CdCd CsJ-CbCsH 300-1500 6.21E+03 2.41 0 5.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -696 Cds-CdH_Cds-CdCd CsJ-CbCsCs 300-1500 9.93E+02 2.41 0 5.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -697 Cds-CdH_Cds-CdCd CsJ-CtHH 300-1500 2.33E+04 2.41 0 6.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -698 Cds-CdH_Cds-CdCd CsJ-CtCsH 300-1500 5.26E+03 2.41 0 5.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -699 Cds-CdH_Cds-CdCd CsJ-CtCsCs 300-1500 1.34E+03 2.41 0 5.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -700 Cds-CdH_Cds-CdCd CdsJ-H 300-1500 3.53E+04 2.41 0 -1.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -701 Cds-CdH_Cds-CdCd CdsJ-Cs 300-1500 1.87E+04 2.41 0 -1.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -702 Cds-CdH_Cds-CdCd CbJ 300-1500 5.57E+04 2.41 0 -3.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -703 Cds-CdH_Cds-CbH CsJ-HHH 300-1500 4.87E+03 2.41 0 5.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -704 Cds-CdH_Cds-CbH CsJ-CsHH 300-1500 4.94E+02 2.41 0 5.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -705 Cds-CdH_Cds-CbH CsJ-CsCsH 300-1500 3.97E+02 2.41 0 3.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -706 Cds-CdH_Cds-CbH CsJ-CsCsCs 300-1500 2.94E+02 2.41 0 2.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -707 Cds-CdH_Cds-CbH CsJ-CdHH 300-1500 5.14E+03 2.41 0 12.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -708 Cds-CdH_Cds-CbH CsJ-CdCsH 300-1500 8.95E+02 2.41 0 11.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -709 Cds-CdH_Cds-CbH CsJ-CdCsCs 300-1500 1.16E+02 2.41 0 10.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -710 Cds-CdH_Cds-CbH CsJ-CdCdH 300-1500 1.80E+03 2.41 0 16.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -711 Cds-CdH_Cds-CbH CsJ-CdCdCs 300-1500 6.16E+02 2.41 0 16.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -712 Cds-CdH_Cds-CbH CsJ-CbHH 300-1500 2.38E+03 2.41 0 9.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -713 Cds-CdH_Cds-CbH CsJ-CbCsH 300-1500 5.86E+02 2.41 0 8.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -714 Cds-CdH_Cds-CbH CsJ-CbCsCs 300-1500 9.37E+01 2.41 0 8.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -715 Cds-CdH_Cds-CbH CsJ-CtHH 300-1500 2.20E+03 2.41 0 9.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -716 Cds-CdH_Cds-CbH CsJ-CtCsH 300-1500 4.96E+02 2.41 0 8.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -717 Cds-CdH_Cds-CbH CsJ-CtCsCs 300-1500 1.27E+02 2.41 0 8.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -718 Cds-CdH_Cds-CbH CdsJ-H 300-1500 3.33E+03 2.41 0 1.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -719 Cds-CdH_Cds-CbH CdsJ-Cs 300-1500 1.77E+03 2.41 0 1.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -720 Cds-CdH_Cds-CbH CbJ 300-1500 5.26E+03 2.41 0 -0.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -721 Cds-CdH_Cds-CbCs CsJ-HHH 300-1500 1.03E+04 2.41 0 5.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -722 Cds-CdH_Cds-CbCs CsJ-CsHH 300-1500 1.05E+03 2.41 0 4.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -723 Cds-CdH_Cds-CbCs CsJ-CsCsH 300-1500 8.41E+02 2.41 0 3.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -724 Cds-CdH_Cds-CbCs CsJ-CsCsCs 300-1500 6.23E+02 2.41 0 2.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -725 Cds-CdH_Cds-CbCs CsJ-CdHH 300-1500 1.09E+04 2.41 0 11.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -726 Cds-CdH_Cds-CbCs CsJ-CdCsH 300-1500 1.90E+03 2.41 0 11.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -727 Cds-CdH_Cds-CbCs CsJ-CdCsCs 300-1500 2.45E+02 2.41 0 10.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -728 Cds-CdH_Cds-CbCs CsJ-CdCdH 300-1500 3.83E+03 2.41 0 16.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -729 Cds-CdH_Cds-CbCs CsJ-CdCdCs 300-1500 1.31E+03 2.41 0 16.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -730 Cds-CdH_Cds-CbCs CsJ-CbHH 300-1500 5.05E+03 2.41 0 9.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -731 Cds-CdH_Cds-CbCs CsJ-CbCsH 300-1500 1.24E+03 2.41 0 8.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -732 Cds-CdH_Cds-CbCs CsJ-CbCsCs 300-1500 1.99E+02 2.41 0 8.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -733 Cds-CdH_Cds-CbCs CsJ-CtHH 300-1500 4.67E+03 2.41 0 9.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -734 Cds-CdH_Cds-CbCs CsJ-CtCsH 300-1500 1.05E+03 2.41 0 8.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -735 Cds-CdH_Cds-CbCs CsJ-CtCsCs 300-1500 2.69E+02 2.41 0 8.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -736 Cds-CdH_Cds-CbCs CdsJ-H 300-1500 7.06E+03 2.41 0 1.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -737 Cds-CdH_Cds-CbCs CdsJ-Cs 300-1500 3.74E+03 2.41 0 1.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -738 Cds-CdH_Cds-CbCs CbJ 300-1500 1.12E+04 2.41 0 -0.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -739 Cds-CdH_Cds-CtH CsJ-HHH 300-1500 1.93E+04 2.41 0 3.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -740 Cds-CdH_Cds-CtH CsJ-CsHH 300-1500 1.96E+03 2.41 0 3.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -741 Cds-CdH_Cds-CtH CsJ-CsCsH 300-1500 1.57E+03 2.41 0 2.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -742 Cds-CdH_Cds-CtH CsJ-CsCsCs 300-1500 1.17E+03 2.41 0 0.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -743 Cds-CdH_Cds-CtH CsJ-CdHH 300-1500 2.04E+04 2.41 0 10.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -744 Cds-CdH_Cds-CtH CsJ-CdCsH 300-1500 3.55E+03 2.41 0 9.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -745 Cds-CdH_Cds-CtH CsJ-CdCsCs 300-1500 4.60E+02 2.41 0 8.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -746 Cds-CdH_Cds-CtH CsJ-CdCdH 300-1500 7.16E+03 2.41 0 14.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -747 Cds-CdH_Cds-CtH CsJ-CdCdCs 300-1500 2.45E+03 2.41 0 14.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -748 Cds-CdH_Cds-CtH CsJ-CbHH 300-1500 9.46E+03 2.41 0 7.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -749 Cds-CdH_Cds-CtH CsJ-CbCsH 300-1500 2.33E+03 2.41 0 7.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -750 Cds-CdH_Cds-CtH CsJ-CbCsCs 300-1500 3.72E+02 2.41 0 6.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -751 Cds-CdH_Cds-CtH CsJ-CtHH 300-1500 8.74E+03 2.41 0 7.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -752 Cds-CdH_Cds-CtH CsJ-CtCsH 300-1500 1.97E+03 2.41 0 7.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -753 Cds-CdH_Cds-CtH CsJ-CtCsCs 300-1500 5.03E+02 2.41 0 6.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -754 Cds-CdH_Cds-CtH CdsJ-H 300-1500 1.32E+04 2.41 0 -0.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -755 Cds-CdH_Cds-CtH CdsJ-Cs 300-1500 7.01E+03 2.41 0 -0.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -756 Cds-CdH_Cds-CtH CbJ 300-1500 2.09E+04 2.41 0 -2.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -757 Cds-CdH_Cds-CtCs CsJ-HHH 300-1500 1.98E+04 2.41 0 3.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -758 Cds-CdH_Cds-CtCs CsJ-CsHH 300-1500 2.01E+03 2.41 0 3.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -759 Cds-CdH_Cds-CtCs CsJ-CsCsH 300-1500 1.61E+03 2.41 0 1.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -760 Cds-CdH_Cds-CtCs CsJ-CsCsCs 300-1500 1.19E+03 2.41 0 0.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -761 Cds-CdH_Cds-CtCs CsJ-CdHH 300-1500 2.09E+04 2.41 0 10.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -762 Cds-CdH_Cds-CtCs CsJ-CdCsH 300-1500 3.64E+03 2.41 0 9.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -763 Cds-CdH_Cds-CtCs CsJ-CdCsCs 300-1500 4.70E+02 2.41 0 8.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -764 Cds-CdH_Cds-CtCs CsJ-CdCdH 300-1500 7.33E+03 2.41 0 14.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -765 Cds-CdH_Cds-CtCs CsJ-CdCdCs 300-1500 2.50E+03 2.41 0 14.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -766 Cds-CdH_Cds-CtCs CsJ-CbHH 300-1500 9.68E+03 2.41 0 7.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -767 Cds-CdH_Cds-CtCs CsJ-CbCsH 300-1500 2.38E+03 2.41 0 6.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -768 Cds-CdH_Cds-CtCs CsJ-CbCsCs 300-1500 3.81E+02 2.41 0 6.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -769 Cds-CdH_Cds-CtCs CsJ-CtHH 300-1500 8.95E+03 2.41 0 7.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -770 Cds-CdH_Cds-CtCs CsJ-CtCsH 300-1500 2.02E+03 2.41 0 6.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -771 Cds-CdH_Cds-CtCs CsJ-CtCsCs 300-1500 5.15E+02 2.41 0 6.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -772 Cds-CdH_Cds-CtCs CdsJ-H 300-1500 1.35E+04 2.41 0 -0.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -773 Cds-CdH_Cds-CtCs CdsJ-Cs 300-1500 7.18E+03 2.41 0 -0.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -774 Cds-CdH_Cds-CtCs CbJ 300-1500 2.14E+04 2.41 0 -2.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -775 Cds-CdH_Ca CsJ-HHH 300-1500 1.43E+04 2.41 0 7.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -776 Cds-CdH_Ca CsJ-CsHH 300-1500 1.45E+03 2.41 0 7.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -777 Cds-CdH_Ca CsJ-CsCsH 300-1500 1.16E+03 2.41 0 5.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -778 Cds-CdH_Ca CsJ-CsCsCs 300-1500 8.62E+02 2.41 0 4.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -779 Cds-CdH_Ca CsJ-CdHH 300-1500 1.51E+04 2.41 0 13.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -780 Cds-CdH_Ca CsJ-CdCsH 300-1500 2.63E+03 2.41 0 13.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -781 Cds-CdH_Ca CsJ-CdCsCs 300-1500 3.39E+02 2.41 0 12.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -782 Cds-CdH_Ca CsJ-CdCdH 300-1500 5.29E+03 2.41 0 18.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -783 Cds-CdH_Ca CsJ-CdCdCs 300-1500 1.81E+03 2.41 0 18.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -784 Cds-CdH_Ca CsJ-CbHH 300-1500 6.99E+03 2.41 0 11.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -785 Cds-CdH_Ca CsJ-CbCsH 300-1500 1.72E+03 2.41 0 10.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -786 Cds-CdH_Ca CsJ-CbCsCs 300-1500 2.75E+02 2.41 0 10.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -787 Cds-CdH_Ca CsJ-CtHH 300-1500 6.46E+03 2.41 0 11.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -788 Cds-CdH_Ca CsJ-CtCsH 300-1500 1.46E+03 2.41 0 10.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -789 Cds-CdH_Ca CsJ-CtCsCs 300-1500 3.72E+02 2.41 0 10.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -790 Cds-CdH_Ca CdsJ-H 300-1500 9.77E+03 2.41 0 3.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -791 Cds-CdH_Ca CdsJ-Cs 300-1500 5.18E+03 2.41 0 3.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -792 Cds-CdH_Ca CbJ 300-1500 1.54E+04 2.41 0 1.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -793 Cds-CdCs_Cds-HH CsJ-HHH 300-1500 6.64E+03 2.41 0 8.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -794 Cds-CdCs_Cds-HH CsJ-CsHH 300-1500 6.74E+02 2.41 0 7.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -795 Cds-CdCs_Cds-HH CsJ-CsCsH 300-1500 5.41E+02 2.41 0 6.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -796 Cds-CdCs_Cds-HH CsJ-CsCsCs 300-1500 4.00E+02 2.41 0 4.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -797 Cds-CdCs_Cds-HH CsJ-CdHH 300-1500 7.00E+03 2.41 0 14.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -798 Cds-CdCs_Cds-HH CsJ-CdCsH 300-1500 1.22E+03 2.41 0 14.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -799 Cds-CdCs_Cds-HH CsJ-CdCsCs 300-1500 1.58E+02 2.41 0 13.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -800 Cds-CdCs_Cds-HH CsJ-CdCdH 300-1500 2.46E+03 2.41 0 18.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -801 Cds-CdCs_Cds-HH CsJ-CdCdCs 300-1500 8.40E+02 2.41 0 18.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -802 Cds-CdCs_Cds-HH CsJ-CbHH 300-1500 3.25E+03 2.41 0 12.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -803 Cds-CdCs_Cds-HH CsJ-CbCsH 300-1500 7.99E+02 2.41 0 11.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -804 Cds-CdCs_Cds-HH CsJ-CbCsCs 300-1500 1.28E+02 2.41 0 10.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -805 Cds-CdCs_Cds-HH CsJ-CtHH 300-1500 3.00E+03 2.41 0 11.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -806 Cds-CdCs_Cds-HH CsJ-CtCsH 300-1500 6.77E+02 2.41 0 11.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -807 Cds-CdCs_Cds-HH CsJ-CtCsCs 300-1500 1.73E+02 2.41 0 10.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -808 Cds-CdCs_Cds-HH CdsJ-H 300-1500 4.54E+03 2.41 0 4.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -809 Cds-CdCs_Cds-HH CdsJ-Cs 300-1500 2.41E+03 2.41 0 4.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -810 Cds-CdCs_Cds-HH CbJ 300-1500 7.17E+03 2.41 0 1.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -811 Cds-CdCs_Cds-CsH CsJ-HHH 300-1500 6.66E+03 2.41 0 7.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -812 Cds-CdCs_Cds-CsH CsJ-CsHH 300-1500 6.77E+02 2.41 0 7.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -813 Cds-CdCs_Cds-CsH CsJ-CsCsH 300-1500 5.43E+02 2.41 0 6.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -814 Cds-CdCs_Cds-CsH CsJ-CsCsCs 300-1500 4.02E+02 2.41 0 4.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -815 Cds-CdCs_Cds-CsH CsJ-CdHH 300-1500 7.03E+03 2.41 0 14.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -816 Cds-CdCs_Cds-CsH CsJ-CdCsH 300-1500 1.22E+03 2.41 0 13.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -817 Cds-CdCs_Cds-CsH CsJ-CdCsCs 300-1500 1.58E+02 2.41 0 12.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -818 Cds-CdCs_Cds-CsH CsJ-CdCdH 300-1500 2.47E+03 2.41 0 18.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -819 Cds-CdCs_Cds-CsH CsJ-CdCdCs 300-1500 8.43E+02 2.41 0 18.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -820 Cds-CdCs_Cds-CsH CsJ-CbHH 300-1500 3.26E+03 2.41 0 11.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -821 Cds-CdCs_Cds-CsH CsJ-CbCsH 300-1500 8.02E+02 2.41 0 11.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -822 Cds-CdCs_Cds-CsH CsJ-CbCsCs 300-1500 1.28E+02 2.41 0 10.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -823 Cds-CdCs_Cds-CsH CsJ-CtHH 300-1500 3.01E+03 2.41 0 11.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -824 Cds-CdCs_Cds-CsH CsJ-CtCsH 300-1500 6.80E+02 2.41 0 11.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -825 Cds-CdCs_Cds-CsH CsJ-CtCsCs 300-1500 1.73E+02 2.41 0 10.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -826 Cds-CdCs_Cds-CsH CdsJ-H 300-1500 4.56E+03 2.41 0 3.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -827 Cds-CdCs_Cds-CsH CdsJ-Cs 300-1500 2.42E+03 2.41 0 3.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -828 Cds-CdCs_Cds-CsH CbJ 300-1500 7.20E+03 2.41 0 1.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -829 Cds-CdCs_Cds-CsCs CsJ-HHH 300-1500 8.38E+03 2.41 0 7.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -830 Cds-CdCs_Cds-CsCs CsJ-CsHH 300-1500 8.51E+02 2.41 0 6.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -831 Cds-CdCs_Cds-CsCs CsJ-CsCsH 300-1500 6.83E+02 2.41 0 5.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -832 Cds-CdCs_Cds-CsCs CsJ-CsCsCs 300-1500 5.06E+02 2.41 0 4.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -833 Cds-CdCs_Cds-CsCs CsJ-CdHH 300-1500 8.85E+03 2.41 0 13.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -834 Cds-CdCs_Cds-CsCs CsJ-CdCsH 300-1500 1.54E+03 2.41 0 13.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -835 Cds-CdCs_Cds-CsCs CsJ-CdCsCs 300-1500 1.99E+02 2.41 0 12.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -836 Cds-CdCs_Cds-CsCs CsJ-CdCdH 300-1500 3.11E+03 2.41 0 18.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -837 Cds-CdCs_Cds-CsCs CsJ-CdCdCs 300-1500 1.06E+03 2.41 0 18.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -838 Cds-CdCs_Cds-CsCs CsJ-CbHH 300-1500 4.10E+03 2.41 0 11.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -839 Cds-CdCs_Cds-CsCs CsJ-CbCsH 300-1500 1.01E+03 2.41 0 10.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -840 Cds-CdCs_Cds-CsCs CsJ-CbCsCs 300-1500 1.61E+02 2.41 0 10.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -841 Cds-CdCs_Cds-CsCs CsJ-CtHH 300-1500 3.79E+03 2.41 0 11.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -842 Cds-CdCs_Cds-CsCs CsJ-CtCsH 300-1500 8.55E+02 2.41 0 10.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -843 Cds-CdCs_Cds-CsCs CsJ-CtCsCs 300-1500 2.18E+02 2.41 0 10.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -844 Cds-CdCs_Cds-CsCs CdsJ-H 300-1500 5.73E+03 2.41 0 3.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -845 Cds-CdCs_Cds-CsCs CdsJ-Cs 300-1500 3.04E+03 2.41 0 3.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -846 Cds-CdCs_Cds-CsCs CbJ 300-1500 9.06E+03 2.41 0 1.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -847 Cds-CdCs_Cds-CdH CsJ-HHH 300-1500 7.48E+03 2.41 0 5.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -848 Cds-CdCs_Cds-CdH CsJ-CsHH 300-1500 7.60E+02 2.41 0 4.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -849 Cds-CdCs_Cds-CdH CsJ-CsCsH 300-1500 6.10E+02 2.41 0 3.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -850 Cds-CdCs_Cds-CdH CsJ-CsCsCs 300-1500 4.51E+02 2.41 0 1.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -851 Cds-CdCs_Cds-CdH CsJ-CdHH 300-1500 7.90E+03 2.41 0 11.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -852 Cds-CdCs_Cds-CdH CsJ-CdCsH 300-1500 1.38E+03 2.41 0 11.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -853 Cds-CdCs_Cds-CdH CsJ-CdCsCs 300-1500 1.78E+02 2.41 0 10.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -854 Cds-CdCs_Cds-CdH CsJ-CdCdH 300-1500 2.77E+03 2.41 0 15.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -855 Cds-CdCs_Cds-CdH CsJ-CdCdCs 300-1500 9.47E+02 2.41 0 15.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -856 Cds-CdCs_Cds-CdH CsJ-CbHH 300-1500 3.66E+03 2.41 0 8.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -857 Cds-CdCs_Cds-CdH CsJ-CbCsH 300-1500 9.00E+02 2.41 0 8.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -858 Cds-CdCs_Cds-CdH CsJ-CbCsCs 300-1500 1.44E+02 2.41 0 7.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -859 Cds-CdCs_Cds-CdH CsJ-CtHH 300-1500 3.38E+03 2.41 0 8.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -860 Cds-CdCs_Cds-CdH CsJ-CtCsH 300-1500 7.63E+02 2.41 0 8.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -861 Cds-CdCs_Cds-CdH CsJ-CtCsCs 300-1500 1.95E+02 2.41 0 7.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -862 Cds-CdCs_Cds-CdH CdsJ-H 300-1500 5.12E+03 2.41 0 1.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -863 Cds-CdCs_Cds-CdH CdsJ-Cs 300-1500 2.71E+03 2.41 0 0.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -864 Cds-CdCs_Cds-CdH CbJ 300-1500 8.09E+03 2.41 0 -1.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -865 Cds-CdCs_Cds-CdCs CsJ-HHH 300-1500 8.49E+03 2.41 0 4.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -866 Cds-CdCs_Cds-CdCs CsJ-CsHH 300-1500 8.62E+02 2.41 0 4.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -867 Cds-CdCs_Cds-CdCs CsJ-CsCsH 300-1500 6.92E+02 2.41 0 2.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -868 Cds-CdCs_Cds-CdCs CsJ-CsCsCs 300-1500 5.12E+02 2.41 0 1.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -869 Cds-CdCs_Cds-CdCs CsJ-CdHH 300-1500 8.96E+03 2.41 0 10.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -870 Cds-CdCs_Cds-CdCs CsJ-CdCsH 300-1500 1.56E+03 2.41 0 10.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -871 Cds-CdCs_Cds-CdCs CsJ-CdCsCs 300-1500 2.02E+02 2.41 0 9.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -872 Cds-CdCs_Cds-CdCs CsJ-CdCdH 300-1500 3.15E+03 2.41 0 15.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -873 Cds-CdCs_Cds-CdCs CsJ-CdCdCs 300-1500 1.07E+03 2.41 0 15.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -874 Cds-CdCs_Cds-CdCs CsJ-CbHH 300-1500 4.16E+03 2.41 0 8.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -875 Cds-CdCs_Cds-CdCs CsJ-CbCsH 300-1500 1.02E+03 2.41 0 7.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -876 Cds-CdCs_Cds-CdCs CsJ-CbCsCs 300-1500 1.64E+02 2.41 0 7.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -877 Cds-CdCs_Cds-CdCs CsJ-CtHH 300-1500 3.84E+03 2.41 0 8.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -878 Cds-CdCs_Cds-CdCs CsJ-CtCsH 300-1500 8.66E+02 2.41 0 7.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -879 Cds-CdCs_Cds-CdCs CsJ-CtCsCs 300-1500 2.21E+02 2.41 0 7.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -880 Cds-CdCs_Cds-CdCs CdsJ-H 300-1500 5.81E+03 2.41 0 0.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -881 Cds-CdCs_Cds-CdCs CdsJ-Cs 300-1500 3.08E+03 2.41 0 0.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -882 Cds-CdCs_Cds-CdCs CbJ 300-1500 9.18E+03 2.41 0 -1.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -883 Cds-CdCs_Cds-CdCd CsJ-HHH 300-1500 2.59E+04 2.41 0 3.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -884 Cds-CdCs_Cds-CdCd CsJ-CsHH 300-1500 2.63E+03 2.41 0 3.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -885 Cds-CdCs_Cds-CdCd CsJ-CsCsH 300-1500 2.11E+03 2.41 0 1.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -886 Cds-CdCs_Cds-CdCd CsJ-CsCsCs 300-1500 1.56E+03 2.41 0 0.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -887 Cds-CdCs_Cds-CdCd CsJ-CdHH 300-1500 2.73E+04 2.41 0 9.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -888 Cds-CdCs_Cds-CdCd CsJ-CdCsH 300-1500 4.76E+03 2.41 0 9.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -889 Cds-CdCs_Cds-CdCd CsJ-CdCsCs 300-1500 6.15E+02 2.41 0 8.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -890 Cds-CdCs_Cds-CdCd CsJ-CdCdH 300-1500 9.59E+03 2.41 0 14.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -891 Cds-CdCs_Cds-CdCd CsJ-CdCdCs 300-1500 3.27E+03 2.41 0 14.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -892 Cds-CdCs_Cds-CdCd CsJ-CbHH 300-1500 1.27E+04 2.41 0 7.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -893 Cds-CdCs_Cds-CdCd CsJ-CbCsH 300-1500 3.11E+03 2.41 0 6.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -894 Cds-CdCs_Cds-CdCd CsJ-CbCsCs 300-1500 4.98E+02 2.41 0 6.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -895 Cds-CdCs_Cds-CdCd CsJ-CtHH 300-1500 1.17E+04 2.41 0 7.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -896 Cds-CdCs_Cds-CdCd CsJ-CtCsH 300-1500 2.64E+03 2.41 0 6.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -897 Cds-CdCs_Cds-CdCd CsJ-CtCsCs 300-1500 6.73E+02 2.41 0 6.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -898 Cds-CdCs_Cds-CdCd CdsJ-H 300-1500 1.77E+04 2.41 0 -0.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -899 Cds-CdCs_Cds-CdCd CdsJ-Cs 300-1500 9.39E+03 2.41 0 -0.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -900 Cds-CdCs_Cds-CdCd CbJ 300-1500 2.80E+04 2.41 0 -2.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -901 Cds-CdCs_Cds-CbH CsJ-HHH 300-1500 2.44E+03 2.41 0 6.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -902 Cds-CdCs_Cds-CbH CsJ-CsHH 300-1500 2.48E+02 2.41 0 6.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -903 Cds-CdCs_Cds-CbH CsJ-CsCsH 300-1500 1.99E+02 2.41 0 5.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -904 Cds-CdCs_Cds-CbH CsJ-CsCsCs 300-1500 1.47E+02 2.41 0 3.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -905 Cds-CdCs_Cds-CbH CsJ-CdHH 300-1500 2.58E+03 2.41 0 13.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -906 Cds-CdCs_Cds-CbH CsJ-CdCsH 300-1500 4.49E+02 2.41 0 12.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -907 Cds-CdCs_Cds-CbH CsJ-CdCsCs 300-1500 5.81E+01 2.41 0 11.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -908 Cds-CdCs_Cds-CbH CsJ-CdCdH 300-1500 9.05E+02 2.41 0 17.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -909 Cds-CdCs_Cds-CbH CsJ-CdCdCs 300-1500 3.09E+02 2.41 0 17.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -910 Cds-CdCs_Cds-CbH CsJ-CbHH 300-1500 1.20E+03 2.41 0 10.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -911 Cds-CdCs_Cds-CbH CsJ-CbCsH 300-1500 2.94E+02 2.41 0 10.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -912 Cds-CdCs_Cds-CbH CsJ-CbCsCs 300-1500 4.70E+01 2.41 0 9.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -913 Cds-CdCs_Cds-CbH CsJ-CtHH 300-1500 1.10E+03 2.41 0 10.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -914 Cds-CdCs_Cds-CbH CsJ-CtCsH 300-1500 2.49E+02 2.41 0 10.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -915 Cds-CdCs_Cds-CbH CsJ-CtCsCs 300-1500 6.35E+01 2.41 0 9.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -916 Cds-CdCs_Cds-CbH CdsJ-H 300-1500 1.67E+03 2.41 0 2.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -917 Cds-CdCs_Cds-CbH CdsJ-Cs 300-1500 8.86E+02 2.41 0 2.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -918 Cds-CdCs_Cds-CbH CbJ 300-1500 2.64E+03 2.41 0 0.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -919 Cds-CdCs_Cds-CbCs CsJ-HHH 300-1500 5.18E+03 2.41 0 6.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -920 Cds-CdCs_Cds-CbCs CsJ-CsHH 300-1500 5.26E+02 2.41 0 6.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -921 Cds-CdCs_Cds-CbCs CsJ-CsCsH 300-1500 4.22E+02 2.41 0 4.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -922 Cds-CdCs_Cds-CbCs CsJ-CsCsCs 300-1500 3.13E+02 2.41 0 3.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -923 Cds-CdCs_Cds-CbCs CsJ-CdHH 300-1500 5.47E+03 2.41 0 12.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -924 Cds-CdCs_Cds-CbCs CsJ-CdCsH 300-1500 9.52E+02 2.41 0 12.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -925 Cds-CdCs_Cds-CbCs CsJ-CdCsCs 300-1500 1.23E+02 2.41 0 11.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -926 Cds-CdCs_Cds-CbCs CsJ-CdCdH 300-1500 1.92E+03 2.41 0 17.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -927 Cds-CdCs_Cds-CbCs CsJ-CdCdCs 300-1500 6.55E+02 2.41 0 17.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -928 Cds-CdCs_Cds-CbCs CsJ-CbHH 300-1500 2.53E+03 2.41 0 10.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -929 Cds-CdCs_Cds-CbCs CsJ-CbCsH 300-1500 6.23E+02 2.41 0 9.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -930 Cds-CdCs_Cds-CbCs CsJ-CbCsCs 300-1500 9.97E+01 2.41 0 9.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -931 Cds-CdCs_Cds-CbCs CsJ-CtHH 300-1500 2.34E+03 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -932 Cds-CdCs_Cds-CbCs CsJ-CtCsH 300-1500 5.28E+02 2.41 0 9.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -933 Cds-CdCs_Cds-CbCs CsJ-CtCsCs 300-1500 1.35E+02 2.41 0 9.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -934 Cds-CdCs_Cds-CbCs CdsJ-H 300-1500 3.54E+03 2.41 0 2.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -935 Cds-CdCs_Cds-CbCs CdsJ-Cs 300-1500 1.88E+03 2.41 0 2.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -936 Cds-CdCs_Cds-CbCs CbJ 300-1500 5.60E+03 2.41 0 0.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -937 Cds-CdCs_Cds-CtH CsJ-HHH 300-1500 9.70E+03 2.41 0 4.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -938 Cds-CdCs_Cds-CtH CsJ-CsHH 300-1500 9.85E+02 2.41 0 4.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -939 Cds-CdCs_Cds-CtH CsJ-CsCsH 300-1500 7.90E+02 2.41 0 3.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -940 Cds-CdCs_Cds-CtH CsJ-CsCsCs 300-1500 5.85E+02 2.41 0 1.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -941 Cds-CdCs_Cds-CtH CsJ-CdHH 300-1500 1.02E+04 2.41 0 11.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -942 Cds-CdCs_Cds-CtH CsJ-CdCsH 300-1500 1.78E+03 2.41 0 10.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -943 Cds-CdCs_Cds-CtH CsJ-CdCsCs 300-1500 2.31E+02 2.41 0 9.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -944 Cds-CdCs_Cds-CtH CsJ-CdCdH 300-1500 3.59E+03 2.41 0 15.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -945 Cds-CdCs_Cds-CtH CsJ-CdCdCs 300-1500 1.23E+03 2.41 0 15.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -946 Cds-CdCs_Cds-CtH CsJ-CbHH 300-1500 4.75E+03 2.41 0 8.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -947 Cds-CdCs_Cds-CtH CsJ-CbCsH 300-1500 1.17E+03 2.41 0 8.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -948 Cds-CdCs_Cds-CtH CsJ-CbCsCs 300-1500 1.87E+02 2.41 0 7.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -949 Cds-CdCs_Cds-CtH CsJ-CtHH 300-1500 4.39E+03 2.41 0 8.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -950 Cds-CdCs_Cds-CtH CsJ-CtCsH 300-1500 9.89E+02 2.41 0 8.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -951 Cds-CdCs_Cds-CtH CsJ-CtCsCs 300-1500 2.52E+02 2.41 0 7.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -952 Cds-CdCs_Cds-CtH CdsJ-H 300-1500 6.64E+03 2.41 0 1.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -953 Cds-CdCs_Cds-CtH CdsJ-Cs 300-1500 3.52E+03 2.41 0 0.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -954 Cds-CdCs_Cds-CtH CbJ 300-1500 1.05E+04 2.41 0 -1.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -955 Cds-CdCs_Cds-CtCs CsJ-HHH 300-1500 9.93E+03 2.41 0 4.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -956 Cds-CdCs_Cds-CtCs CsJ-CsHH 300-1500 1.01E+03 2.41 0 4.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -957 Cds-CdCs_Cds-CtCs CsJ-CsCsH 300-1500 8.09E+02 2.41 0 3.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -958 Cds-CdCs_Cds-CtCs CsJ-CsCsCs 300-1500 5.99E+02 2.41 0 1.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -959 Cds-CdCs_Cds-CtCs CsJ-CdHH 300-1500 1.05E+04 2.41 0 11.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -960 Cds-CdCs_Cds-CtCs CsJ-CdCsH 300-1500 1.82E+03 2.41 0 10.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -961 Cds-CdCs_Cds-CtCs CsJ-CdCsCs 300-1500 2.36E+02 2.41 0 9.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -962 Cds-CdCs_Cds-CtCs CsJ-CdCdH 300-1500 3.68E+03 2.41 0 15.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -963 Cds-CdCs_Cds-CtCs CsJ-CdCdCs 300-1500 1.26E+03 2.41 0 15.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -964 Cds-CdCs_Cds-CtCs CsJ-CbHH 300-1500 4.86E+03 2.41 0 8.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -965 Cds-CdCs_Cds-CtCs CsJ-CbCsH 300-1500 1.19E+03 2.41 0 8.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -966 Cds-CdCs_Cds-CtCs CsJ-CbCsCs 300-1500 1.91E+02 2.41 0 7.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -967 Cds-CdCs_Cds-CtCs CsJ-CtHH 300-1500 4.49E+03 2.41 0 8.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -968 Cds-CdCs_Cds-CtCs CsJ-CtCsH 300-1500 1.01E+03 2.41 0 8.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -969 Cds-CdCs_Cds-CtCs CsJ-CtCsCs 300-1500 2.58E+02 2.41 0 7.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -970 Cds-CdCs_Cds-CtCs CdsJ-H 300-1500 6.79E+03 2.41 0 0.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -971 Cds-CdCs_Cds-CtCs CdsJ-Cs 300-1500 3.60E+03 2.41 0 0.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -972 Cds-CdCs_Cds-CtCs CbJ 300-1500 1.07E+04 2.41 0 -1.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -973 Cds-CdCs_Ca CsJ-HHH 300-1500 7.16E+03 2.41 0 8.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -974 Cds-CdCs_Ca CsJ-CsHH 300-1500 7.28E+02 2.41 0 8.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -975 Cds-CdCs_Ca CsJ-CsCsH 300-1500 5.84E+02 2.41 0 6.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -976 Cds-CdCs_Ca CsJ-CsCsCs 300-1500 4.32E+02 2.41 0 5.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -977 Cds-CdCs_Ca CsJ-CdHH 300-1500 7.56E+03 2.41 0 14.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -978 Cds-CdCs_Ca CsJ-CdCsH 300-1500 1.32E+03 2.41 0 14.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -979 Cds-CdCs_Ca CsJ-CdCsCs 300-1500 1.70E+02 2.41 0 13.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -980 Cds-CdCs_Ca CsJ-CdCdH 300-1500 2.66E+03 2.41 0 19.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -981 Cds-CdCs_Ca CsJ-CdCdCs 300-1500 9.07E+02 2.41 0 19.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -982 Cds-CdCs_Ca CsJ-CbHH 300-1500 3.51E+03 2.41 0 12.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -983 Cds-CdCs_Ca CsJ-CbCsH 300-1500 8.62E+02 2.41 0 11.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -984 Cds-CdCs_Ca CsJ-CbCsCs 300-1500 1.38E+02 2.41 0 11.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -985 Cds-CdCs_Ca CsJ-CtHH 300-1500 3.24E+03 2.41 0 12.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -986 Cds-CdCs_Ca CsJ-CtCsH 300-1500 7.31E+02 2.41 0 11.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -987 Cds-CdCs_Ca CsJ-CtCsCs 300-1500 1.86E+02 2.41 0 11.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -988 Cds-CdCs_Ca CdsJ-H 300-1500 4.90E+03 2.41 0 4.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -989 Cds-CdCs_Ca CdsJ-Cs 300-1500 2.60E+03 2.41 0 4.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -990 Cds-CdCs_Ca CbJ 300-1500 7.74E+03 2.41 0 2.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -991 Cds-CdCd_Cds-HH CsJ-HHH 300-1500 1.40E+04 2.41 0 8.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -992 Cds-CdCd_Cds-HH CsJ-CsHH 300-1500 1.43E+03 2.41 0 7.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -993 Cds-CdCd_Cds-HH CsJ-CsCsH 300-1500 1.14E+03 2.41 0 6.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -994 Cds-CdCd_Cds-HH CsJ-CsCsCs 300-1500 8.47E+02 2.41 0 5.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -995 Cds-CdCd_Cds-HH CsJ-CdHH 300-1500 1.48E+04 2.41 0 14.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -996 Cds-CdCd_Cds-HH CsJ-CdCsH 300-1500 2.58E+03 2.41 0 14.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -997 Cds-CdCd_Cds-HH CsJ-CdCsCs 300-1500 3.34E+02 2.41 0 13.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -998 Cds-CdCd_Cds-HH CsJ-CdCdH 300-1500 5.20E+03 2.41 0 19.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -999 Cds-CdCd_Cds-HH CsJ-CdCdCs 300-1500 1.78E+03 2.41 0 18.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1000 Cds-CdCd_Cds-HH CsJ-CbHH 300-1500 6.87E+03 2.41 0 12.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1001 Cds-CdCd_Cds-HH CsJ-CbCsH 300-1500 1.69E+03 2.41 0 11.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1002 Cds-CdCd_Cds-HH CsJ-CbCsCs 300-1500 2.70E+02 2.41 0 10.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1003 Cds-CdCd_Cds-HH CsJ-CtHH 300-1500 6.35E+03 2.41 0 11.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1004 Cds-CdCd_Cds-HH CsJ-CtCsH 300-1500 1.43E+03 2.41 0 11.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1005 Cds-CdCd_Cds-HH CsJ-CtCsCs 300-1500 3.65E+02 2.41 0 10.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1006 Cds-CdCd_Cds-HH CdsJ-H 300-1500 9.61E+03 2.41 0 4.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1007 Cds-CdCd_Cds-HH CdsJ-Cs 300-1500 5.09E+03 2.41 0 4.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1008 Cds-CdCd_Cds-HH CbJ 300-1500 1.52E+04 2.41 0 1.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1009 Cds-CdCd_Cds-CsH CsJ-HHH 300-1500 1.41E+04 2.41 0 7.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1010 Cds-CdCd_Cds-CsH CsJ-CsHH 300-1500 1.43E+03 2.41 0 7.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1011 Cds-CdCd_Cds-CsH CsJ-CsCsH 300-1500 1.15E+03 2.41 0 6.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1012 Cds-CdCd_Cds-CsH CsJ-CsCsCs 300-1500 8.51E+02 2.41 0 4.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1013 Cds-CdCd_Cds-CsH CsJ-CdHH 300-1500 1.49E+04 2.41 0 14.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1014 Cds-CdCd_Cds-CsH CsJ-CdCsH 300-1500 2.59E+03 2.41 0 13.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1015 Cds-CdCd_Cds-CsH CsJ-CdCsCs 300-1500 3.35E+02 2.41 0 12.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1016 Cds-CdCd_Cds-CsH CsJ-CdCdH 300-1500 5.23E+03 2.41 0 18.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1017 Cds-CdCd_Cds-CsH CsJ-CdCdCs 300-1500 1.78E+03 2.41 0 18.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1018 Cds-CdCd_Cds-CsH CsJ-CbHH 300-1500 6.90E+03 2.41 0 11.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1019 Cds-CdCd_Cds-CsH CsJ-CbCsH 300-1500 1.70E+03 2.41 0 11.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1020 Cds-CdCd_Cds-CsH CsJ-CbCsCs 300-1500 2.71E+02 2.41 0 10.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1021 Cds-CdCd_Cds-CsH CsJ-CtHH 300-1500 6.38E+03 2.41 0 11.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1022 Cds-CdCd_Cds-CsH CsJ-CtCsH 300-1500 1.44E+03 2.41 0 11.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1023 Cds-CdCd_Cds-CsH CsJ-CtCsCs 300-1500 3.67E+02 2.41 0 10.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1024 Cds-CdCd_Cds-CsH CdsJ-H 300-1500 9.65E+03 2.41 0 4.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1025 Cds-CdCd_Cds-CsH CdsJ-Cs 300-1500 5.11E+03 2.41 0 3.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1026 Cds-CdCd_Cds-CsH CbJ 300-1500 1.52E+04 2.41 0 1.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1027 Cds-CdCd_Cds-CsCs CsJ-HHH 300-1500 1.77E+04 2.41 0 7.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1028 Cds-CdCd_Cds-CsCs CsJ-CsHH 300-1500 1.80E+03 2.41 0 6.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1029 Cds-CdCd_Cds-CsCs CsJ-CsCsH 300-1500 1.45E+03 2.41 0 5.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1030 Cds-CdCd_Cds-CsCs CsJ-CsCsCs 300-1500 1.07E+03 2.41 0 4.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1031 Cds-CdCd_Cds-CsCs CsJ-CdHH 300-1500 1.87E+04 2.41 0 13.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1032 Cds-CdCd_Cds-CsCs CsJ-CdCsH 300-1500 3.26E+03 2.41 0 13.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1033 Cds-CdCd_Cds-CsCs CsJ-CdCsCs 300-1500 4.22E+02 2.41 0 12.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1034 Cds-CdCd_Cds-CsCs CsJ-CdCdH 300-1500 6.57E+03 2.41 0 18.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1035 Cds-CdCd_Cds-CsCs CsJ-CdCdCs 300-1500 2.24E+03 2.41 0 18.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1036 Cds-CdCd_Cds-CsCs CsJ-CbHH 300-1500 8.68E+03 2.41 0 11.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1037 Cds-CdCd_Cds-CsCs CsJ-CbCsH 300-1500 2.13E+03 2.41 0 10.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1038 Cds-CdCd_Cds-CsCs CsJ-CbCsCs 300-1500 3.42E+02 2.41 0 10.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1039 Cds-CdCd_Cds-CsCs CsJ-CtHH 300-1500 8.02E+03 2.41 0 11.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1040 Cds-CdCd_Cds-CsCs CsJ-CtCsH 300-1500 1.81E+03 2.41 0 10.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1041 Cds-CdCd_Cds-CsCs CsJ-CtCsCs 300-1500 4.62E+02 2.41 0 10.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1042 Cds-CdCd_Cds-CsCs CdsJ-H 300-1500 1.21E+04 2.41 0 3.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1043 Cds-CdCd_Cds-CsCs CdsJ-Cs 300-1500 6.43E+03 2.41 0 3.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1044 Cds-CdCd_Cds-CsCs CbJ 300-1500 1.92E+04 2.41 0 1.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1045 Cds-CdCd_Cds-CdH CsJ-HHH 300-1500 1.58E+04 2.41 0 5.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1046 Cds-CdCd_Cds-CdH CsJ-CsHH 300-1500 1.61E+03 2.41 0 4.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1047 Cds-CdCd_Cds-CdH CsJ-CsCsH 300-1500 1.29E+03 2.41 0 3.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1048 Cds-CdCd_Cds-CdH CsJ-CsCsCs 300-1500 9.55E+02 2.41 0 1.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1049 Cds-CdCd_Cds-CdH CsJ-CdHH 300-1500 1.67E+04 2.41 0 11.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1050 Cds-CdCd_Cds-CdH CsJ-CdCsH 300-1500 2.91E+03 2.41 0 11.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1051 Cds-CdCd_Cds-CdH CsJ-CdCsCs 300-1500 3.76E+02 2.41 0 10.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1052 Cds-CdCd_Cds-CdH CsJ-CdCdH 300-1500 5.87E+03 2.41 0 15.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1053 Cds-CdCd_Cds-CdH CsJ-CdCdCs 300-1500 2.00E+03 2.41 0 15.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1054 Cds-CdCd_Cds-CdH CsJ-CbHH 300-1500 7.75E+03 2.41 0 9.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1055 Cds-CdCd_Cds-CdH CsJ-CbCsH 300-1500 1.91E+03 2.41 0 8.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1056 Cds-CdCd_Cds-CdH CsJ-CbCsCs 300-1500 3.05E+02 2.41 0 7.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1057 Cds-CdCd_Cds-CdH CsJ-CtHH 300-1500 7.16E+03 2.41 0 8.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1058 Cds-CdCd_Cds-CdH CsJ-CtCsH 300-1500 1.61E+03 2.41 0 8.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1059 Cds-CdCd_Cds-CdH CsJ-CtCsCs 300-1500 4.12E+02 2.41 0 7.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1060 Cds-CdCd_Cds-CdH CdsJ-H 300-1500 1.08E+04 2.41 0 1.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1061 Cds-CdCd_Cds-CdH CdsJ-Cs 300-1500 5.74E+03 2.41 0 1.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1062 Cds-CdCd_Cds-CdH CbJ 300-1500 1.71E+04 2.41 0 -1.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1063 Cds-CdCd_Cds-CdCs CsJ-HHH 300-1500 1.80E+04 2.41 0 4.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1064 Cds-CdCd_Cds-CdCs CsJ-CsHH 300-1500 1.82E+03 2.41 0 4.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1065 Cds-CdCd_Cds-CdCs CsJ-CsCsH 300-1500 1.46E+03 2.41 0 2.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1066 Cds-CdCd_Cds-CdCs CsJ-CsCsCs 300-1500 1.08E+03 2.41 0 1.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1067 Cds-CdCd_Cds-CdCs CsJ-CdHH 300-1500 1.90E+04 2.41 0 10.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1068 Cds-CdCd_Cds-CdCs CsJ-CdCsH 300-1500 3.30E+03 2.41 0 10.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1069 Cds-CdCd_Cds-CdCs CsJ-CdCsCs 300-1500 4.27E+02 2.41 0 9.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1070 Cds-CdCd_Cds-CdCs CsJ-CdCdH 300-1500 6.66E+03 2.41 0 15.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1071 Cds-CdCd_Cds-CdCs CsJ-CdCdCs 300-1500 2.27E+03 2.41 0 15.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1072 Cds-CdCd_Cds-CdCs CsJ-CbHH 300-1500 8.79E+03 2.41 0 8.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1073 Cds-CdCd_Cds-CdCs CsJ-CbCsH 300-1500 2.16E+03 2.41 0 7.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1074 Cds-CdCd_Cds-CdCs CsJ-CbCsCs 300-1500 3.46E+02 2.41 0 7.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1075 Cds-CdCd_Cds-CdCs CsJ-CtHH 300-1500 8.13E+03 2.41 0 8.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1076 Cds-CdCd_Cds-CdCs CsJ-CtCsH 300-1500 1.83E+03 2.41 0 7.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1077 Cds-CdCd_Cds-CdCs CsJ-CtCsCs 300-1500 4.67E+02 2.41 0 7.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1078 Cds-CdCd_Cds-CdCs CdsJ-H 300-1500 1.23E+04 2.41 0 0.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1079 Cds-CdCd_Cds-CdCs CdsJ-Cs 300-1500 6.52E+03 2.41 0 0.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1080 Cds-CdCd_Cds-CdCs CbJ 300-1500 1.94E+04 2.41 0 -1.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1081 Cds-CdCd_Cds-CdCd CsJ-HHH 300-1500 5.48E+04 2.41 0 3.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1082 Cds-CdCd_Cds-CdCd CsJ-CsHH 300-1500 5.56E+03 2.41 0 3.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1083 Cds-CdCd_Cds-CdCd CsJ-CsCsH 300-1500 4.46E+03 2.41 0 1.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1084 Cds-CdCd_Cds-CdCd CsJ-CsCsCs 300-1500 3.30E+03 2.41 0 0.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1085 Cds-CdCd_Cds-CdCd CsJ-CdHH 300-1500 5.78E+04 2.41 0 10.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1086 Cds-CdCd_Cds-CdCd CsJ-CdCsH 300-1500 1.01E+04 2.41 0 9.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1087 Cds-CdCd_Cds-CdCd CsJ-CdCsCs 300-1500 1.30E+03 2.41 0 8.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1088 Cds-CdCd_Cds-CdCd CsJ-CdCdH 300-1500 2.03E+04 2.41 0 14.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1089 Cds-CdCd_Cds-CdCd CsJ-CdCdCs 300-1500 6.93E+03 2.41 0 14.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1090 Cds-CdCd_Cds-CdCd CsJ-CbHH 300-1500 2.68E+04 2.41 0 7.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1091 Cds-CdCd_Cds-CdCd CsJ-CbCsH 300-1500 6.59E+03 2.41 0 7.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1092 Cds-CdCd_Cds-CdCd CsJ-CbCsCs 300-1500 1.05E+03 2.41 0 6.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1093 Cds-CdCd_Cds-CdCd CsJ-CtHH 300-1500 2.48E+04 2.41 0 7.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1094 Cds-CdCd_Cds-CdCd CsJ-CtCsH 300-1500 5.58E+03 2.41 0 7.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1095 Cds-CdCd_Cds-CdCd CsJ-CtCsCs 300-1500 1.42E+03 2.41 0 6.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1096 Cds-CdCd_Cds-CdCd CdsJ-H 300-1500 3.75E+04 2.41 0 -0.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1097 Cds-CdCd_Cds-CdCd CdsJ-Cs 300-1500 1.99E+04 2.41 0 -0.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1098 Cds-CdCd_Cds-CdCd CbJ 300-1500 5.92E+04 2.41 0 -2.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1099 Cds-CdCd_Cds-CbH CsJ-HHH 300-1500 5.17E+03 2.41 0 6.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1100 Cds-CdCd_Cds-CbH CsJ-CsHH 300-1500 5.25E+02 2.41 0 6.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1101 Cds-CdCd_Cds-CbH CsJ-CsCsH 300-1500 4.21E+02 2.41 0 5.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1102 Cds-CdCd_Cds-CbH CsJ-CsCsCs 300-1500 3.12E+02 2.41 0 3.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1103 Cds-CdCd_Cds-CbH CsJ-CdHH 300-1500 5.45E+03 2.41 0 13.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1104 Cds-CdCd_Cds-CbH CsJ-CdCsH 300-1500 9.50E+02 2.41 0 12.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1105 Cds-CdCd_Cds-CbH CsJ-CdCsCs 300-1500 1.23E+02 2.41 0 11.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1106 Cds-CdCd_Cds-CbH CsJ-CdCdH 300-1500 1.92E+03 2.41 0 17.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1107 Cds-CdCd_Cds-CbH CsJ-CdCdCs 300-1500 6.54E+02 2.41 0 17.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1108 Cds-CdCd_Cds-CbH CsJ-CbHH 300-1500 2.53E+03 2.41 0 10.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1109 Cds-CdCd_Cds-CbH CsJ-CbCsH 300-1500 6.22E+02 2.41 0 10.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1110 Cds-CdCd_Cds-CbH CsJ-CbCsCs 300-1500 9.95E+01 2.41 0 9.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1111 Cds-CdCd_Cds-CbH CsJ-CtHH 300-1500 2.34E+03 2.41 0 10.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1112 Cds-CdCd_Cds-CbH CsJ-CtCsH 300-1500 5.27E+02 2.41 0 10.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1113 Cds-CdCd_Cds-CbH CsJ-CtCsCs 300-1500 1.34E+02 2.41 0 9.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1114 Cds-CdCd_Cds-CbH CdsJ-H 300-1500 3.54E+03 2.41 0 3.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1115 Cds-CdCd_Cds-CbH CdsJ-Cs 300-1500 1.87E+03 2.41 0 2.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1116 Cds-CdCd_Cds-CbH CbJ 300-1500 5.59E+03 2.41 0 0.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1117 Cds-CdCd_Cds-CbCs CsJ-HHH 300-1500 1.10E+04 2.41 0 6.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1118 Cds-CdCd_Cds-CbCs CsJ-CsHH 300-1500 1.11E+03 2.41 0 6.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1119 Cds-CdCd_Cds-CbCs CsJ-CsCsH 300-1500 8.93E+02 2.41 0 4.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1120 Cds-CdCd_Cds-CbCs CsJ-CsCsCs 300-1500 6.61E+02 2.41 0 3.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1121 Cds-CdCd_Cds-CbCs CsJ-CdHH 300-1500 1.16E+04 2.41 0 12.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1122 Cds-CdCd_Cds-CbCs CsJ-CdCsH 300-1500 2.01E+03 2.41 0 12.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1123 Cds-CdCd_Cds-CbCs CsJ-CdCsCs 300-1500 2.61E+02 2.41 0 11.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1124 Cds-CdCd_Cds-CbCs CsJ-CdCdH 300-1500 4.06E+03 2.41 0 17.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1125 Cds-CdCd_Cds-CbCs CsJ-CdCdCs 300-1500 1.39E+03 2.41 0 17.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1126 Cds-CdCd_Cds-CbCs CsJ-CbHH 300-1500 5.36E+03 2.41 0 10.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1127 Cds-CdCd_Cds-CbCs CsJ-CbCsH 300-1500 1.32E+03 2.41 0 9.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1128 Cds-CdCd_Cds-CbCs CsJ-CbCsCs 300-1500 2.11E+02 2.41 0 9.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1129 Cds-CdCd_Cds-CbCs CsJ-CtHH 300-1500 4.96E+03 2.41 0 10.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1130 Cds-CdCd_Cds-CbCs CsJ-CtCsH 300-1500 1.12E+03 2.41 0 9.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1131 Cds-CdCd_Cds-CbCs CsJ-CtCsCs 300-1500 2.85E+02 2.41 0 9.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1132 Cds-CdCd_Cds-CbCs CdsJ-H 300-1500 7.50E+03 2.41 0 2.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1133 Cds-CdCd_Cds-CbCs CdsJ-Cs 300-1500 3.98E+03 2.41 0 2.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1134 Cds-CdCd_Cds-CbCs CbJ 300-1500 1.18E+04 2.41 0 0.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1135 Cds-CdCd_Cds-CtH CsJ-HHH 300-1500 2.05E+04 2.41 0 4.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1136 Cds-CdCd_Cds-CtH CsJ-CsHH 300-1500 2.08E+03 2.41 0 4.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1137 Cds-CdCd_Cds-CtH CsJ-CsCsH 300-1500 1.67E+03 2.41 0 3.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1138 Cds-CdCd_Cds-CtH CsJ-CsCsCs 300-1500 1.24E+03 2.41 0 1.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1139 Cds-CdCd_Cds-CtH CsJ-CdHH 300-1500 2.17E+04 2.41 0 11.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1140 Cds-CdCd_Cds-CtH CsJ-CdCsH 300-1500 3.77E+03 2.41 0 10.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1141 Cds-CdCd_Cds-CtH CsJ-CdCsCs 300-1500 4.88E+02 2.41 0 10.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1142 Cds-CdCd_Cds-CtH CsJ-CdCdH 300-1500 7.61E+03 2.41 0 15.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1143 Cds-CdCd_Cds-CtH CsJ-CdCdCs 300-1500 2.60E+03 2.41 0 15.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1144 Cds-CdCd_Cds-CtH CsJ-CbHH 300-1500 1.00E+04 2.41 0 8.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1145 Cds-CdCd_Cds-CtH CsJ-CbCsH 300-1500 2.47E+03 2.41 0 8.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1146 Cds-CdCd_Cds-CtH CsJ-CbCsCs 300-1500 3.95E+02 2.41 0 7.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1147 Cds-CdCd_Cds-CtH CsJ-CtHH 300-1500 9.28E+03 2.41 0 8.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1148 Cds-CdCd_Cds-CtH CsJ-CtCsH 300-1500 2.09E+03 2.41 0 8.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1149 Cds-CdCd_Cds-CtH CsJ-CtCsCs 300-1500 5.34E+02 2.41 0 7.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1150 Cds-CdCd_Cds-CtH CdsJ-H 300-1500 1.40E+04 2.41 0 1.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1151 Cds-CdCd_Cds-CtH CdsJ-Cs 300-1500 7.44E+03 2.41 0 0.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1152 Cds-CdCd_Cds-CtH CbJ 300-1500 2.22E+04 2.41 0 -1.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1153 Cds-CdCd_Cds-CtCs CsJ-HHH 300-1500 2.10E+04 2.41 0 4.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1154 Cds-CdCd_Cds-CtCs CsJ-CsHH 300-1500 2.13E+03 2.41 0 4.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1155 Cds-CdCd_Cds-CtCs CsJ-CsCsH 300-1500 1.71E+03 2.41 0 3.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1156 Cds-CdCd_Cds-CtCs CsJ-CsCsCs 300-1500 1.27E+03 2.41 0 1.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1157 Cds-CdCd_Cds-CtCs CsJ-CdHH 300-1500 2.22E+04 2.41 0 11.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1158 Cds-CdCd_Cds-CtCs CsJ-CdCsH 300-1500 3.86E+03 2.41 0 10.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1159 Cds-CdCd_Cds-CtCs CsJ-CdCsCs 300-1500 4.99E+02 2.41 0 9.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1160 Cds-CdCd_Cds-CtCs CsJ-CdCdH 300-1500 7.79E+03 2.41 0 15.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1161 Cds-CdCd_Cds-CtCs CsJ-CdCdCs 300-1500 2.66E+03 2.41 0 15.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1162 Cds-CdCd_Cds-CtCs CsJ-CbHH 300-1500 1.03E+04 2.41 0 8.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1163 Cds-CdCd_Cds-CtCs CsJ-CbCsH 300-1500 2.53E+03 2.41 0 8.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1164 Cds-CdCd_Cds-CtCs CsJ-CbCsCs 300-1500 4.05E+02 2.41 0 7.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1165 Cds-CdCd_Cds-CtCs CsJ-CtHH 300-1500 9.50E+03 2.41 0 8.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1166 Cds-CdCd_Cds-CtCs CsJ-CtCsH 300-1500 2.14E+03 2.41 0 8.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1167 Cds-CdCd_Cds-CtCs CsJ-CtCsCs 300-1500 5.47E+02 2.41 0 7.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1168 Cds-CdCd_Cds-CtCs CdsJ-H 300-1500 1.44E+04 2.41 0 1.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1169 Cds-CdCd_Cds-CtCs CdsJ-Cs 300-1500 7.62E+03 2.41 0 0.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1170 Cds-CdCd_Cds-CtCs CbJ 300-1500 2.27E+04 2.41 0 -1.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1171 Cds-CdCd_Ca CsJ-HHH 300-1500 1.52E+04 2.41 0 8.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1172 Cds-CdCd_Ca CsJ-CsHH 300-1500 1.54E+03 2.41 0 8.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1173 Cds-CdCd_Ca CsJ-CsCsH 300-1500 1.24E+03 2.41 0 6.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1174 Cds-CdCd_Ca CsJ-CsCsCs 300-1500 9.15E+02 2.41 0 5.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1175 Cds-CdCd_Ca CsJ-CdHH 300-1500 1.60E+04 2.41 0 15.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1176 Cds-CdCd_Ca CsJ-CdCsH 300-1500 2.79E+03 2.41 0 14.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1177 Cds-CdCd_Ca CsJ-CdCsCs 300-1500 3.60E+02 2.41 0 13.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1178 Cds-CdCd_Ca CsJ-CdCdH 300-1500 5.62E+03 2.41 0 19.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1179 Cds-CdCd_Ca CsJ-CdCdCs 300-1500 1.92E+03 2.41 0 19.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1180 Cds-CdCd_Ca CsJ-CbHH 300-1500 7.42E+03 2.41 0 12.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1181 Cds-CdCd_Ca CsJ-CbCsH 300-1500 1.82E+03 2.41 0 12.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1182 Cds-CdCd_Ca CsJ-CbCsCs 300-1500 2.92E+02 2.41 0 11.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1183 Cds-CdCd_Ca CsJ-CtHH 300-1500 6.86E+03 2.41 0 12.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1184 Cds-CdCd_Ca CsJ-CtCsH 300-1500 1.55E+03 2.41 0 12.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1185 Cds-CdCd_Ca CsJ-CtCsCs 300-1500 3.94E+02 2.41 0 11.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1186 Cds-CdCd_Ca CdsJ-H 300-1500 1.04E+04 2.41 0 4.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1187 Cds-CdCd_Ca CdsJ-Cs 300-1500 5.50E+03 2.41 0 4.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1188 Cds-CdCd_Ca CbJ 300-1500 1.64E+04 2.41 0 2.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1189 Cds-CbH_Cds-HH CsJ-HHH 300-1500 3.75E+03 2.41 0 8.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1190 Cds-CbH_Cds-HH CsJ-CsHH 300-1500 3.80E+02 2.41 0 7.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1191 Cds-CbH_Cds-HH CsJ-CsCsH 300-1500 3.05E+02 2.41 0 6.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1192 Cds-CbH_Cds-HH CsJ-CsCsCs 300-1500 2.26E+02 2.41 0 5.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1193 Cds-CbH_Cds-HH CsJ-CdHH 300-1500 3.95E+03 2.41 0 14.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1194 Cds-CbH_Cds-HH CsJ-CdCsH 300-1500 6.88E+02 2.41 0 14.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1195 Cds-CbH_Cds-HH CsJ-CdCsCs 300-1500 8.90E+01 2.41 0 13.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1196 Cds-CbH_Cds-HH CsJ-CdCdH 300-1500 1.39E+03 2.41 0 19.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1197 Cds-CbH_Cds-HH CsJ-CdCdCs 300-1500 4.74E+02 2.41 0 19.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1198 Cds-CbH_Cds-HH CsJ-CbHH 300-1500 1.83E+03 2.41 0 12.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1199 Cds-CbH_Cds-HH CsJ-CbCsH 300-1500 4.51E+02 2.41 0 11.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1200 Cds-CbH_Cds-HH CsJ-CbCsCs 300-1500 7.21E+01 2.41 0 11.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1201 Cds-CbH_Cds-HH CsJ-CtHH 300-1500 1.69E+03 2.41 0 12.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1202 Cds-CbH_Cds-HH CsJ-CtCsH 300-1500 3.82E+02 2.41 0 11.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1203 Cds-CbH_Cds-HH CsJ-CtCsCs 300-1500 9.75E+01 2.41 0 11.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1204 Cds-CbH_Cds-HH CdsJ-H 300-1500 2.56E+03 2.41 0 4.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1205 Cds-CbH_Cds-HH CdsJ-Cs 300-1500 1.36E+03 2.41 0 4.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1206 Cds-CbH_Cds-HH CbJ 300-1500 4.05E+03 2.41 0 2.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1207 Cds-CbH_Cds-CsH CsJ-HHH 300-1500 3.76E+03 2.41 0 8.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1208 Cds-CbH_Cds-CsH CsJ-CsHH 300-1500 3.82E+02 2.41 0 7.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1209 Cds-CbH_Cds-CsH CsJ-CsCsH 300-1500 3.06E+02 2.41 0 6.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1210 Cds-CbH_Cds-CsH CsJ-CsCsCs 300-1500 2.27E+02 2.41 0 5.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1211 Cds-CbH_Cds-CsH CsJ-CdHH 300-1500 3.97E+03 2.41 0 14.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1212 Cds-CbH_Cds-CsH CsJ-CdCsH 300-1500 6.91E+02 2.41 0 14.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1213 Cds-CbH_Cds-CsH CsJ-CdCsCs 300-1500 8.94E+01 2.41 0 13.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1214 Cds-CbH_Cds-CsH CsJ-CdCdH 300-1500 1.39E+03 2.41 0 19.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1215 Cds-CbH_Cds-CsH CsJ-CdCdCs 300-1500 4.76E+02 2.41 0 18.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1216 Cds-CbH_Cds-CsH CsJ-CbHH 300-1500 1.84E+03 2.41 0 12.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1217 Cds-CbH_Cds-CsH CsJ-CbCsH 300-1500 4.53E+02 2.41 0 11.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1218 Cds-CbH_Cds-CsH CsJ-CbCsCs 300-1500 7.24E+01 2.41 0 10.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1219 Cds-CbH_Cds-CsH CsJ-CtHH 300-1500 1.70E+03 2.41 0 11.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1220 Cds-CbH_Cds-CsH CsJ-CtCsH 300-1500 3.84E+02 2.41 0 11.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1221 Cds-CbH_Cds-CsH CsJ-CtCsCs 300-1500 9.79E+01 2.41 0 10.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1222 Cds-CbH_Cds-CsH CdsJ-H 300-1500 2.57E+03 2.41 0 4.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1223 Cds-CbH_Cds-CsH CdsJ-Cs 300-1500 1.36E+03 2.41 0 4.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1224 Cds-CbH_Cds-CsH CbJ 300-1500 4.06E+03 2.41 0 2.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1225 Cds-CbH_Cds-CsCs CsJ-HHH 300-1500 4.73E+03 2.41 0 7.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1226 Cds-CbH_Cds-CsCs CsJ-CsHH 300-1500 4.81E+02 2.41 0 7.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1227 Cds-CbH_Cds-CsCs CsJ-CsCsH 300-1500 3.86E+02 2.41 0 6.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1228 Cds-CbH_Cds-CsCs CsJ-CsCsCs 300-1500 2.86E+02 2.41 0 4.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1229 Cds-CbH_Cds-CsCs CsJ-CdHH 300-1500 4.99E+03 2.41 0 14.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1230 Cds-CbH_Cds-CsCs CsJ-CdCsH 300-1500 8.70E+02 2.41 0 13.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1231 Cds-CbH_Cds-CsCs CsJ-CdCsCs 300-1500 1.12E+02 2.41 0 12.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1232 Cds-CbH_Cds-CsCs CsJ-CdCdH 300-1500 1.75E+03 2.41 0 18.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1233 Cds-CbH_Cds-CsCs CsJ-CdCdCs 300-1500 5.99E+02 2.41 0 18.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1234 Cds-CbH_Cds-CsCs CsJ-CbHH 300-1500 2.32E+03 2.41 0 11.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1235 Cds-CbH_Cds-CsCs CsJ-CbCsH 300-1500 5.70E+02 2.41 0 11.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1236 Cds-CbH_Cds-CsCs CsJ-CbCsCs 300-1500 9.11E+01 2.41 0 10.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1237 Cds-CbH_Cds-CsCs CsJ-CtHH 300-1500 2.14E+03 2.41 0 11.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1238 Cds-CbH_Cds-CsCs CsJ-CtCsH 300-1500 4.83E+02 2.41 0 11.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1239 Cds-CbH_Cds-CsCs CsJ-CtCsCs 300-1500 1.23E+02 2.41 0 10.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1240 Cds-CbH_Cds-CsCs CdsJ-H 300-1500 3.24E+03 2.41 0 4.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1241 Cds-CbH_Cds-CsCs CdsJ-Cs 300-1500 1.72E+03 2.41 0 3.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1242 Cds-CbH_Cds-CsCs CbJ 300-1500 5.11E+03 2.41 0 1.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1243 Cds-CbH_Cds-CdH CsJ-HHH 300-1500 4.22E+03 2.41 0 5.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1244 Cds-CbH_Cds-CdH CsJ-CsHH 300-1500 4.29E+02 2.41 0 4.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1245 Cds-CbH_Cds-CdH CsJ-CsCsH 300-1500 3.44E+02 2.41 0 3.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1246 Cds-CbH_Cds-CdH CsJ-CsCsCs 300-1500 2.55E+02 2.41 0 2.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1247 Cds-CbH_Cds-CdH CsJ-CdHH 300-1500 4.46E+03 2.41 0 11.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1248 Cds-CbH_Cds-CdH CsJ-CdCsH 300-1500 7.76E+02 2.41 0 11.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1249 Cds-CbH_Cds-CdH CsJ-CdCsCs 300-1500 1.00E+02 2.41 0 10.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1250 Cds-CbH_Cds-CdH CsJ-CdCdH 300-1500 1.57E+03 2.41 0 16.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1251 Cds-CbH_Cds-CdH CsJ-CdCdCs 300-1500 5.34E+02 2.41 0 16.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1252 Cds-CbH_Cds-CdH CsJ-CbHH 300-1500 2.07E+03 2.41 0 9.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1253 Cds-CbH_Cds-CdH CsJ-CbCsH 300-1500 5.08E+02 2.41 0 8.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1254 Cds-CbH_Cds-CdH CsJ-CbCsCs 300-1500 8.13E+01 2.41 0 8.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1255 Cds-CbH_Cds-CdH CsJ-CtHH 300-1500 1.91E+03 2.41 0 9.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1256 Cds-CbH_Cds-CdH CsJ-CtCsH 300-1500 4.31E+02 2.41 0 8.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1257 Cds-CbH_Cds-CdH CsJ-CtCsCs 300-1500 1.10E+02 2.41 0 8.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1258 Cds-CbH_Cds-CdH CdsJ-H 300-1500 2.89E+03 2.41 0 1.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1259 Cds-CbH_Cds-CdH CdsJ-Cs 300-1500 1.53E+03 2.41 0 1.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1260 Cds-CbH_Cds-CdH CbJ 300-1500 4.56E+03 2.41 0 -0.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1261 Cds-CbH_Cds-CdCs CsJ-HHH 300-1500 4.79E+03 2.41 0 5.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1262 Cds-CbH_Cds-CdCs CsJ-CsHH 300-1500 4.87E+02 2.41 0 4.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1263 Cds-CbH_Cds-CdCs CsJ-CsCsH 300-1500 3.91E+02 2.41 0 3.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1264 Cds-CbH_Cds-CdCs CsJ-CsCsCs 300-1500 2.89E+02 2.41 0 1.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1265 Cds-CbH_Cds-CdCs CsJ-CdHH 300-1500 5.06E+03 2.41 0 11.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1266 Cds-CbH_Cds-CdCs CsJ-CdCsH 300-1500 8.81E+02 2.41 0 11.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1267 Cds-CbH_Cds-CdCs CsJ-CdCsCs 300-1500 1.14E+02 2.41 0 10.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1268 Cds-CbH_Cds-CdCs CsJ-CdCdH 300-1500 1.78E+03 2.41 0 15.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1269 Cds-CbH_Cds-CdCs CsJ-CdCdCs 300-1500 6.06E+02 2.41 0 15.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1270 Cds-CbH_Cds-CdCs CsJ-CbHH 300-1500 2.35E+03 2.41 0 8.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1271 Cds-CbH_Cds-CdCs CsJ-CbCsH 300-1500 5.77E+02 2.41 0 8.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1272 Cds-CbH_Cds-CdCs CsJ-CbCsCs 300-1500 9.23E+01 2.41 0 7.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1273 Cds-CbH_Cds-CdCs CsJ-CtHH 300-1500 2.17E+03 2.41 0 8.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1274 Cds-CbH_Cds-CdCs CsJ-CtCsH 300-1500 4.89E+02 2.41 0 8.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1275 Cds-CbH_Cds-CdCs CsJ-CtCsCs 300-1500 1.25E+02 2.41 0 7.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1276 Cds-CbH_Cds-CdCs CdsJ-H 300-1500 3.28E+03 2.41 0 1.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1277 Cds-CbH_Cds-CdCs CdsJ-Cs 300-1500 1.74E+03 2.41 0 0.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1278 Cds-CbH_Cds-CdCs CbJ 300-1500 5.18E+03 2.41 0 -1.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1279 Cds-CbH_Cds-CdCd CsJ-HHH 300-1500 1.46E+04 2.41 0 4.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1280 Cds-CbH_Cds-CdCd CsJ-CsHH 300-1500 1.48E+03 2.41 0 3.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1281 Cds-CbH_Cds-CdCd CsJ-CsCsH 300-1500 1.19E+03 2.41 0 2.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1282 Cds-CbH_Cds-CdCd CsJ-CsCsCs 300-1500 8.81E+02 2.41 0 0.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1283 Cds-CbH_Cds-CdCd CsJ-CdHH 300-1500 1.54E+04 2.41 0 10.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1284 Cds-CbH_Cds-CdCd CsJ-CdCsH 300-1500 2.68E+03 2.41 0 10.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1285 Cds-CbH_Cds-CdCd CsJ-CdCsCs 300-1500 3.47E+02 2.41 0 9.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1286 Cds-CbH_Cds-CdCd CsJ-CdCdH 300-1500 5.41E+03 2.41 0 14.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1287 Cds-CbH_Cds-CdCd CsJ-CdCdCs 300-1500 1.85E+03 2.41 0 14.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1288 Cds-CbH_Cds-CdCd CsJ-CbHH 300-1500 7.15E+03 2.41 0 8.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1289 Cds-CbH_Cds-CdCd CsJ-CbCsH 300-1500 1.76E+03 2.41 0 7.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1290 Cds-CbH_Cds-CdCd CsJ-CbCsCs 300-1500 2.81E+02 2.41 0 6.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1291 Cds-CbH_Cds-CdCd CsJ-CtHH 300-1500 6.61E+03 2.41 0 7.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1292 Cds-CbH_Cds-CdCd CsJ-CtCsH 300-1500 1.49E+03 2.41 0 7.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1293 Cds-CbH_Cds-CdCd CsJ-CtCsCs 300-1500 3.80E+02 2.41 0 6.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1294 Cds-CbH_Cds-CdCd CdsJ-H 300-1500 9.99E+03 2.41 0 0.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1295 Cds-CbH_Cds-CdCd CdsJ-Cs 300-1500 5.30E+03 2.41 0 0.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1296 Cds-CbH_Cds-CdCd CbJ 300-1500 1.58E+04 2.41 0 -2.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1297 Cds-CbH_Cds-CbH CsJ-HHH 300-1500 1.38E+03 2.41 0 7.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1298 Cds-CbH_Cds-CbH CsJ-CsHH 300-1500 1.40E+02 2.41 0 6.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1299 Cds-CbH_Cds-CbH CsJ-CsCsH 300-1500 1.12E+02 2.41 0 5.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1300 Cds-CbH_Cds-CbH CsJ-CsCsCs 300-1500 8.32E+01 2.41 0 4.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1301 Cds-CbH_Cds-CbH CsJ-CdHH 300-1500 1.45E+03 2.41 0 13.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1302 Cds-CbH_Cds-CbH CsJ-CdCsH 300-1500 2.53E+02 2.41 0 13.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1303 Cds-CbH_Cds-CbH CsJ-CdCsCs 300-1500 3.28E+01 2.41 0 12.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1304 Cds-CbH_Cds-CbH CsJ-CdCdH 300-1500 5.11E+02 2.41 0 18.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1305 Cds-CbH_Cds-CbH CsJ-CdCdCs 300-1500 1.74E+02 2.41 0 17.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1306 Cds-CbH_Cds-CbH CsJ-CbHH 300-1500 6.75E+02 2.41 0 11.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1307 Cds-CbH_Cds-CbH CsJ-CbCsH 300-1500 1.66E+02 2.41 0 10.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1308 Cds-CbH_Cds-CbH CsJ-CbCsCs 300-1500 2.65E+01 2.41 0 9.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1309 Cds-CbH_Cds-CbH CsJ-CtHH 300-1500 6.24E+02 2.41 0 10.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1310 Cds-CbH_Cds-CbH CsJ-CtCsH 300-1500 1.41E+02 2.41 0 10.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1311 Cds-CbH_Cds-CbH CsJ-CtCsCs 300-1500 3.59E+01 2.41 0 9.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1312 Cds-CbH_Cds-CbH CdsJ-H 300-1500 9.43E+02 2.41 0 3.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1313 Cds-CbH_Cds-CbH CdsJ-Cs 300-1500 5.00E+02 2.41 0 3.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1314 Cds-CbH_Cds-CbH CbJ 300-1500 1.49E+03 2.41 0 0.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1315 Cds-CbH_Cds-CbCs CsJ-HHH 300-1500 2.92E+03 2.41 0 7.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1316 Cds-CbH_Cds-CbCs CsJ-CsHH 300-1500 2.97E+02 2.41 0 6.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1317 Cds-CbH_Cds-CbCs CsJ-CsCsH 300-1500 2.38E+02 2.41 0 5.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1318 Cds-CbH_Cds-CbCs CsJ-CsCsCs 300-1500 1.76E+02 2.41 0 3.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1319 Cds-CbH_Cds-CbCs CsJ-CdHH 300-1500 3.09E+03 2.41 0 13.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1320 Cds-CbH_Cds-CbCs CsJ-CdCsH 300-1500 5.37E+02 2.41 0 13.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1321 Cds-CbH_Cds-CbCs CsJ-CdCsCs 300-1500 6.95E+01 2.41 0 12.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1322 Cds-CbH_Cds-CbCs CsJ-CdCdH 300-1500 1.08E+03 2.41 0 17.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1323 Cds-CbH_Cds-CbCs CsJ-CdCdCs 300-1500 3.70E+02 2.41 0 17.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1324 Cds-CbH_Cds-CbCs CsJ-CbHH 300-1500 1.43E+03 2.41 0 10.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1325 Cds-CbH_Cds-CbCs CsJ-CbCsH 300-1500 3.52E+02 2.41 0 10.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1326 Cds-CbH_Cds-CbCs CsJ-CbCsCs 300-1500 5.63E+01 2.41 0 9.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1327 Cds-CbH_Cds-CbCs CsJ-CtHH 300-1500 1.32E+03 2.41 0 10.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1328 Cds-CbH_Cds-CbCs CsJ-CtCsH 300-1500 2.98E+02 2.41 0 10.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1329 Cds-CbH_Cds-CbCs CsJ-CtCsCs 300-1500 7.61E+01 2.41 0 9.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1330 Cds-CbH_Cds-CbCs CdsJ-H 300-1500 2.00E+03 2.41 0 3.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1331 Cds-CbH_Cds-CbCs CdsJ-Cs 300-1500 1.06E+03 2.41 0 2.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1332 Cds-CbH_Cds-CbCs CbJ 300-1500 3.16E+03 2.41 0 0.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1333 Cds-CbH_Cds-CtH CsJ-HHH 300-1500 5.47E+03 2.41 0 5.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1334 Cds-CbH_Cds-CtH CsJ-CsHH 300-1500 5.56E+02 2.41 0 4.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1335 Cds-CbH_Cds-CtH CsJ-CsCsH 300-1500 4.46E+02 2.41 0 3.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1336 Cds-CbH_Cds-CtH CsJ-CsCsCs 300-1500 3.30E+02 2.41 0 2.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1337 Cds-CbH_Cds-CtH CsJ-CdHH 300-1500 5.78E+03 2.41 0 11.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1338 Cds-CbH_Cds-CtH CsJ-CdCsH 300-1500 1.01E+03 2.41 0 11.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1339 Cds-CbH_Cds-CtH CsJ-CdCsCs 300-1500 1.30E+02 2.41 0 10.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1340 Cds-CbH_Cds-CtH CsJ-CdCdH 300-1500 2.03E+03 2.41 0 16.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1341 Cds-CbH_Cds-CtH CsJ-CdCdCs 300-1500 6.93E+02 2.41 0 15.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1342 Cds-CbH_Cds-CtH CsJ-CbHH 300-1500 2.68E+03 2.41 0 9.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1343 Cds-CbH_Cds-CtH CsJ-CbCsH 300-1500 6.59E+02 2.41 0 8.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1344 Cds-CbH_Cds-CtH CsJ-CbCsCs 300-1500 1.05E+02 2.41 0 8.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1345 Cds-CbH_Cds-CtH CsJ-CtHH 300-1500 2.48E+03 2.41 0 9.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1346 Cds-CbH_Cds-CtH CsJ-CtCsH 300-1500 5.58E+02 2.41 0 8.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1347 Cds-CbH_Cds-CtH CsJ-CtCsCs 300-1500 1.42E+02 2.41 0 7.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1348 Cds-CbH_Cds-CtH CdsJ-H 300-1500 3.75E+03 2.41 0 1.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1349 Cds-CbH_Cds-CtH CdsJ-Cs 300-1500 1.99E+03 2.41 0 1.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1350 Cds-CbH_Cds-CtH CbJ 300-1500 5.92E+03 2.41 0 -0.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1351 Cds-CbH_Cds-CtCs CsJ-HHH 300-1500 5.60E+03 2.41 0 5.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1352 Cds-CbH_Cds-CtCs CsJ-CsHH 300-1500 5.69E+02 2.41 0 4.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1353 Cds-CbH_Cds-CtCs CsJ-CsCsH 300-1500 4.57E+02 2.41 0 3.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1354 Cds-CbH_Cds-CtCs CsJ-CsCsCs 300-1500 3.38E+02 2.41 0 2.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1355 Cds-CbH_Cds-CtCs CsJ-CdHH 300-1500 5.91E+03 2.41 0 11.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1356 Cds-CbH_Cds-CtCs CsJ-CdCsH 300-1500 1.03E+03 2.41 0 11.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1357 Cds-CbH_Cds-CtCs CsJ-CdCsCs 300-1500 1.33E+02 2.41 0 10.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1358 Cds-CbH_Cds-CtCs CsJ-CdCdH 300-1500 2.08E+03 2.41 0 16.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1359 Cds-CbH_Cds-CtCs CsJ-CdCdCs 300-1500 7.09E+02 2.41 0 15.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1360 Cds-CbH_Cds-CtCs CsJ-CbHH 300-1500 2.74E+03 2.41 0 9.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1361 Cds-CbH_Cds-CtCs CsJ-CbCsH 300-1500 6.74E+02 2.41 0 8.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1362 Cds-CbH_Cds-CtCs CsJ-CbCsCs 300-1500 1.08E+02 2.41 0 7.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1363 Cds-CbH_Cds-CtCs CsJ-CtHH 300-1500 2.53E+03 2.41 0 8.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1364 Cds-CbH_Cds-CtCs CsJ-CtCsH 300-1500 5.72E+02 2.41 0 8.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1365 Cds-CbH_Cds-CtCs CsJ-CtCsCs 300-1500 1.46E+02 2.41 0 7.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1366 Cds-CbH_Cds-CtCs CdsJ-H 300-1500 3.83E+03 2.41 0 1.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1367 Cds-CbH_Cds-CtCs CdsJ-Cs 300-1500 2.03E+03 2.41 0 1.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1368 Cds-CbH_Cds-CtCs CbJ 300-1500 6.06E+03 2.41 0 -1.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1369 Cds-CbH_Ca CsJ-HHH 300-1500 4.04E+03 2.41 0 9.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1370 Cds-CbH_Ca CsJ-CsHH 300-1500 4.11E+02 2.41 0 8.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1371 Cds-CbH_Ca CsJ-CsCsH 300-1500 3.30E+02 2.41 0 7.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1372 Cds-CbH_Ca CsJ-CsCsCs 300-1500 2.44E+02 2.41 0 5.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1373 Cds-CbH_Ca CsJ-CdHH 300-1500 4.27E+03 2.41 0 15.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1374 Cds-CbH_Ca CsJ-CdCsH 300-1500 7.43E+02 2.41 0 15.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1375 Cds-CbH_Ca CsJ-CdCsCs 300-1500 9.61E+01 2.41 0 14.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1376 Cds-CbH_Ca CsJ-CdCdH 300-1500 1.50E+03 2.41 0 19.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1377 Cds-CbH_Ca CsJ-CdCdCs 300-1500 5.12E+02 2.41 0 19.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1378 Cds-CbH_Ca CsJ-CbHH 300-1500 1.98E+03 2.41 0 13.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1379 Cds-CbH_Ca CsJ-CbCsH 300-1500 4.87E+02 2.41 0 12.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1380 Cds-CbH_Ca CsJ-CbCsCs 300-1500 7.79E+01 2.41 0 11.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1381 Cds-CbH_Ca CsJ-CtHH 300-1500 1.83E+03 2.41 0 12.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1382 Cds-CbH_Ca CsJ-CtCsH 300-1500 4.13E+02 2.41 0 12.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1383 Cds-CbH_Ca CsJ-CtCsCs 300-1500 1.05E+02 2.41 0 11.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1384 Cds-CbH_Ca CdsJ-H 300-1500 2.77E+03 2.41 0 5.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1385 Cds-CbH_Ca CdsJ-Cs 300-1500 1.47E+03 2.41 0 5.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1386 Cds-CbH_Ca CbJ 300-1500 4.37E+03 2.41 0 2.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1387 Cds-CbCs_Cds-HH CsJ-HHH 300-1500 3.34E+03 2.41 0 9.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1388 Cds-CbCs_Cds-HH CsJ-CsHH 300-1500 3.39E+02 2.41 0 9.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1389 Cds-CbCs_Cds-HH CsJ-CsCsH 300-1500 2.72E+02 2.41 0 7.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1390 Cds-CbCs_Cds-HH CsJ-CsCsCs 300-1500 2.01E+02 2.41 0 6.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1391 Cds-CbCs_Cds-HH CsJ-CdHH 300-1500 3.52E+03 2.41 0 16.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1392 Cds-CbCs_Cds-HH CsJ-CdCsH 300-1500 6.13E+02 2.41 0 15.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1393 Cds-CbCs_Cds-HH CsJ-CdCsCs 300-1500 7.93E+01 2.41 0 14.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1394 Cds-CbCs_Cds-HH CsJ-CdCdH 300-1500 1.24E+03 2.41 0 20.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1395 Cds-CbCs_Cds-HH CsJ-CdCdCs 300-1500 4.22E+02 2.41 0 20.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1396 Cds-CbCs_Cds-HH CsJ-CbHH 300-1500 1.63E+03 2.41 0 13.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1397 Cds-CbCs_Cds-HH CsJ-CbCsH 300-1500 4.02E+02 2.41 0 13.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1398 Cds-CbCs_Cds-HH CsJ-CbCsCs 300-1500 6.42E+01 2.41 0 12.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1399 Cds-CbCs_Cds-HH CsJ-CtHH 300-1500 1.51E+03 2.41 0 13.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1400 Cds-CbCs_Cds-HH CsJ-CtCsH 300-1500 3.40E+02 2.41 0 12.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1401 Cds-CbCs_Cds-HH CsJ-CtCsCs 300-1500 8.68E+01 2.41 0 12.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1402 Cds-CbCs_Cds-HH CdsJ-H 300-1500 2.28E+03 2.41 0 5.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1403 Cds-CbCs_Cds-HH CdsJ-Cs 300-1500 1.21E+03 2.41 0 5.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1404 Cds-CbCs_Cds-HH CbJ 300-1500 3.61E+03 2.41 0 3.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1405 Cds-CbCs_Cds-CsH CsJ-HHH 300-1500 3.35E+03 2.41 0 9.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1406 Cds-CbCs_Cds-CsH CsJ-CsHH 300-1500 3.40E+02 2.41 0 8.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1407 Cds-CbCs_Cds-CsH CsJ-CsCsH 300-1500 2.73E+02 2.41 0 7.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1408 Cds-CbCs_Cds-CsH CsJ-CsCsCs 300-1500 2.02E+02 2.41 0 6.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1409 Cds-CbCs_Cds-CsH CsJ-CdHH 300-1500 3.54E+03 2.41 0 15.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1410 Cds-CbCs_Cds-CsH CsJ-CdCsH 300-1500 6.16E+02 2.41 0 15.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1411 Cds-CbCs_Cds-CsH CsJ-CdCsCs 300-1500 7.96E+01 2.41 0 14.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1412 Cds-CbCs_Cds-CsH CsJ-CdCdH 300-1500 1.24E+03 2.41 0 20.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1413 Cds-CbCs_Cds-CsH CsJ-CdCdCs 300-1500 4.24E+02 2.41 0 20.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1414 Cds-CbCs_Cds-CsH CsJ-CbHH 300-1500 1.64E+03 2.41 0 13.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1415 Cds-CbCs_Cds-CsH CsJ-CbCsH 300-1500 4.03E+02 2.41 0 12.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1416 Cds-CbCs_Cds-CsH CsJ-CbCsCs 300-1500 6.45E+01 2.41 0 12.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1417 Cds-CbCs_Cds-CsH CsJ-CtHH 300-1500 1.52E+03 2.41 0 13.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1418 Cds-CbCs_Cds-CsH CsJ-CtCsH 300-1500 3.42E+02 2.41 0 12.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1419 Cds-CbCs_Cds-CsH CsJ-CtCsCs 300-1500 8.72E+01 2.41 0 11.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1420 Cds-CbCs_Cds-CsH CdsJ-H 300-1500 2.29E+03 2.41 0 5.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1421 Cds-CbCs_Cds-CsH CdsJ-Cs 300-1500 1.22E+03 2.41 0 5.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1422 Cds-CbCs_Cds-CsH CbJ 300-1500 3.62E+03 2.41 0 3.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1423 Cds-CbCs_Cds-CsCs CsJ-HHH 300-1500 4.21E+03 2.41 0 9.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1424 Cds-CbCs_Cds-CsCs CsJ-CsHH 300-1500 4.28E+02 2.41 0 8.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1425 Cds-CbCs_Cds-CsCs CsJ-CsCsH 300-1500 3.43E+02 2.41 0 7.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1426 Cds-CbCs_Cds-CsCs CsJ-CsCsCs 300-1500 2.54E+02 2.41 0 5.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1427 Cds-CbCs_Cds-CsCs CsJ-CdHH 300-1500 4.45E+03 2.41 0 15.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1428 Cds-CbCs_Cds-CsCs CsJ-CdCsH 300-1500 7.75E+02 2.41 0 15.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1429 Cds-CbCs_Cds-CsCs CsJ-CdCsCs 300-1500 1.00E+02 2.41 0 14.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1430 Cds-CbCs_Cds-CsCs CsJ-CdCdH 300-1500 1.56E+03 2.41 0 19.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1431 Cds-CbCs_Cds-CsCs CsJ-CdCdCs 300-1500 5.33E+02 2.41 0 19.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1432 Cds-CbCs_Cds-CsCs CsJ-CbHH 300-1500 2.06E+03 2.41 0 13.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1433 Cds-CbCs_Cds-CsCs CsJ-CbCsH 300-1500 5.07E+02 2.41 0 12.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1434 Cds-CbCs_Cds-CsCs CsJ-CbCsCs 300-1500 8.12E+01 2.41 0 11.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1435 Cds-CbCs_Cds-CsCs CsJ-CtHH 300-1500 1.91E+03 2.41 0 12.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1436 Cds-CbCs_Cds-CsCs CsJ-CtCsH 300-1500 4.30E+02 2.41 0 12.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1437 Cds-CbCs_Cds-CsCs CsJ-CtCsCs 300-1500 1.10E+02 2.41 0 11.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1438 Cds-CbCs_Cds-CsCs CdsJ-H 300-1500 2.88E+03 2.41 0 5.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1439 Cds-CbCs_Cds-CsCs CdsJ-Cs 300-1500 1.53E+03 2.41 0 5.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1440 Cds-CbCs_Cds-CsCs CbJ 300-1500 4.56E+03 2.41 0 2.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1441 Cds-CbCs_Cds-CdH CsJ-HHH 300-1500 3.76E+03 2.41 0 6.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1442 Cds-CbCs_Cds-CdH CsJ-CsHH 300-1500 3.82E+02 2.41 0 6.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1443 Cds-CbCs_Cds-CdH CsJ-CsCsH 300-1500 3.07E+02 2.41 0 4.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1444 Cds-CbCs_Cds-CdH CsJ-CsCsCs 300-1500 2.27E+02 2.41 0 3.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1445 Cds-CbCs_Cds-CdH CsJ-CdHH 300-1500 3.97E+03 2.41 0 12.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1446 Cds-CbCs_Cds-CdH CsJ-CdCsH 300-1500 6.91E+02 2.41 0 12.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1447 Cds-CbCs_Cds-CdH CsJ-CdCsCs 300-1500 8.94E+01 2.41 0 11.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1448 Cds-CbCs_Cds-CdH CsJ-CdCdH 300-1500 1.39E+03 2.41 0 17.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1449 Cds-CbCs_Cds-CdH CsJ-CdCdCs 300-1500 4.76E+02 2.41 0 17.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1450 Cds-CbCs_Cds-CdH CsJ-CbHH 300-1500 1.84E+03 2.41 0 10.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1451 Cds-CbCs_Cds-CdH CsJ-CbCsH 300-1500 4.53E+02 2.41 0 9.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1452 Cds-CbCs_Cds-CdH CsJ-CbCsCs 300-1500 7.24E+01 2.41 0 9.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1453 Cds-CbCs_Cds-CdH CsJ-CtHH 300-1500 1.70E+03 2.41 0 10.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1454 Cds-CbCs_Cds-CdH CsJ-CtCsH 300-1500 3.84E+02 2.41 0 9.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1455 Cds-CbCs_Cds-CdH CsJ-CtCsCs 300-1500 9.79E+01 2.41 0 9.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1456 Cds-CbCs_Cds-CdH CdsJ-H 300-1500 2.57E+03 2.41 0 2.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1457 Cds-CbCs_Cds-CdH CdsJ-Cs 300-1500 1.36E+03 2.41 0 2.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1458 Cds-CbCs_Cds-CdH CbJ 300-1500 4.07E+03 2.41 0 0.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1459 Cds-CbCs_Cds-CdCs CsJ-HHH 300-1500 4.27E+03 2.41 0 6.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1460 Cds-CbCs_Cds-CdCs CsJ-CsHH 300-1500 4.34E+02 2.41 0 5.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1461 Cds-CbCs_Cds-CdCs CsJ-CsCsH 300-1500 3.48E+02 2.41 0 4.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1462 Cds-CbCs_Cds-CdCs CsJ-CsCsCs 300-1500 2.58E+02 2.41 0 3.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1463 Cds-CbCs_Cds-CdCs CsJ-CdHH 300-1500 4.51E+03 2.41 0 12.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1464 Cds-CbCs_Cds-CdCs CsJ-CdCsH 300-1500 7.85E+02 2.41 0 12.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1465 Cds-CbCs_Cds-CdCs CsJ-CdCsCs 300-1500 1.01E+02 2.41 0 11.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1466 Cds-CbCs_Cds-CdCs CsJ-CdCdH 300-1500 1.58E+03 2.41 0 17.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1467 Cds-CbCs_Cds-CdCs CsJ-CdCdCs 300-1500 5.40E+02 2.41 0 16.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1468 Cds-CbCs_Cds-CdCs CsJ-CbHH 300-1500 2.09E+03 2.41 0 10.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1469 Cds-CbCs_Cds-CdCs CsJ-CbCsH 300-1500 5.14E+02 2.41 0 9.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1470 Cds-CbCs_Cds-CdCs CsJ-CbCsCs 300-1500 8.22E+01 2.41 0 8.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1471 Cds-CbCs_Cds-CdCs CsJ-CtHH 300-1500 1.93E+03 2.41 0 9.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1472 Cds-CbCs_Cds-CdCs CsJ-CtCsH 300-1500 4.35E+02 2.41 0 9.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1473 Cds-CbCs_Cds-CdCs CsJ-CtCsCs 300-1500 1.11E+02 2.41 0 8.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1474 Cds-CbCs_Cds-CdCs CdsJ-H 300-1500 2.92E+03 2.41 0 2.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1475 Cds-CbCs_Cds-CdCs CdsJ-Cs 300-1500 1.55E+03 2.41 0 2.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1476 Cds-CbCs_Cds-CdCs CbJ 300-1500 4.61E+03 2.41 0 0.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1477 Cds-CbCs_Cds-CdCd CsJ-HHH 300-1500 1.30E+04 2.41 0 5.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1478 Cds-CbCs_Cds-CdCd CsJ-CsHH 300-1500 1.32E+03 2.41 0 4.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1479 Cds-CbCs_Cds-CdCd CsJ-CsCsH 300-1500 1.06E+03 2.41 0 3.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1480 Cds-CbCs_Cds-CdCd CsJ-CsCsCs 300-1500 7.85E+02 2.41 0 2.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1481 Cds-CbCs_Cds-CdCd CsJ-CdHH 300-1500 1.37E+04 2.41 0 11.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1482 Cds-CbCs_Cds-CdCd CsJ-CdCsH 300-1500 2.39E+03 2.41 0 11.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1483 Cds-CbCs_Cds-CdCd CsJ-CdCsCs 300-1500 3.09E+02 2.41 0 10.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1484 Cds-CbCs_Cds-CdCd CsJ-CdCdH 300-1500 4.82E+03 2.41 0 16.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1485 Cds-CbCs_Cds-CdCd CsJ-CdCdCs 300-1500 1.65E+03 2.41 0 15.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1486 Cds-CbCs_Cds-CdCd CsJ-CbHH 300-1500 6.37E+03 2.41 0 9.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1487 Cds-CbCs_Cds-CdCd CsJ-CbCsH 300-1500 1.57E+03 2.41 0 8.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1488 Cds-CbCs_Cds-CdCd CsJ-CbCsCs 300-1500 2.51E+02 2.41 0 8.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1489 Cds-CbCs_Cds-CdCd CsJ-CtHH 300-1500 5.89E+03 2.41 0 9.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1490 Cds-CbCs_Cds-CdCd CsJ-CtCsH 300-1500 1.33E+03 2.41 0 8.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1491 Cds-CbCs_Cds-CdCd CsJ-CtCsCs 300-1500 3.39E+02 2.41 0 7.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1492 Cds-CbCs_Cds-CdCd CdsJ-H 300-1500 8.90E+03 2.41 0 1.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1493 Cds-CbCs_Cds-CdCd CdsJ-Cs 300-1500 4.72E+03 2.41 0 1.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1494 Cds-CbCs_Cds-CdCd CbJ 300-1500 1.41E+04 2.41 0 -0.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1495 Cds-CbCs_Cds-CbH CsJ-HHH 300-1500 1.23E+03 2.41 0 8.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1496 Cds-CbCs_Cds-CbH CsJ-CsHH 300-1500 1.25E+02 2.41 0 7.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1497 Cds-CbCs_Cds-CbH CsJ-CsCsH 300-1500 1.00E+02 2.41 0 6.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1498 Cds-CbCs_Cds-CbH CsJ-CsCsCs 300-1500 7.41E+01 2.41 0 5.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1499 Cds-CbCs_Cds-CbH CsJ-CdHH 300-1500 1.30E+03 2.41 0 14.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1500 Cds-CbCs_Cds-CbH CsJ-CdCsH 300-1500 2.26E+02 2.41 0 14.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1501 Cds-CbCs_Cds-CbH CsJ-CdCsCs 300-1500 2.92E+01 2.41 0 13.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1502 Cds-CbCs_Cds-CbH CsJ-CdCdH 300-1500 4.55E+02 2.41 0 19.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1503 Cds-CbCs_Cds-CbH CsJ-CdCdCs 300-1500 1.55E+02 2.41 0 19.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1504 Cds-CbCs_Cds-CbH CsJ-CbHH 300-1500 6.01E+02 2.41 0 12.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1505 Cds-CbCs_Cds-CbH CsJ-CbCsH 300-1500 1.48E+02 2.41 0 11.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1506 Cds-CbCs_Cds-CbH CsJ-CbCsCs 300-1500 2.36E+01 2.41 0 11.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1507 Cds-CbCs_Cds-CbH CsJ-CtHH 300-1500 5.55E+02 2.41 0 12.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1508 Cds-CbCs_Cds-CbH CsJ-CtCsH 300-1500 1.25E+02 2.41 0 11.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1509 Cds-CbCs_Cds-CbH CsJ-CtCsCs 300-1500 3.20E+01 2.41 0 10.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1510 Cds-CbCs_Cds-CbH CdsJ-H 300-1500 8.40E+02 2.41 0 4.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1511 Cds-CbCs_Cds-CbH CdsJ-Cs 300-1500 4.45E+02 2.41 0 4.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1512 Cds-CbCs_Cds-CbH CbJ 300-1500 1.33E+03 2.41 0 2.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1513 Cds-CbCs_Cds-CbCs CsJ-HHH 300-1500 2.60E+03 2.41 0 8.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1514 Cds-CbCs_Cds-CbCs CsJ-CsHH 300-1500 2.65E+02 2.41 0 7.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1515 Cds-CbCs_Cds-CbCs CsJ-CsCsH 300-1500 2.12E+02 2.41 0 6.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1516 Cds-CbCs_Cds-CbCs CsJ-CsCsCs 300-1500 1.57E+02 2.41 0 5.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1517 Cds-CbCs_Cds-CbCs CsJ-CdHH 300-1500 2.75E+03 2.41 0 14.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1518 Cds-CbCs_Cds-CbCs CsJ-CdCsH 300-1500 4.79E+02 2.41 0 14.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1519 Cds-CbCs_Cds-CbCs CsJ-CdCsCs 300-1500 6.19E+01 2.41 0 13.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1520 Cds-CbCs_Cds-CbCs CsJ-CdCdH 300-1500 9.65E+02 2.41 0 19.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1521 Cds-CbCs_Cds-CbCs CsJ-CdCdCs 300-1500 3.29E+02 2.41 0 18.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1522 Cds-CbCs_Cds-CbCs CsJ-CbHH 300-1500 1.27E+03 2.41 0 12.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1523 Cds-CbCs_Cds-CbCs CsJ-CbCsH 300-1500 3.13E+02 2.41 0 11.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1524 Cds-CbCs_Cds-CbCs CsJ-CbCsCs 300-1500 5.01E+01 2.41 0 10.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1525 Cds-CbCs_Cds-CbCs CsJ-CtHH 300-1500 1.18E+03 2.41 0 11.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1526 Cds-CbCs_Cds-CbCs CsJ-CtCsH 300-1500 2.66E+02 2.41 0 11.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1527 Cds-CbCs_Cds-CbCs CsJ-CtCsCs 300-1500 6.78E+01 2.41 0 10.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1528 Cds-CbCs_Cds-CbCs CdsJ-H 300-1500 1.78E+03 2.41 0 4.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1529 Cds-CbCs_Cds-CbCs CdsJ-Cs 300-1500 9.45E+02 2.41 0 4.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1530 Cds-CbCs_Cds-CbCs CbJ 300-1500 2.81E+03 2.41 0 2.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1531 Cds-CbCs_Cds-CtH CsJ-HHH 300-1500 4.88E+03 2.41 0 6.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1532 Cds-CbCs_Cds-CtH CsJ-CsHH 300-1500 4.95E+02 2.41 0 5.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1533 Cds-CbCs_Cds-CtH CsJ-CsCsH 300-1500 3.97E+02 2.41 0 4.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1534 Cds-CbCs_Cds-CtH CsJ-CsCsCs 300-1500 2.94E+02 2.41 0 3.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1535 Cds-CbCs_Cds-CtH CsJ-CdHH 300-1500 5.15E+03 2.41 0 12.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1536 Cds-CbCs_Cds-CtH CsJ-CdCsH 300-1500 8.96E+02 2.41 0 12.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1537 Cds-CbCs_Cds-CtH CsJ-CdCsCs 300-1500 1.16E+02 2.41 0 11.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1538 Cds-CbCs_Cds-CtH CsJ-CdCdH 300-1500 1.81E+03 2.41 0 17.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1539 Cds-CbCs_Cds-CtH CsJ-CdCdCs 300-1500 6.17E+02 2.41 0 17.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1540 Cds-CbCs_Cds-CtH CsJ-CbHH 300-1500 2.39E+03 2.41 0 10.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1541 Cds-CbCs_Cds-CtH CsJ-CbCsH 300-1500 5.87E+02 2.41 0 9.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1542 Cds-CbCs_Cds-CtH CsJ-CbCsCs 300-1500 9.39E+01 2.41 0 9.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1543 Cds-CbCs_Cds-CtH CsJ-CtHH 300-1500 2.21E+03 2.41 0 10.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1544 Cds-CbCs_Cds-CtH CsJ-CtCsH 300-1500 4.97E+02 2.41 0 9.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1545 Cds-CbCs_Cds-CtH CsJ-CtCsCs 300-1500 1.27E+02 2.41 0 9.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1546 Cds-CbCs_Cds-CtH CdsJ-H 300-1500 3.34E+03 2.41 0 2.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1547 Cds-CbCs_Cds-CtH CdsJ-Cs 300-1500 1.77E+03 2.41 0 2.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1548 Cds-CbCs_Cds-CtH CbJ 300-1500 5.27E+03 2.41 0 0.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1549 Cds-CbCs_Cds-CtCs CsJ-HHH 300-1500 4.99E+03 2.41 0 6.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1550 Cds-CbCs_Cds-CtCs CsJ-CsHH 300-1500 5.07E+02 2.41 0 5.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1551 Cds-CbCs_Cds-CtCs CsJ-CsCsH 300-1500 4.07E+02 2.41 0 4.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1552 Cds-CbCs_Cds-CtCs CsJ-CsCsCs 300-1500 3.01E+02 2.41 0 3.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1553 Cds-CbCs_Cds-CtCs CsJ-CdHH 300-1500 5.27E+03 2.41 0 12.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1554 Cds-CbCs_Cds-CtCs CsJ-CdCsH 300-1500 9.18E+02 2.41 0 12.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1555 Cds-CbCs_Cds-CtCs CsJ-CdCsCs 300-1500 1.19E+02 2.41 0 11.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1556 Cds-CbCs_Cds-CtCs CsJ-CdCdH 300-1500 1.85E+03 2.41 0 17.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1557 Cds-CbCs_Cds-CtCs CsJ-CdCdCs 300-1500 6.32E+02 2.41 0 17.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1558 Cds-CbCs_Cds-CtCs CsJ-CbHH 300-1500 2.44E+03 2.41 0 10.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1559 Cds-CbCs_Cds-CtCs CsJ-CbCsH 300-1500 6.01E+02 2.41 0 9.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1560 Cds-CbCs_Cds-CtCs CsJ-CbCsCs 300-1500 9.61E+01 2.41 0 9.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1561 Cds-CbCs_Cds-CtCs CsJ-CtHH 300-1500 2.26E+03 2.41 0 10.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1562 Cds-CbCs_Cds-CtCs CsJ-CtCsH 300-1500 5.09E+02 2.41 0 9.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1563 Cds-CbCs_Cds-CtCs CsJ-CtCsCs 300-1500 1.30E+02 2.41 0 8.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1564 Cds-CbCs_Cds-CtCs CdsJ-H 300-1500 3.42E+03 2.41 0 2.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1565 Cds-CbCs_Cds-CtCs CdsJ-Cs 300-1500 1.81E+03 2.41 0 2.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1566 Cds-CbCs_Cds-CtCs CbJ 300-1500 5.40E+03 2.41 0 0.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1567 Cds-CbCs_Ca CsJ-HHH 300-1500 3.60E+03 2.41 0 10.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1568 Cds-CbCs_Ca CsJ-CsHH 300-1500 3.66E+02 2.41 0 9.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1569 Cds-CbCs_Ca CsJ-CsCsH 300-1500 2.94E+02 2.41 0 8.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1570 Cds-CbCs_Ca CsJ-CsCsCs 300-1500 2.17E+02 2.41 0 7.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1571 Cds-CbCs_Ca CsJ-CdHH 300-1500 3.80E+03 2.41 0 16.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1572 Cds-CbCs_Ca CsJ-CdCsH 300-1500 6.62E+02 2.41 0 16.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1573 Cds-CbCs_Ca CsJ-CdCsCs 300-1500 8.56E+01 2.41 0 15.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1574 Cds-CbCs_Ca CsJ-CdCdH 300-1500 1.34E+03 2.41 0 21.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1575 Cds-CbCs_Ca CsJ-CdCdCs 300-1500 4.56E+02 2.41 0 20.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1576 Cds-CbCs_Ca CsJ-CbHH 300-1500 1.76E+03 2.41 0 14.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1577 Cds-CbCs_Ca CsJ-CbCsH 300-1500 4.34E+02 2.41 0 13.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1578 Cds-CbCs_Ca CsJ-CbCsCs 300-1500 6.94E+01 2.41 0 13.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1579 Cds-CbCs_Ca CsJ-CtHH 300-1500 1.63E+03 2.41 0 14.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1580 Cds-CbCs_Ca CsJ-CtCsH 300-1500 3.67E+02 2.41 0 13.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1581 Cds-CbCs_Ca CsJ-CtCsCs 300-1500 9.37E+01 2.41 0 12.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1582 Cds-CbCs_Ca CdsJ-H 300-1500 2.46E+03 2.41 0 6.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1583 Cds-CbCs_Ca CdsJ-Cs 300-1500 1.31E+03 2.41 0 6.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1584 Cds-CbCs_Ca CbJ 300-1500 3.89E+03 2.41 0 4.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1585 Cds-CtH_Cds-HH CsJ-HHH 300-1500 1.46E+04 2.41 0 6.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1586 Cds-CtH_Cds-HH CsJ-CsHH 300-1500 1.48E+03 2.41 0 5.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1587 Cds-CtH_Cds-HH CsJ-CsCsH 300-1500 1.19E+03 2.41 0 4.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1588 Cds-CtH_Cds-HH CsJ-CsCsCs 300-1500 8.80E+02 2.41 0 3.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1589 Cds-CtH_Cds-HH CsJ-CdHH 300-1500 1.54E+04 2.41 0 12.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1590 Cds-CtH_Cds-HH CsJ-CdCsH 300-1500 2.68E+03 2.41 0 12.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1591 Cds-CtH_Cds-HH CsJ-CdCsCs 300-1500 3.47E+02 2.41 0 11.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1592 Cds-CtH_Cds-HH CsJ-CdCdH 300-1500 5.41E+03 2.41 0 17.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1593 Cds-CtH_Cds-HH CsJ-CdCdCs 300-1500 1.85E+03 2.41 0 17.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1594 Cds-CtH_Cds-HH CsJ-CbHH 300-1500 7.14E+03 2.41 0 10.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1595 Cds-CtH_Cds-HH CsJ-CbCsH 300-1500 1.76E+03 2.41 0 9.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1596 Cds-CtH_Cds-HH CsJ-CbCsCs 300-1500 2.81E+02 2.41 0 9.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1597 Cds-CtH_Cds-HH CsJ-CtHH 300-1500 6.60E+03 2.41 0 10.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1598 Cds-CtH_Cds-HH CsJ-CtCsH 300-1500 1.49E+03 2.41 0 9.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1599 Cds-CtH_Cds-HH CsJ-CtCsCs 300-1500 3.80E+02 2.41 0 9.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1600 Cds-CtH_Cds-HH CdsJ-H 300-1500 9.98E+03 2.41 0 2.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1601 Cds-CtH_Cds-HH CdsJ-Cs 300-1500 5.29E+03 2.41 0 2.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1602 Cds-CtH_Cds-HH CbJ 300-1500 1.58E+04 2.41 0 0.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1603 Cds-CtH_Cds-CsH CsJ-HHH 300-1500 1.46E+04 2.41 0 6.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1604 Cds-CtH_Cds-CsH CsJ-CsHH 300-1500 1.49E+03 2.41 0 5.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1605 Cds-CtH_Cds-CsH CsJ-CsCsH 300-1500 1.19E+03 2.41 0 4.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1606 Cds-CtH_Cds-CsH CsJ-CsCsCs 300-1500 8.84E+02 2.41 0 3.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1607 Cds-CtH_Cds-CsH CsJ-CdHH 300-1500 1.55E+04 2.41 0 12.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1608 Cds-CtH_Cds-CsH CsJ-CdCsH 300-1500 2.69E+03 2.41 0 12.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1609 Cds-CtH_Cds-CsH CsJ-CdCsCs 300-1500 3.48E+02 2.41 0 11.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1610 Cds-CtH_Cds-CsH CsJ-CdCdH 300-1500 5.43E+03 2.41 0 17.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1611 Cds-CtH_Cds-CsH CsJ-CdCdCs 300-1500 1.85E+03 2.41 0 16.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1612 Cds-CtH_Cds-CsH CsJ-CbHH 300-1500 7.17E+03 2.41 0 10.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1613 Cds-CtH_Cds-CsH CsJ-CbCsH 300-1500 1.76E+03 2.41 0 9.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1614 Cds-CtH_Cds-CsH CsJ-CbCsCs 300-1500 2.82E+02 2.41 0 8.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1615 Cds-CtH_Cds-CsH CsJ-CtHH 300-1500 6.63E+03 2.41 0 9.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1616 Cds-CtH_Cds-CsH CsJ-CtCsH 300-1500 1.49E+03 2.41 0 9.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1617 Cds-CtH_Cds-CsH CsJ-CtCsCs 300-1500 3.81E+02 2.41 0 8.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1618 Cds-CtH_Cds-CsH CdsJ-H 300-1500 1.00E+04 2.41 0 2.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1619 Cds-CtH_Cds-CsH CdsJ-Cs 300-1500 5.31E+03 2.41 0 2.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1620 Cds-CtH_Cds-CsH CbJ 300-1500 1.58E+04 2.41 0 -0.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1621 Cds-CtH_Cds-CsCs CsJ-HHH 300-1500 1.84E+04 2.41 0 5.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1622 Cds-CtH_Cds-CsCs CsJ-CsHH 300-1500 1.87E+03 2.41 0 5.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1623 Cds-CtH_Cds-CsCs CsJ-CsCsH 300-1500 1.50E+03 2.41 0 4.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1624 Cds-CtH_Cds-CsCs CsJ-CsCsCs 300-1500 1.11E+03 2.41 0 2.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1625 Cds-CtH_Cds-CsCs CsJ-CdHH 300-1500 1.94E+04 2.41 0 12.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1626 Cds-CtH_Cds-CsCs CsJ-CdCsH 300-1500 3.39E+03 2.41 0 11.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1627 Cds-CtH_Cds-CsCs CsJ-CdCsCs 300-1500 4.38E+02 2.41 0 10.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1628 Cds-CtH_Cds-CsCs CsJ-CdCdH 300-1500 6.83E+03 2.41 0 16.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1629 Cds-CtH_Cds-CsCs CsJ-CdCdCs 300-1500 2.33E+03 2.41 0 16.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1630 Cds-CtH_Cds-CsCs CsJ-CbHH 300-1500 9.02E+03 2.41 0 9.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1631 Cds-CtH_Cds-CsCs CsJ-CbCsH 300-1500 2.22E+03 2.41 0 9.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1632 Cds-CtH_Cds-CsCs CsJ-CbCsCs 300-1500 3.55E+02 2.41 0 8.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1633 Cds-CtH_Cds-CsCs CsJ-CtHH 300-1500 8.34E+03 2.41 0 9.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1634 Cds-CtH_Cds-CsCs CsJ-CtCsH 300-1500 1.88E+03 2.41 0 9.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1635 Cds-CtH_Cds-CsCs CsJ-CtCsCs 300-1500 4.80E+02 2.41 0 8.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1636 Cds-CtH_Cds-CsCs CdsJ-H 300-1500 1.26E+04 2.41 0 1.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1637 Cds-CtH_Cds-CsCs CdsJ-Cs 300-1500 6.69E+03 2.41 0 1.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1638 Cds-CtH_Cds-CsCs CbJ 300-1500 1.99E+04 2.41 0 -0.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1639 Cds-CtH_Cds-CdH CsJ-HHH 300-1500 1.64E+04 2.41 0 3.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1640 Cds-CtH_Cds-CdH CsJ-CsHH 300-1500 1.67E+03 2.41 0 2.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1641 Cds-CtH_Cds-CdH CsJ-CsCsH 300-1500 1.34E+03 2.41 0 1.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1642 Cds-CtH_Cds-CdH CsJ-CsCsCs 300-1500 9.93E+02 2.41 0 0.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1643 Cds-CtH_Cds-CdH CsJ-CdHH 300-1500 1.74E+04 2.41 0 9.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1644 Cds-CtH_Cds-CdH CsJ-CdCsH 300-1500 3.02E+03 2.41 0 9.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1645 Cds-CtH_Cds-CdH CsJ-CdCsCs 300-1500 3.91E+02 2.41 0 8.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1646 Cds-CtH_Cds-CdH CsJ-CdCdH 300-1500 6.10E+03 2.41 0 14.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1647 Cds-CtH_Cds-CdH CsJ-CdCdCs 300-1500 2.08E+03 2.41 0 14.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1648 Cds-CtH_Cds-CdH CsJ-CbHH 300-1500 8.05E+03 2.41 0 7.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1649 Cds-CtH_Cds-CdH CsJ-CbCsH 300-1500 1.98E+03 2.41 0 6.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1650 Cds-CtH_Cds-CdH CsJ-CbCsCs 300-1500 3.17E+02 2.41 0 6.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1651 Cds-CtH_Cds-CdH CsJ-CtHH 300-1500 7.44E+03 2.41 0 7.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1652 Cds-CtH_Cds-CdH CsJ-CtCsH 300-1500 1.68E+03 2.41 0 6.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1653 Cds-CtH_Cds-CdH CsJ-CtCsCs 300-1500 4.28E+02 2.41 0 5.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1654 Cds-CtH_Cds-CdH CdsJ-H 300-1500 1.13E+04 2.41 0 -0.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1655 Cds-CtH_Cds-CdH CdsJ-Cs 300-1500 5.97E+03 2.41 0 -0.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1656 Cds-CtH_Cds-CdH CbJ 300-1500 1.78E+04 2.41 0 -2.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1657 Cds-CtH_Cds-CdCs CsJ-HHH 300-1500 1.87E+04 2.41 0 2.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1658 Cds-CtH_Cds-CdCs CsJ-CsHH 300-1500 1.90E+03 2.41 0 2.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1659 Cds-CtH_Cds-CdCs CsJ-CsCsH 300-1500 1.52E+03 2.41 0 1.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1660 Cds-CtH_Cds-CdCs CsJ-CsCsCs 300-1500 1.13E+03 2.41 0 -0.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1661 Cds-CtH_Cds-CdCs CsJ-CdHH 300-1500 1.97E+04 2.41 0 9.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1662 Cds-CtH_Cds-CdCs CsJ-CdCsH 300-1500 3.43E+03 2.41 0 9.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1663 Cds-CtH_Cds-CdCs CsJ-CdCsCs 300-1500 4.44E+02 2.41 0 8.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1664 Cds-CtH_Cds-CdCs CsJ-CdCdH 300-1500 6.92E+03 2.41 0 13.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1665 Cds-CtH_Cds-CdCs CsJ-CdCdCs 300-1500 2.36E+03 2.41 0 13.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1666 Cds-CtH_Cds-CdCs CsJ-CbHH 300-1500 9.14E+03 2.41 0 6.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1667 Cds-CtH_Cds-CdCs CsJ-CbCsH 300-1500 2.25E+03 2.41 0 6.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1668 Cds-CtH_Cds-CdCs CsJ-CbCsCs 300-1500 3.59E+02 2.41 0 5.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1669 Cds-CtH_Cds-CdCs CsJ-CtHH 300-1500 8.44E+03 2.41 0 6.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1670 Cds-CtH_Cds-CdCs CsJ-CtCsH 300-1500 1.90E+03 2.41 0 6.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1671 Cds-CtH_Cds-CdCs CsJ-CtCsCs 300-1500 4.86E+02 2.41 0 5.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1672 Cds-CtH_Cds-CdCs CdsJ-H 300-1500 1.28E+04 2.41 0 -0.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1673 Cds-CtH_Cds-CdCs CdsJ-Cs 300-1500 6.77E+03 2.41 0 -1.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1674 Cds-CtH_Cds-CdCs CbJ 300-1500 2.02E+04 2.41 0 -3.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1675 Cds-CtH_Cds-CdCd CsJ-HHH 300-1500 5.69E+04 2.41 0 2.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1676 Cds-CtH_Cds-CdCd CsJ-CsHH 300-1500 5.78E+03 2.41 0 1.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1677 Cds-CtH_Cds-CdCd CsJ-CsCsH 300-1500 4.63E+03 2.41 0 0.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1678 Cds-CtH_Cds-CdCd CsJ-CsCsCs 300-1500 3.43E+03 2.41 0 -1.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1679 Cds-CtH_Cds-CdCd CsJ-CdHH 300-1500 6.00E+04 2.41 0 8.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1680 Cds-CtH_Cds-CdCd CsJ-CdCsH 300-1500 1.05E+04 2.41 0 8.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1681 Cds-CtH_Cds-CdCd CsJ-CdCsCs 300-1500 1.35E+03 2.41 0 7.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1682 Cds-CtH_Cds-CdCd CsJ-CdCdH 300-1500 2.11E+04 2.41 0 12.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1683 Cds-CtH_Cds-CdCd CsJ-CdCdCs 300-1500 7.20E+03 2.41 0 12.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1684 Cds-CtH_Cds-CdCd CsJ-CbHH 300-1500 2.78E+04 2.41 0 6.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1685 Cds-CtH_Cds-CdCd CsJ-CbCsH 300-1500 6.85E+03 2.41 0 5.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1686 Cds-CtH_Cds-CdCd CsJ-CbCsCs 300-1500 1.10E+03 2.41 0 4.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1687 Cds-CtH_Cds-CdCd CsJ-CtHH 300-1500 2.57E+04 2.41 0 5.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1688 Cds-CtH_Cds-CdCd CsJ-CtCsH 300-1500 5.80E+03 2.41 0 5.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1689 Cds-CtH_Cds-CdCd CsJ-CtCsCs 300-1500 1.48E+03 2.41 0 4.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1690 Cds-CtH_Cds-CdCd CdsJ-H 300-1500 3.89E+04 2.41 0 -1.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1691 Cds-CtH_Cds-CdCd CdsJ-Cs 300-1500 2.06E+04 2.41 0 -1.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1692 Cds-CtH_Cds-CdCd CbJ 300-1500 6.15E+04 2.41 0 -4.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1693 Cds-CtH_Cds-CbH CsJ-HHH 300-1500 5.37E+03 2.41 0 5.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1694 Cds-CtH_Cds-CbH CsJ-CsHH 300-1500 5.45E+02 2.41 0 4.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1695 Cds-CtH_Cds-CbH CsJ-CsCsH 300-1500 4.37E+02 2.41 0 3.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1696 Cds-CtH_Cds-CbH CsJ-CsCsCs 300-1500 3.24E+02 2.41 0 1.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1697 Cds-CtH_Cds-CbH CsJ-CdHH 300-1500 5.67E+03 2.41 0 11.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1698 Cds-CtH_Cds-CbH CsJ-CdCsH 300-1500 9.87E+02 2.41 0 11.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1699 Cds-CtH_Cds-CbH CsJ-CdCsCs 300-1500 1.28E+02 2.41 0 10.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1700 Cds-CtH_Cds-CbH CsJ-CdCdH 300-1500 1.99E+03 2.41 0 15.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1701 Cds-CtH_Cds-CbH CsJ-CdCdCs 300-1500 6.79E+02 2.41 0 15.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1702 Cds-CtH_Cds-CbH CsJ-CbHH 300-1500 2.63E+03 2.41 0 9.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1703 Cds-CtH_Cds-CbH CsJ-CbCsH 300-1500 6.46E+02 2.41 0 8.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1704 Cds-CtH_Cds-CbH CsJ-CbCsCs 300-1500 1.03E+02 2.41 0 7.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1705 Cds-CtH_Cds-CbH CsJ-CtHH 300-1500 2.43E+03 2.41 0 8.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1706 Cds-CtH_Cds-CbH CsJ-CtCsH 300-1500 5.48E+02 2.41 0 8.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1707 Cds-CtH_Cds-CbH CsJ-CtCsCs 300-1500 1.40E+02 2.41 0 7.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1708 Cds-CtH_Cds-CbH CdsJ-H 300-1500 3.67E+03 2.41 0 1.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1709 Cds-CtH_Cds-CbH CdsJ-Cs 300-1500 1.95E+03 2.41 0 1.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1710 Cds-CtH_Cds-CbH CbJ 300-1500 5.80E+03 2.41 0 -1.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1711 Cds-CtH_Cds-CbCs CsJ-HHH 300-1500 1.14E+04 2.41 0 4.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1712 Cds-CtH_Cds-CbCs CsJ-CsHH 300-1500 1.16E+03 2.41 0 4.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1713 Cds-CtH_Cds-CbCs CsJ-CsCsH 300-1500 9.28E+02 2.41 0 3.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1714 Cds-CtH_Cds-CbCs CsJ-CsCsCs 300-1500 6.87E+02 2.41 0 1.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1715 Cds-CtH_Cds-CbCs CsJ-CdHH 300-1500 1.20E+04 2.41 0 11.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1716 Cds-CtH_Cds-CbCs CsJ-CdCsH 300-1500 2.09E+03 2.41 0 11.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1717 Cds-CtH_Cds-CbCs CsJ-CdCsCs 300-1500 2.71E+02 2.41 0 10.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1718 Cds-CtH_Cds-CbCs CsJ-CdCdH 300-1500 4.22E+03 2.41 0 15.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1719 Cds-CtH_Cds-CbCs CsJ-CdCdCs 300-1500 1.44E+03 2.41 0 15.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1720 Cds-CtH_Cds-CbCs CsJ-CbHH 300-1500 5.57E+03 2.41 0 8.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1721 Cds-CtH_Cds-CbCs CsJ-CbCsH 300-1500 1.37E+03 2.41 0 8.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1722 Cds-CtH_Cds-CbCs CsJ-CbCsCs 300-1500 2.19E+02 2.41 0 7.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1723 Cds-CtH_Cds-CbCs CsJ-CtHH 300-1500 5.15E+03 2.41 0 8.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1724 Cds-CtH_Cds-CbCs CsJ-CtCsH 300-1500 1.16E+03 2.41 0 8.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1725 Cds-CtH_Cds-CbCs CsJ-CtCsCs 300-1500 2.96E+02 2.41 0 7.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1726 Cds-CtH_Cds-CbCs CdsJ-H 300-1500 7.79E+03 2.41 0 1.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1727 Cds-CtH_Cds-CbCs CdsJ-Cs 300-1500 4.13E+03 2.41 0 0.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1728 Cds-CtH_Cds-CbCs CbJ 300-1500 1.23E+04 2.41 0 -1.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1729 Cds-CtH_Cds-CtH CsJ-HHH 300-1500 2.13E+04 2.41 0 3.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1730 Cds-CtH_Cds-CtH CsJ-CsHH 300-1500 2.17E+03 2.41 0 2.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1731 Cds-CtH_Cds-CtH CsJ-CsCsH 300-1500 1.74E+03 2.41 0 1.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1732 Cds-CtH_Cds-CtH CsJ-CsCsCs 300-1500 1.29E+03 2.41 0 0.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1733 Cds-CtH_Cds-CtH CsJ-CdHH 300-1500 2.25E+04 2.41 0 9.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1734 Cds-CtH_Cds-CtH CsJ-CdCsH 300-1500 3.92E+03 2.41 0 9.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1735 Cds-CtH_Cds-CtH CsJ-CdCsCs 300-1500 5.07E+02 2.41 0 8.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1736 Cds-CtH_Cds-CtH CsJ-CdCdH 300-1500 7.90E+03 2.41 0 14.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1737 Cds-CtH_Cds-CtH CsJ-CdCdCs 300-1500 2.70E+03 2.41 0 13.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1738 Cds-CtH_Cds-CtH CsJ-CbHH 300-1500 1.04E+04 2.41 0 7.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1739 Cds-CtH_Cds-CtH CsJ-CbCsH 300-1500 2.57E+03 2.41 0 6.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1740 Cds-CtH_Cds-CtH CsJ-CbCsCs 300-1500 4.11E+02 2.41 0 5.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1741 Cds-CtH_Cds-CtH CsJ-CtHH 300-1500 9.64E+03 2.41 0 6.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1742 Cds-CtH_Cds-CtH CsJ-CtCsH 300-1500 2.17E+03 2.41 0 6.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1743 Cds-CtH_Cds-CtH CsJ-CtCsCs 300-1500 5.55E+02 2.41 0 5.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1744 Cds-CtH_Cds-CtH CdsJ-H 300-1500 1.46E+04 2.41 0 -0.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1745 Cds-CtH_Cds-CtH CdsJ-Cs 300-1500 7.73E+03 2.41 0 -0.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1746 Cds-CtH_Cds-CtH CbJ 300-1500 2.30E+04 2.41 0 -2.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1747 Cds-CtH_Cds-CtCs CsJ-HHH 300-1500 2.18E+04 2.41 0 3.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1748 Cds-CtH_Cds-CtCs CsJ-CsHH 300-1500 2.22E+03 2.41 0 2.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1749 Cds-CtH_Cds-CtCs CsJ-CsCsH 300-1500 1.78E+03 2.41 0 1.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1750 Cds-CtH_Cds-CtCs CsJ-CsCsCs 300-1500 1.32E+03 2.41 0 -0.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1751 Cds-CtH_Cds-CtCs CsJ-CdHH 300-1500 2.30E+04 2.41 0 9.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1752 Cds-CtH_Cds-CtCs CsJ-CdCsH 300-1500 4.01E+03 2.41 0 9.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1753 Cds-CtH_Cds-CtCs CsJ-CdCsCs 300-1500 5.19E+02 2.41 0 8.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1754 Cds-CtH_Cds-CtCs CsJ-CdCdH 300-1500 8.09E+03 2.41 0 13.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1755 Cds-CtH_Cds-CtCs CsJ-CdCdCs 300-1500 2.76E+03 2.41 0 13.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1756 Cds-CtH_Cds-CtCs CsJ-CbHH 300-1500 1.07E+04 2.41 0 7.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1757 Cds-CtH_Cds-CtCs CsJ-CbCsH 300-1500 2.63E+03 2.41 0 6.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1758 Cds-CtH_Cds-CtCs CsJ-CbCsCs 300-1500 4.20E+02 2.41 0 5.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1759 Cds-CtH_Cds-CtCs CsJ-CtHH 300-1500 9.87E+03 2.41 0 6.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1760 Cds-CtH_Cds-CtCs CsJ-CtCsH 300-1500 2.23E+03 2.41 0 6.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1761 Cds-CtH_Cds-CtCs CsJ-CtCsCs 300-1500 5.68E+02 2.41 0 5.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1762 Cds-CtH_Cds-CtCs CdsJ-H 300-1500 1.49E+04 2.41 0 -0.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1763 Cds-CtH_Cds-CtCs CdsJ-Cs 300-1500 7.92E+03 2.41 0 -0.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1764 Cds-CtH_Cds-CtCs CbJ 300-1500 2.36E+04 2.41 0 -3.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1765 Cds-CtH_Ca CsJ-HHH 300-1500 1.58E+04 2.41 0 7.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1766 Cds-CtH_Ca CsJ-CsHH 300-1500 1.60E+03 2.41 0 6.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1767 Cds-CtH_Ca CsJ-CsCsH 300-1500 1.28E+03 2.41 0 5.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1768 Cds-CtH_Ca CsJ-CsCsCs 300-1500 9.51E+02 2.41 0 3.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1769 Cds-CtH_Ca CsJ-CdHH 300-1500 1.66E+04 2.41 0 13.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1770 Cds-CtH_Ca CsJ-CdCsH 300-1500 2.90E+03 2.41 0 13.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1771 Cds-CtH_Ca CsJ-CdCsCs 300-1500 3.74E+02 2.41 0 12.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1772 Cds-CtH_Ca CsJ-CdCdH 300-1500 5.84E+03 2.41 0 17.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1773 Cds-CtH_Ca CsJ-CdCdCs 300-1500 1.99E+03 2.41 0 17.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1774 Cds-CtH_Ca CsJ-CbHH 300-1500 7.71E+03 2.41 0 11.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1775 Cds-CtH_Ca CsJ-CbCsH 300-1500 1.90E+03 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1776 Cds-CtH_Ca CsJ-CbCsCs 300-1500 3.03E+02 2.41 0 9.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1777 Cds-CtH_Ca CsJ-CtHH 300-1500 7.12E+03 2.41 0 10.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1778 Cds-CtH_Ca CsJ-CtCsH 300-1500 1.61E+03 2.41 0 10.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1779 Cds-CtH_Ca CsJ-CtCsCs 300-1500 4.10E+02 2.41 0 9.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1780 Cds-CtH_Ca CdsJ-H 300-1500 1.08E+04 2.41 0 3.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1781 Cds-CtH_Ca CdsJ-Cs 300-1500 5.71E+03 2.41 0 3.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1782 Cds-CtH_Ca CbJ 300-1500 1.70E+04 2.41 0 0.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1783 Cds-CtCs_Cds-HH CsJ-HHH 300-1500 7.01E+03 2.41 0 7.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1784 Cds-CtCs_Cds-HH CsJ-CsHH 300-1500 7.12E+02 2.41 0 7.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1785 Cds-CtCs_Cds-HH CsJ-CsCsH 300-1500 5.71E+02 2.41 0 6.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1786 Cds-CtCs_Cds-HH CsJ-CsCsCs 300-1500 4.23E+02 2.41 0 4.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1787 Cds-CtCs_Cds-HH CsJ-CdHH 300-1500 7.39E+03 2.41 0 14.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1788 Cds-CtCs_Cds-HH CsJ-CdCsH 300-1500 1.29E+03 2.41 0 13.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1789 Cds-CtCs_Cds-HH CsJ-CdCsCs 300-1500 1.67E+02 2.41 0 12.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1790 Cds-CtCs_Cds-HH CsJ-CdCdH 300-1500 2.60E+03 2.41 0 18.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1791 Cds-CtCs_Cds-HH CsJ-CdCdCs 300-1500 8.87E+02 2.41 0 18.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1792 Cds-CtCs_Cds-HH CsJ-CbHH 300-1500 3.43E+03 2.41 0 11.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1793 Cds-CtCs_Cds-HH CsJ-CbCsH 300-1500 8.43E+02 2.41 0 11.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1794 Cds-CtCs_Cds-HH CsJ-CbCsCs 300-1500 1.35E+02 2.41 0 10.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1795 Cds-CtCs_Cds-HH CsJ-CtHH 300-1500 3.17E+03 2.41 0 11.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1796 Cds-CtCs_Cds-HH CsJ-CtCsH 300-1500 7.15E+02 2.41 0 11.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1797 Cds-CtCs_Cds-HH CsJ-CtCsCs 300-1500 1.82E+02 2.41 0 10.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1798 Cds-CtCs_Cds-HH CdsJ-H 300-1500 4.79E+03 2.41 0 4.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1799 Cds-CtCs_Cds-HH CdsJ-Cs 300-1500 2.54E+03 2.41 0 3.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1800 Cds-CtCs_Cds-HH CbJ 300-1500 7.57E+03 2.41 0 1.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1801 Cds-CtCs_Cds-CsH CsJ-HHH 300-1500 7.04E+03 2.41 0 7.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1802 Cds-CtCs_Cds-CsH CsJ-CsHH 300-1500 7.15E+02 2.41 0 7.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1803 Cds-CtCs_Cds-CsH CsJ-CsCsH 300-1500 5.73E+02 2.41 0 5.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1804 Cds-CtCs_Cds-CsH CsJ-CsCsCs 300-1500 4.25E+02 2.41 0 4.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1805 Cds-CtCs_Cds-CsH CsJ-CdHH 300-1500 7.43E+03 2.41 0 13.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1806 Cds-CtCs_Cds-CsH CsJ-CdCsH 300-1500 1.29E+03 2.41 0 13.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1807 Cds-CtCs_Cds-CsH CsJ-CdCsCs 300-1500 1.67E+02 2.41 0 12.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1808 Cds-CtCs_Cds-CsH CsJ-CdCdH 300-1500 2.61E+03 2.41 0 18.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1809 Cds-CtCs_Cds-CsH CsJ-CdCdCs 300-1500 8.90E+02 2.41 0 18.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1810 Cds-CtCs_Cds-CsH CsJ-CbHH 300-1500 3.44E+03 2.41 0 11.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1811 Cds-CtCs_Cds-CsH CsJ-CbCsH 300-1500 8.47E+02 2.41 0 10.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1812 Cds-CtCs_Cds-CsH CsJ-CbCsCs 300-1500 1.35E+02 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1813 Cds-CtCs_Cds-CsH CsJ-CtHH 300-1500 3.18E+03 2.41 0 11.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1814 Cds-CtCs_Cds-CsH CsJ-CtCsH 300-1500 7.18E+02 2.41 0 10.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1815 Cds-CtCs_Cds-CsH CsJ-CtCsCs 300-1500 1.83E+02 2.41 0 10.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1816 Cds-CtCs_Cds-CsH CdsJ-H 300-1500 4.81E+03 2.41 0 3.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1817 Cds-CtCs_Cds-CsH CdsJ-Cs 300-1500 2.55E+03 2.41 0 3.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1818 Cds-CtCs_Cds-CsH CbJ 300-1500 7.60E+03 2.41 0 1.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1819 Cds-CtCs_Cds-CsCs CsJ-HHH 300-1500 8.85E+03 2.41 0 7.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1820 Cds-CtCs_Cds-CsCs CsJ-CsHH 300-1500 8.99E+02 2.41 0 6.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1821 Cds-CtCs_Cds-CsCs CsJ-CsCsH 300-1500 7.21E+02 2.41 0 5.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1822 Cds-CtCs_Cds-CsCs CsJ-CsCsCs 300-1500 5.34E+02 2.41 0 4.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1823 Cds-CtCs_Cds-CsCs CsJ-CdHH 300-1500 9.34E+03 2.41 0 13.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1824 Cds-CtCs_Cds-CsCs CsJ-CdCsH 300-1500 1.63E+03 2.41 0 13.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1825 Cds-CtCs_Cds-CsCs CsJ-CdCsCs 300-1500 2.10E+02 2.41 0 12.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1826 Cds-CtCs_Cds-CsCs CsJ-CdCdH 300-1500 3.28E+03 2.41 0 18.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1827 Cds-CtCs_Cds-CsCs CsJ-CdCdCs 300-1500 1.12E+03 2.41 0 17.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1828 Cds-CtCs_Cds-CsCs CsJ-CbHH 300-1500 4.33E+03 2.41 0 11.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1829 Cds-CtCs_Cds-CsCs CsJ-CbCsH 300-1500 1.07E+03 2.41 0 10.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1830 Cds-CtCs_Cds-CsCs CsJ-CbCsCs 300-1500 1.70E+02 2.41 0 9.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1831 Cds-CtCs_Cds-CsCs CsJ-CtHH 300-1500 4.00E+03 2.41 0 10.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1832 Cds-CtCs_Cds-CsCs CsJ-CtCsH 300-1500 9.03E+02 2.41 0 10.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1833 Cds-CtCs_Cds-CsCs CsJ-CtCsCs 300-1500 2.30E+02 2.41 0 9.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1834 Cds-CtCs_Cds-CsCs CdsJ-H 300-1500 6.06E+03 2.41 0 3.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1835 Cds-CtCs_Cds-CsCs CdsJ-Cs 300-1500 3.21E+03 2.41 0 3.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1836 Cds-CtCs_Cds-CsCs CbJ 300-1500 9.57E+03 2.41 0 1.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1837 Cds-CtCs_Cds-CdH CsJ-HHH 300-1500 7.90E+03 2.41 0 4.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1838 Cds-CtCs_Cds-CdH CsJ-CsHH 300-1500 8.03E+02 2.41 0 4.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1839 Cds-CtCs_Cds-CdH CsJ-CsCsH 300-1500 6.44E+02 2.41 0 3.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1840 Cds-CtCs_Cds-CdH CsJ-CsCsCs 300-1500 4.77E+02 2.41 0 1.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1841 Cds-CtCs_Cds-CdH CsJ-CdHH 300-1500 8.34E+03 2.41 0 11.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1842 Cds-CtCs_Cds-CdH CsJ-CdCsH 300-1500 1.45E+03 2.41 0 10.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1843 Cds-CtCs_Cds-CdH CsJ-CdCsCs 300-1500 1.88E+02 2.41 0 9.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1844 Cds-CtCs_Cds-CdH CsJ-CdCdH 300-1500 2.93E+03 2.41 0 15.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1845 Cds-CtCs_Cds-CdH CsJ-CdCdCs 300-1500 1.00E+03 2.41 0 15.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1846 Cds-CtCs_Cds-CdH CsJ-CbHH 300-1500 3.87E+03 2.41 0 8.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1847 Cds-CtCs_Cds-CdH CsJ-CbCsH 300-1500 9.51E+02 2.41 0 8.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1848 Cds-CtCs_Cds-CdH CsJ-CbCsCs 300-1500 1.52E+02 2.41 0 7.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1849 Cds-CtCs_Cds-CdH CsJ-CtHH 300-1500 3.57E+03 2.41 0 8.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1850 Cds-CtCs_Cds-CdH CsJ-CtCsH 300-1500 8.06E+02 2.41 0 8.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1851 Cds-CtCs_Cds-CdH CsJ-CtCsCs 300-1500 2.06E+02 2.41 0 7.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1852 Cds-CtCs_Cds-CdH CdsJ-H 300-1500 5.41E+03 2.41 0 0.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1853 Cds-CtCs_Cds-CdH CdsJ-Cs 300-1500 2.87E+03 2.41 0 0.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1854 Cds-CtCs_Cds-CdH CbJ 300-1500 8.54E+03 2.41 0 -1.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1855 Cds-CtCs_Cds-CdCs CsJ-HHH 300-1500 8.97E+03 2.41 0 4.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1856 Cds-CtCs_Cds-CdCs CsJ-CsHH 300-1500 9.11E+02 2.41 0 3.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1857 Cds-CtCs_Cds-CdCs CsJ-CsCsH 300-1500 7.31E+02 2.41 0 2.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1858 Cds-CtCs_Cds-CdCs CsJ-CsCsCs 300-1500 5.41E+02 2.41 0 1.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1859 Cds-CtCs_Cds-CdCs CsJ-CdHH 300-1500 9.46E+03 2.41 0 10.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1860 Cds-CtCs_Cds-CdCs CsJ-CdCsH 300-1500 1.65E+03 2.41 0 10.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1861 Cds-CtCs_Cds-CdCs CsJ-CdCsCs 300-1500 2.13E+02 2.41 0 9.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1862 Cds-CtCs_Cds-CdCs CsJ-CdCdH 300-1500 3.32E+03 2.41 0 15.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1863 Cds-CtCs_Cds-CdCs CsJ-CdCdCs 300-1500 1.13E+03 2.41 0 15.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1864 Cds-CtCs_Cds-CdCs CsJ-CbHH 300-1500 4.39E+03 2.41 0 8.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1865 Cds-CtCs_Cds-CdCs CsJ-CbCsH 300-1500 1.08E+03 2.41 0 7.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1866 Cds-CtCs_Cds-CdCs CsJ-CbCsCs 300-1500 1.73E+02 2.41 0 7.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1867 Cds-CtCs_Cds-CdCs CsJ-CtHH 300-1500 4.06E+03 2.41 0 8.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1868 Cds-CtCs_Cds-CdCs CsJ-CtCsH 300-1500 9.15E+02 2.41 0 7.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1869 Cds-CtCs_Cds-CdCs CsJ-CtCsCs 300-1500 2.33E+02 2.41 0 6.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1870 Cds-CtCs_Cds-CdCs CdsJ-H 300-1500 6.13E+03 2.41 0 0.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1871 Cds-CtCs_Cds-CdCs CdsJ-Cs 300-1500 3.25E+03 2.41 0 0.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1872 Cds-CtCs_Cds-CdCs CbJ 300-1500 9.69E+03 2.41 0 -1.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1873 Cds-CtCs_Cds-CdCd CsJ-HHH 300-1500 2.73E+04 2.41 0 3.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1874 Cds-CtCs_Cds-CdCd CsJ-CsHH 300-1500 2.78E+03 2.41 0 2.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1875 Cds-CtCs_Cds-CdCd CsJ-CsCsH 300-1500 2.23E+03 2.41 0 1.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1876 Cds-CtCs_Cds-CdCd CsJ-CsCsCs 300-1500 1.65E+03 2.41 0 0.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1877 Cds-CtCs_Cds-CdCd CsJ-CdHH 300-1500 2.88E+04 2.41 0 9.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1878 Cds-CtCs_Cds-CdCd CsJ-CdCsH 300-1500 5.02E+03 2.41 0 9.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1879 Cds-CtCs_Cds-CdCd CsJ-CdCsCs 300-1500 6.50E+02 2.41 0 8.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1880 Cds-CtCs_Cds-CdCd CsJ-CdCdH 300-1500 1.01E+04 2.41 0 14.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1881 Cds-CtCs_Cds-CdCd CsJ-CdCdCs 300-1500 3.46E+03 2.41 0 14.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1882 Cds-CtCs_Cds-CdCd CsJ-CbHH 300-1500 1.34E+04 2.41 0 7.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1883 Cds-CtCs_Cds-CdCd CsJ-CbCsH 300-1500 3.29E+03 2.41 0 6.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1884 Cds-CtCs_Cds-CdCd CsJ-CbCsCs 300-1500 5.26E+02 2.41 0 6.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1885 Cds-CtCs_Cds-CdCd CsJ-CtHH 300-1500 1.24E+04 2.41 0 7.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1886 Cds-CtCs_Cds-CdCd CsJ-CtCsH 300-1500 2.79E+03 2.41 0 6.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1887 Cds-CtCs_Cds-CdCd CsJ-CtCsCs 300-1500 7.11E+02 2.41 0 6.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1888 Cds-CtCs_Cds-CdCd CdsJ-H 300-1500 1.87E+04 2.41 0 -0.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1889 Cds-CtCs_Cds-CdCd CdsJ-Cs 300-1500 9.91E+03 2.41 0 -0.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1890 Cds-CtCs_Cds-CdCd CbJ 300-1500 2.95E+04 2.41 0 -2.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1891 Cds-CtCs_Cds-CbH CsJ-HHH 300-1500 2.58E+03 2.41 0 6.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1892 Cds-CtCs_Cds-CbH CsJ-CsHH 300-1500 2.62E+02 2.41 0 5.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1893 Cds-CtCs_Cds-CbH CsJ-CsCsH 300-1500 2.10E+02 2.41 0 4.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1894 Cds-CtCs_Cds-CbH CsJ-CsCsCs 300-1500 1.56E+02 2.41 0 3.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1895 Cds-CtCs_Cds-CbH CsJ-CdHH 300-1500 2.72E+03 2.41 0 12.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1896 Cds-CtCs_Cds-CbH CsJ-CdCsH 300-1500 4.74E+02 2.41 0 12.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1897 Cds-CtCs_Cds-CbH CsJ-CdCsCs 300-1500 6.13E+01 2.41 0 11.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1898 Cds-CtCs_Cds-CbH CsJ-CdCdH 300-1500 9.56E+02 2.41 0 17.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1899 Cds-CtCs_Cds-CbH CsJ-CdCdCs 300-1500 3.26E+02 2.41 0 17.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1900 Cds-CtCs_Cds-CbH CsJ-CbHH 300-1500 1.26E+03 2.41 0 10.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1901 Cds-CtCs_Cds-CbH CsJ-CbCsH 300-1500 3.10E+02 2.41 0 9.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1902 Cds-CtCs_Cds-CbH CsJ-CbCsCs 300-1500 4.97E+01 2.41 0 9.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1903 Cds-CtCs_Cds-CbH CsJ-CtHH 300-1500 1.17E+03 2.41 0 10.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1904 Cds-CtCs_Cds-CbH CsJ-CtCsH 300-1500 2.63E+02 2.41 0 9.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1905 Cds-CtCs_Cds-CbH CsJ-CtCsCs 300-1500 6.71E+01 2.41 0 9.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1906 Cds-CtCs_Cds-CbH CdsJ-H 300-1500 1.76E+03 2.41 0 2.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1907 Cds-CtCs_Cds-CbH CdsJ-Cs 300-1500 9.36E+02 2.41 0 2.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1908 Cds-CtCs_Cds-CbH CbJ 300-1500 2.79E+03 2.41 0 0.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1909 Cds-CtCs_Cds-CbCs CsJ-HHH 300-1500 5.47E+03 2.41 0 6.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1910 Cds-CtCs_Cds-CbCs CsJ-CsHH 300-1500 5.56E+02 2.41 0 5.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1911 Cds-CtCs_Cds-CbCs CsJ-CsCsH 300-1500 4.46E+02 2.41 0 4.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1912 Cds-CtCs_Cds-CbCs CsJ-CsCsCs 300-1500 3.30E+02 2.41 0 3.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1913 Cds-CtCs_Cds-CbCs CsJ-CdHH 300-1500 5.77E+03 2.41 0 12.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1914 Cds-CtCs_Cds-CbCs CsJ-CdCsH 300-1500 1.01E+03 2.41 0 12.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1915 Cds-CtCs_Cds-CbCs CsJ-CdCsCs 300-1500 1.30E+02 2.41 0 11.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1916 Cds-CtCs_Cds-CbCs CsJ-CdCdH 300-1500 2.03E+03 2.41 0 17.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1917 Cds-CtCs_Cds-CbCs CsJ-CdCdCs 300-1500 6.92E+02 2.41 0 17.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1918 Cds-CtCs_Cds-CbCs CsJ-CbHH 300-1500 2.68E+03 2.41 0 10.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1919 Cds-CtCs_Cds-CbCs CsJ-CbCsH 300-1500 6.58E+02 2.41 0 9.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1920 Cds-CtCs_Cds-CbCs CsJ-CbCsCs 300-1500 1.05E+02 2.41 0 9.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1921 Cds-CtCs_Cds-CbCs CsJ-CtHH 300-1500 2.47E+03 2.41 0 10.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1922 Cds-CtCs_Cds-CbCs CsJ-CtCsH 300-1500 5.58E+02 2.41 0 9.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1923 Cds-CtCs_Cds-CbCs CsJ-CtCsCs 300-1500 1.42E+02 2.41 0 8.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1924 Cds-CtCs_Cds-CbCs CdsJ-H 300-1500 3.74E+03 2.41 0 2.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1925 Cds-CtCs_Cds-CbCs CdsJ-Cs 300-1500 1.98E+03 2.41 0 2.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1926 Cds-CtCs_Cds-CbCs CbJ 300-1500 5.91E+03 2.41 0 0.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1927 Cds-CtCs_Cds-CtH CsJ-HHH 300-1500 1.02E+04 2.41 0 4.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1928 Cds-CtCs_Cds-CtH CsJ-CsHH 300-1500 1.04E+03 2.41 0 4.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1929 Cds-CtCs_Cds-CtH CsJ-CsCsH 300-1500 8.34E+02 2.41 0 2.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1930 Cds-CtCs_Cds-CtH CsJ-CsCsCs 300-1500 6.18E+02 2.41 0 1.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1931 Cds-CtCs_Cds-CtH CsJ-CdHH 300-1500 1.08E+04 2.41 0 10.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1932 Cds-CtCs_Cds-CtH CsJ-CdCsH 300-1500 1.88E+03 2.41 0 10.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1933 Cds-CtCs_Cds-CtH CsJ-CdCsCs 300-1500 2.43E+02 2.41 0 9.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1934 Cds-CtCs_Cds-CtH CsJ-CdCdH 300-1500 3.80E+03 2.41 0 15.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1935 Cds-CtCs_Cds-CtH CsJ-CdCdCs 300-1500 1.30E+03 2.41 0 15.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1936 Cds-CtCs_Cds-CtH CsJ-CbHH 300-1500 5.01E+03 2.41 0 8.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1937 Cds-CtCs_Cds-CtH CsJ-CbCsH 300-1500 1.23E+03 2.41 0 7.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1938 Cds-CtCs_Cds-CtH CsJ-CbCsCs 300-1500 1.97E+02 2.41 0 7.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1939 Cds-CtCs_Cds-CtH CsJ-CtHH 300-1500 4.63E+03 2.41 0 8.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1940 Cds-CtCs_Cds-CtH CsJ-CtCsH 300-1500 1.04E+03 2.41 0 7.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1941 Cds-CtCs_Cds-CtH CsJ-CtCsCs 300-1500 2.66E+02 2.41 0 7.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1942 Cds-CtCs_Cds-CtH CdsJ-H 300-1500 7.01E+03 2.41 0 0.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1943 Cds-CtCs_Cds-CtH CdsJ-Cs 300-1500 3.72E+03 2.41 0 0.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1944 Cds-CtCs_Cds-CtH CbJ 300-1500 1.11E+04 2.41 0 -1.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1945 Cds-CtCs_Cds-CtCs CsJ-HHH 300-1500 1.05E+04 2.41 0 4.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1946 Cds-CtCs_Cds-CtCs CsJ-CsHH 300-1500 1.06E+03 2.41 0 3.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1947 Cds-CtCs_Cds-CtCs CsJ-CsCsH 300-1500 8.54E+02 2.41 0 2.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1948 Cds-CtCs_Cds-CtCs CsJ-CsCsCs 300-1500 6.33E+02 2.41 0 1.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1949 Cds-CtCs_Cds-CtCs CsJ-CdHH 300-1500 1.11E+04 2.41 0 10.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1950 Cds-CtCs_Cds-CtCs CsJ-CdCsH 300-1500 1.93E+03 2.41 0 10.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1951 Cds-CtCs_Cds-CtCs CsJ-CdCsCs 300-1500 2.49E+02 2.41 0 9.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1952 Cds-CtCs_Cds-CtCs CsJ-CdCdH 300-1500 3.89E+03 2.41 0 15.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1953 Cds-CtCs_Cds-CtCs CsJ-CdCdCs 300-1500 1.33E+03 2.41 0 15.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1954 Cds-CtCs_Cds-CtCs CsJ-CbHH 300-1500 5.13E+03 2.41 0 8.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1955 Cds-CtCs_Cds-CtCs CsJ-CbCsH 300-1500 1.26E+03 2.41 0 7.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1956 Cds-CtCs_Cds-CtCs CsJ-CbCsCs 300-1500 2.02E+02 2.41 0 7.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1957 Cds-CtCs_Cds-CtCs CsJ-CtHH 300-1500 4.74E+03 2.41 0 8.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1958 Cds-CtCs_Cds-CtCs CsJ-CtCsH 300-1500 1.07E+03 2.41 0 7.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1959 Cds-CtCs_Cds-CtCs CsJ-CtCsCs 300-1500 2.73E+02 2.41 0 7.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1960 Cds-CtCs_Cds-CtCs CdsJ-H 300-1500 7.17E+03 2.41 0 0.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1961 Cds-CtCs_Cds-CtCs CdsJ-Cs 300-1500 3.80E+03 2.41 0 0.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1962 Cds-CtCs_Cds-CtCs CbJ 300-1500 1.13E+04 2.41 0 -1.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1963 Cds-CtCs_Ca CsJ-HHH 300-1500 7.57E+03 2.41 0 8.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1964 Cds-CtCs_Ca CsJ-CsHH 300-1500 7.69E+02 2.41 0 7.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1965 Cds-CtCs_Ca CsJ-CsCsH 300-1500 6.16E+02 2.41 0 6.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1966 Cds-CtCs_Ca CsJ-CsCsCs 300-1500 4.57E+02 2.41 0 5.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1967 Cds-CtCs_Ca CsJ-CdHH 300-1500 7.98E+03 2.41 0 14.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1968 Cds-CtCs_Ca CsJ-CdCsH 300-1500 1.39E+03 2.41 0 14.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1969 Cds-CtCs_Ca CsJ-CdCsCs 300-1500 1.80E+02 2.41 0 13.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1970 Cds-CtCs_Ca CsJ-CdCdH 300-1500 2.80E+03 2.41 0 19.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1971 Cds-CtCs_Ca CsJ-CdCdCs 300-1500 9.57E+02 2.41 0 19.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1972 Cds-CtCs_Ca CsJ-CbHH 300-1500 3.70E+03 2.41 0 12.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1973 Cds-CtCs_Ca CsJ-CbCsH 300-1500 9.11E+02 2.41 0 11.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1974 Cds-CtCs_Ca CsJ-CbCsCs 300-1500 1.46E+02 2.41 0 11.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1975 Cds-CtCs_Ca CsJ-CtHH 300-1500 3.42E+03 2.41 0 12.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1976 Cds-CtCs_Ca CsJ-CtCsH 300-1500 7.72E+02 2.41 0 11.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1977 Cds-CtCs_Ca CsJ-CtCsCs 300-1500 1.97E+02 2.41 0 11.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1978 Cds-CtCs_Ca CdsJ-H 300-1500 5.18E+03 2.41 0 4.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1979 Cds-CtCs_Ca CdsJ-Cs 300-1500 2.74E+03 2.41 0 4.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1980 Cds-CtCs_Ca CbJ 300-1500 8.18E+03 2.41 0 2.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -1981 Ca_Cds-HH CsJ-HHH 300-1500 3.90E+04 2.41 0 7.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1982 Ca_Cds-HH CsJ-CsHH 300-1500 3.96E+03 2.41 0 7.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1983 Ca_Cds-HH CsJ-CsCsH 300-1500 3.18E+03 2.41 0 6.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1984 Ca_Cds-HH CsJ-CsCsCs 300-1500 2.35E+03 2.41 0 4.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1985 Ca_Cds-HH CsJ-CdHH 300-1500 4.12E+04 2.41 0 14.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1986 Ca_Cds-HH CsJ-CdCsH 300-1500 7.17E+03 2.41 0 13.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1987 Ca_Cds-HH CsJ-CdCsCs 300-1500 9.27E+02 2.41 0 12.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1988 Ca_Cds-HH CsJ-CdCdH 300-1500 1.45E+04 2.41 0 18.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1989 Ca_Cds-HH CsJ-CdCdCs 300-1500 4.94E+03 2.41 0 18.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1990 Ca_Cds-HH CsJ-CbHH 300-1500 1.91E+04 2.41 0 11.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1991 Ca_Cds-HH CsJ-CbCsH 300-1500 4.69E+03 2.41 0 11.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1992 Ca_Cds-HH CsJ-CbCsCs 300-1500 7.51E+02 2.41 0 10.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1993 Ca_Cds-HH CsJ-CtHH 300-1500 1.76E+04 2.41 0 11.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1994 Ca_Cds-HH CsJ-CtCsH 300-1500 3.98E+03 2.41 0 11.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1995 Ca_Cds-HH CsJ-CtCsCs 300-1500 1.01E+03 2.41 0 10.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1996 Ca_Cds-HH CdsJ-H 300-1500 2.67E+04 2.41 0 3.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1997 Ca_Cds-HH CdsJ-Cs 300-1500 1.42E+04 2.41 0 3.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1998 Ca_Cds-HH CbJ 300-1500 4.22E+04 2.41 0 1.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1999 Ca_Cds-CsH CsJ-HHH 300-1500 4.47E+04 2.41 0 6.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2000 Ca_Cds-CsH CsJ-CsHH 300-1500 4.54E+03 2.41 0 6.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2001 Ca_Cds-CsH CsJ-CsCsH 300-1500 3.64E+03 2.41 0 4.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2002 Ca_Cds-CsH CsJ-CsCsCs 300-1500 2.70E+03 2.41 0 3.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2003 Ca_Cds-CsH CsJ-CdHH 300-1500 4.72E+04 2.41 0 13.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2004 Ca_Cds-CsH CsJ-CdCsH 300-1500 8.22E+03 2.41 0 12.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2005 Ca_Cds-CsH CsJ-CdCsCs 300-1500 1.06E+03 2.41 0 11.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2006 Ca_Cds-CsH CsJ-CdCdH 300-1500 1.66E+04 2.41 0 17.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2007 Ca_Cds-CsH CsJ-CdCdCs 300-1500 5.66E+03 2.41 0 17.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2008 Ca_Cds-CsH CsJ-CbHH 300-1500 2.19E+04 2.41 0 10.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2009 Ca_Cds-CsH CsJ-CbCsH 300-1500 5.38E+03 2.41 0 10.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2010 Ca_Cds-CsH CsJ-CbCsCs 300-1500 8.61E+02 2.41 0 9.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2011 Ca_Cds-CsH CsJ-CtHH 300-1500 2.02E+04 2.41 0 10.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2012 Ca_Cds-CsH CsJ-CtCsH 300-1500 4.56E+03 2.41 0 9.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2013 Ca_Cds-CsH CsJ-CtCsCs 300-1500 1.16E+03 2.41 0 9.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2014 Ca_Cds-CsH CdsJ-H 300-1500 3.06E+04 2.41 0 2.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2015 Ca_Cds-CsH CdsJ-Cs 300-1500 1.62E+04 2.41 0 2.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2016 Ca_Cds-CsH CbJ 300-1500 4.83E+04 2.41 0 0.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2017 Ca_Cds-CsCs CsJ-HHH 300-1500 5.73E+04 2.41 0 5.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2018 Ca_Cds-CsCs CsJ-CsHH 300-1500 5.82E+03 2.41 0 5.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2019 Ca_Cds-CsCs CsJ-CsCsH 300-1500 4.67E+03 2.41 0 4.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2020 Ca_Cds-CsCs CsJ-CsCsCs 300-1500 3.46E+03 2.41 0 2.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2021 Ca_Cds-CsCs CsJ-CdHH 300-1500 6.05E+04 2.41 0 12.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2022 Ca_Cds-CsCs CsJ-CdCsH 300-1500 1.05E+04 2.41 0 11.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2023 Ca_Cds-CsCs CsJ-CdCsCs 300-1500 1.36E+03 2.41 0 10.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2024 Ca_Cds-CsCs CsJ-CdCdH 300-1500 2.12E+04 2.41 0 16.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2025 Ca_Cds-CsCs CsJ-CdCdCs 300-1500 7.25E+03 2.41 0 16.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2026 Ca_Cds-CsCs CsJ-CbHH 300-1500 2.80E+04 2.41 0 9.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2027 Ca_Cds-CsCs CsJ-CbCsH 300-1500 6.89E+03 2.41 0 9.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2028 Ca_Cds-CsCs CsJ-CbCsCs 300-1500 1.10E+03 2.41 0 8.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2029 Ca_Cds-CsCs CsJ-CtHH 300-1500 2.59E+04 2.41 0 9.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2030 Ca_Cds-CsCs CsJ-CtCsH 300-1500 5.84E+03 2.41 0 9.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2031 Ca_Cds-CsCs CsJ-CtCsCs 300-1500 1.49E+03 2.41 0 8.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2032 Ca_Cds-CsCs CdsJ-H 300-1500 3.92E+04 2.41 0 2.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2033 Ca_Cds-CsCs CdsJ-Cs 300-1500 2.08E+04 2.41 0 1.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2034 Ca_Cds-CsCs CbJ 300-1500 6.19E+04 2.41 0 -0.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -2035 Ct-H_Ct-H CsJ-HHH 300-1500 6.69E+04 2.41 0 6.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2036 Ct-H_Ct-H CsJ-CsHH 300-1500 6.80E+03 2.41 0 6.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2037 Ct-H_Ct-H CsJ-CsCsH 300-1500 5.45E+03 2.41 0 5.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2038 Ct-H_Ct-H CsJ-CsCsCs 300-1500 4.04E+03 2.41 0 3.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2039 Ct-H_Ct-H CsJ-CdHH 300-1500 7.06E+04 2.41 0 13.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2040 Ct-H_Ct-H CsJ-CdCsH 300-1500 1.23E+04 2.41 0 12.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2041 Ct-H_Ct-H CsJ-CdCsCs 300-1500 1.59E+03 2.41 0 11.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2042 Ct-H_Ct-H CsJ-CdCdH 300-1500 2.48E+04 2.41 0 17.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2043 Ct-H_Ct-H CsJ-CdCdCs 300-1500 8.47E+03 2.41 0 17.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2044 Ct-H_Ct-H CsJ-CbHH 300-1500 3.28E+04 2.41 0 10.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2045 Ct-H_Ct-H CsJ-CbCsH 300-1500 8.06E+03 2.41 0 10.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2046 Ct-H_Ct-H CsJ-CbCsCs 300-1500 1.29E+03 2.41 0 9.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2047 Ct-H_Ct-H CsJ-CtHH 300-1500 3.03E+04 2.41 0 10.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2048 Ct-H_Ct-H CsJ-CtCsH 300-1500 6.83E+03 2.41 0 10.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2049 Ct-H_Ct-H CsJ-CtCsCs 300-1500 1.74E+03 2.41 0 9.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2050 Ct-H_Ct-H CdsJ-H 300-1500 4.58E+04 2.41 0 2.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2051 Ct-H_Ct-H CdsJ-Cs 300-1500 2.43E+04 2.41 0 2.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2052 Ct-H_Ct-H CbJ 300-1500 7.23E+04 2.41 0 0.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2053 Ct-H_Ct-Cs CsJ-HHH 300-1500 1.78E+05 2.41 0 7.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2054 Ct-H_Ct-Cs CsJ-CsHH 300-1500 1.81E+04 2.41 0 6.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2055 Ct-H_Ct-Cs CsJ-CsCsH 300-1500 1.45E+04 2.41 0 5.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2056 Ct-H_Ct-Cs CsJ-CsCsCs 300-1500 1.07E+04 2.41 0 4.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2057 Ct-H_Ct-Cs CsJ-CdHH 300-1500 1.88E+05 2.41 0 13.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2058 Ct-H_Ct-Cs CsJ-CdCsH 300-1500 3.27E+04 2.41 0 13.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2059 Ct-H_Ct-Cs CsJ-CdCsCs 300-1500 4.22E+03 2.41 0 12.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2060 Ct-H_Ct-Cs CsJ-CdCdH 300-1500 6.59E+04 2.41 0 18.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2061 Ct-H_Ct-Cs CsJ-CdCdCs 300-1500 2.25E+04 2.41 0 17.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2062 Ct-H_Ct-Cs CsJ-CbHH 300-1500 8.70E+04 2.41 0 11.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2063 Ct-H_Ct-Cs CsJ-CbCsH 300-1500 2.14E+04 2.41 0 10.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2064 Ct-H_Ct-Cs CsJ-CbCsCs 300-1500 3.42E+03 2.41 0 9.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2065 Ct-H_Ct-Cs CsJ-CtHH 300-1500 8.04E+04 2.41 0 10.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2066 Ct-H_Ct-Cs CsJ-CtCsH 300-1500 1.81E+04 2.41 0 10.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2067 Ct-H_Ct-Cs CsJ-CtCsCs 300-1500 4.62E+03 2.41 0 9.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2068 Ct-H_Ct-Cs CdsJ-H 300-1500 1.22E+05 2.41 0 3.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2069 Ct-H_Ct-Cs CdsJ-Cs 300-1500 6.45E+04 2.41 0 3.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2070 Ct-H_Ct-Cs CbJ 300-1500 1.92E+05 2.41 0 0.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2071 Ct-H_Ct-Cd CsJ-HHH 300-1500 2.17E+04 2.41 0 3.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2072 Ct-H_Ct-Cd CsJ-CsHH 300-1500 2.21E+03 2.41 0 3.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2073 Ct-H_Ct-Cd CsJ-CsCsH 300-1500 1.77E+03 2.41 0 2.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2074 Ct-H_Ct-Cd CsJ-CsCsCs 300-1500 1.31E+03 2.41 0 0.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2075 Ct-H_Ct-Cd CsJ-CdHH 300-1500 2.29E+04 2.41 0 10.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2076 Ct-H_Ct-Cd CsJ-CdCsH 300-1500 4.00E+03 2.41 0 10.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2077 Ct-H_Ct-Cd CsJ-CdCsCs 300-1500 5.17E+02 2.41 0 9.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2078 Ct-H_Ct-Cd CsJ-CdCdH 300-1500 8.06E+03 2.41 0 14.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2079 Ct-H_Ct-Cd CsJ-CdCdCs 300-1500 2.75E+03 2.41 0 14.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2080 Ct-H_Ct-Cd CsJ-CbHH 300-1500 1.06E+04 2.41 0 7.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2081 Ct-H_Ct-Cd CsJ-CbCsH 300-1500 2.62E+03 2.41 0 7.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2082 Ct-H_Ct-Cd CsJ-CbCsCs 300-1500 4.19E+02 2.41 0 6.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2083 Ct-H_Ct-Cd CsJ-CtHH 300-1500 9.83E+03 2.41 0 7.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2084 Ct-H_Ct-Cd CsJ-CtCsH 300-1500 2.22E+03 2.41 0 7.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2085 Ct-H_Ct-Cd CsJ-CtCsCs 300-1500 5.66E+02 2.41 0 6.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2086 Ct-H_Ct-Cd CdsJ-H 300-1500 1.49E+04 2.41 0 0.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2087 Ct-H_Ct-Cd CdsJ-Cs 300-1500 7.89E+03 2.41 0 -0.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2088 Ct-H_Ct-Cd CbJ 300-1500 2.35E+04 2.41 0 -2.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2089 Ct-H_Ct-Ct CsJ-HHH 300-1500 2.89E+05 2.41 0 3.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2090 Ct-H_Ct-Ct CsJ-CsHH 300-1500 2.93E+04 2.41 0 2.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2091 Ct-H_Ct-Ct CsJ-CsCsH 300-1500 2.35E+04 2.41 0 1.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2092 Ct-H_Ct-Ct CsJ-CsCsCs 300-1500 1.74E+04 2.41 0 0.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2093 Ct-H_Ct-Ct CsJ-CdHH 300-1500 3.05E+05 2.41 0 9.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2094 Ct-H_Ct-Ct CsJ-CdCsH 300-1500 5.31E+04 2.41 0 9.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2095 Ct-H_Ct-Ct CsJ-CdCsCs 300-1500 6.86E+03 2.41 0 8.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2096 Ct-H_Ct-Ct CsJ-CdCdH 300-1500 1.07E+05 2.41 0 14.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2097 Ct-H_Ct-Ct CsJ-CdCdCs 300-1500 3.65E+04 2.41 0 14.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2098 Ct-H_Ct-Ct CsJ-CbHH 300-1500 1.41E+05 2.41 0 7.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2099 Ct-H_Ct-Ct CsJ-CbCsH 300-1500 3.47E+04 2.41 0 6.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2100 Ct-H_Ct-Ct CsJ-CbCsCs 300-1500 5.56E+03 2.41 0 6.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2101 Ct-H_Ct-Ct CsJ-CtHH 300-1500 1.31E+05 2.41 0 7.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2102 Ct-H_Ct-Ct CsJ-CtCsH 300-1500 2.94E+04 2.41 0 6.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2103 Ct-H_Ct-Ct CsJ-CtCsCs 300-1500 7.51E+03 2.41 0 5.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2104 Ct-H_Ct-Ct CdsJ-H 300-1500 1.97E+05 2.41 0 -0.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2105 Ct-H_Ct-Ct CdsJ-Cs 300-1500 1.05E+05 2.41 0 -0.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2106 Ct-H_Ct-Ct CbJ 300-1500 3.12E+05 2.41 0 -2.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2107 Ct-Cs_Ct-H CsJ-HHH 300-1500 1.38E+05 2.41 0 8.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2108 Ct-Cs_Ct-H CsJ-CsHH 300-1500 1.40E+04 2.41 0 8.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2109 Ct-Cs_Ct-H CsJ-CsCsH 300-1500 1.13E+04 2.41 0 7.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2110 Ct-Cs_Ct-H CsJ-CsCsCs 300-1500 8.35E+03 2.41 0 5.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2111 Ct-Cs_Ct-H CsJ-CdHH 300-1500 1.46E+05 2.41 0 15.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2112 Ct-Cs_Ct-H CsJ-CdCsH 300-1500 2.54E+04 2.41 0 14.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2113 Ct-Cs_Ct-H CsJ-CdCsCs 300-1500 3.29E+03 2.41 0 13.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2114 Ct-Cs_Ct-H CsJ-CdCdH 300-1500 5.13E+04 2.41 0 19.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2115 Ct-Cs_Ct-H CsJ-CdCdCs 300-1500 1.75E+04 2.41 0 19.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2116 Ct-Cs_Ct-H CsJ-CbHH 300-1500 6.77E+04 2.41 0 12.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2117 Ct-Cs_Ct-H CsJ-CbCsH 300-1500 1.66E+04 2.41 0 12.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2118 Ct-Cs_Ct-H CsJ-CbCsCs 300-1500 2.66E+03 2.41 0 11.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2119 Ct-Cs_Ct-H CsJ-CtHH 300-1500 6.26E+04 2.41 0 12.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2120 Ct-Cs_Ct-H CsJ-CtCsH 300-1500 1.41E+04 2.41 0 12.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2121 Ct-Cs_Ct-H CsJ-CtCsCs 300-1500 3.60E+03 2.41 0 11.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2122 Ct-Cs_Ct-H CdsJ-H 300-1500 9.46E+04 2.41 0 4.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2123 Ct-Cs_Ct-H CdsJ-Cs 300-1500 5.02E+04 2.41 0 4.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2124 Ct-Cs_Ct-H CbJ 300-1500 1.50E+05 2.41 0 2.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2125 Ct-Cs_Ct-Cs CsJ-HHH 300-1500 3.67E+05 2.41 0 9.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2126 Ct-Cs_Ct-Cs CsJ-CsHH 300-1500 3.73E+04 2.41 0 8.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2127 Ct-Cs_Ct-Cs CsJ-CsCsH 300-1500 2.99E+04 2.41 0 7.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2128 Ct-Cs_Ct-Cs CsJ-CsCsCs 300-1500 2.22E+04 2.41 0 6.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2129 Ct-Cs_Ct-Cs CsJ-CdHH 300-1500 3.88E+05 2.41 0 15.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2130 Ct-Cs_Ct-Cs CsJ-CdCsH 300-1500 6.75E+04 2.41 0 15.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2131 Ct-Cs_Ct-Cs CsJ-CdCsCs 300-1500 8.73E+03 2.41 0 14.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2132 Ct-Cs_Ct-Cs CsJ-CdCdH 300-1500 1.36E+05 2.41 0 20.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2133 Ct-Cs_Ct-Cs CsJ-CdCdCs 300-1500 4.65E+04 2.41 0 19.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2134 Ct-Cs_Ct-Cs CsJ-CbHH 300-1500 1.80E+05 2.41 0 13.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2135 Ct-Cs_Ct-Cs CsJ-CbCsH 300-1500 4.42E+04 2.41 0 12.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2136 Ct-Cs_Ct-Cs CsJ-CbCsCs 300-1500 7.07E+03 2.41 0 11.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2137 Ct-Cs_Ct-Cs CsJ-CtHH 300-1500 1.66E+05 2.41 0 12.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2138 Ct-Cs_Ct-Cs CsJ-CtCsH 300-1500 3.75E+04 2.41 0 12.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2139 Ct-Cs_Ct-Cs CsJ-CtCsCs 300-1500 9.56E+03 2.41 0 11.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2140 Ct-Cs_Ct-Cs CdsJ-H 300-1500 2.51E+05 2.41 0 5.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2141 Ct-Cs_Ct-Cs CdsJ-Cs 300-1500 1.33E+05 2.41 0 5.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2142 Ct-Cs_Ct-Cs CbJ 300-1500 3.97E+05 2.41 0 3.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2143 Ct-Cs_Ct-Cd CsJ-HHH 300-1500 4.49E+04 2.41 0 5.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2144 Ct-Cs_Ct-Cd CsJ-CsHH 300-1500 4.56E+03 2.41 0 5.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2145 Ct-Cs_Ct-Cd CsJ-CsCsH 300-1500 3.66E+03 2.41 0 4.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2146 Ct-Cs_Ct-Cd CsJ-CsCsCs 300-1500 2.71E+03 2.41 0 2.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2147 Ct-Cs_Ct-Cd CsJ-CdHH 300-1500 4.74E+04 2.41 0 12.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2148 Ct-Cs_Ct-Cd CsJ-CdCsH 300-1500 8.26E+03 2.41 0 12.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2149 Ct-Cs_Ct-Cd CsJ-CdCsCs 300-1500 1.07E+03 2.41 0 11.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2150 Ct-Cs_Ct-Cd CsJ-CdCdH 300-1500 1.67E+04 2.41 0 16.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2151 Ct-Cs_Ct-Cd CsJ-CdCdCs 300-1500 5.68E+03 2.41 0 16.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2152 Ct-Cs_Ct-Cd CsJ-CbHH 300-1500 2.20E+04 2.41 0 9.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2153 Ct-Cs_Ct-Cd CsJ-CbCsH 300-1500 5.41E+03 2.41 0 9.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2154 Ct-Cs_Ct-Cd CsJ-CbCsCs 300-1500 8.65E+02 2.41 0 8.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2155 Ct-Cs_Ct-Cd CsJ-CtHH 300-1500 2.03E+04 2.41 0 9.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2156 Ct-Cs_Ct-Cd CsJ-CtCsH 300-1500 4.58E+03 2.41 0 9.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2157 Ct-Cs_Ct-Cd CsJ-CtCsCs 300-1500 1.17E+03 2.41 0 8.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2158 Ct-Cs_Ct-Cd CdsJ-H 300-1500 3.07E+04 2.41 0 2.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2159 Ct-Cs_Ct-Cd CdsJ-Cs 300-1500 1.63E+04 2.41 0 1.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2160 Ct-Cs_Ct-Cd CbJ 300-1500 4.86E+04 2.41 0 -0.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2161 Ct-Cs_Ct-Ct CsJ-HHH 300-1500 5.97E+05 2.41 0 5.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2162 Ct-Cs_Ct-Ct CsJ-CsHH 300-1500 6.06E+04 2.41 0 4.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2163 Ct-Cs_Ct-Ct CsJ-CsCsH 300-1500 4.86E+04 2.41 0 3.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2164 Ct-Cs_Ct-Ct CsJ-CsCsCs 300-1500 3.60E+04 2.41 0 2.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2165 Ct-Cs_Ct-Ct CsJ-CdHH 300-1500 6.30E+05 2.41 0 11.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2166 Ct-Cs_Ct-Ct CsJ-CdCsH 300-1500 1.10E+05 2.41 0 11.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2167 Ct-Cs_Ct-Ct CsJ-CdCsCs 300-1500 1.42E+04 2.41 0 10.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2168 Ct-Cs_Ct-Ct CsJ-CdCdH 300-1500 2.21E+05 2.41 0 16.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2169 Ct-Cs_Ct-Ct CsJ-CdCdCs 300-1500 7.55E+04 2.41 0 16.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2170 Ct-Cs_Ct-Ct CsJ-CbHH 300-1500 2.92E+05 2.41 0 9.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2171 Ct-Cs_Ct-Ct CsJ-CbCsH 300-1500 7.18E+04 2.41 0 8.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2172 Ct-Cs_Ct-Ct CsJ-CbCsCs 300-1500 1.15E+04 2.41 0 8.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2173 Ct-Cs_Ct-Ct CsJ-CtHH 300-1500 2.70E+05 2.41 0 9.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2174 Ct-Cs_Ct-Ct CsJ-CtCsH 300-1500 6.08E+04 2.41 0 8.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2175 Ct-Cs_Ct-Ct CsJ-CtCsCs 300-1500 1.55E+04 2.41 0 7.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2176 Ct-Cs_Ct-Ct CdsJ-H 300-1500 4.08E+05 2.41 0 1.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2177 Ct-Cs_Ct-Ct CdsJ-Cs 300-1500 2.16E+05 2.41 0 1.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2178 Ct-Cs_Ct-Ct CbJ 300-1500 6.45E+05 2.41 0 -0.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2179 Ct-Cd_Ct-H CsJ-HHH 300-1500 3.69E+04 2.41 0 8.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2180 Ct-Cd_Ct-H CsJ-CsHH 300-1500 3.75E+03 2.41 0 8.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2181 Ct-Cd_Ct-H CsJ-CsCsH 300-1500 3.01E+03 2.41 0 6.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2182 Ct-Cd_Ct-H CsJ-CsCsCs 300-1500 2.23E+03 2.41 0 5.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2183 Ct-Cd_Ct-H CsJ-CdHH 300-1500 3.90E+04 2.41 0 14.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2184 Ct-Cd_Ct-H CsJ-CdCsH 300-1500 6.79E+03 2.41 0 14.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2185 Ct-Cd_Ct-H CsJ-CdCsCs 300-1500 8.78E+02 2.41 0 13.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2186 Ct-Cd_Ct-H CsJ-CdCdH 300-1500 1.37E+04 2.41 0 19.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2187 Ct-Cd_Ct-H CsJ-CdCdCs 300-1500 4.67E+03 2.41 0 19.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2188 Ct-Cd_Ct-H CsJ-CbHH 300-1500 1.81E+04 2.41 0 12.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2189 Ct-Cd_Ct-H CsJ-CbCsH 300-1500 4.44E+03 2.41 0 11.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2190 Ct-Cd_Ct-H CsJ-CbCsCs 300-1500 7.11E+02 2.41 0 11.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2191 Ct-Cd_Ct-H CsJ-CtHH 300-1500 1.67E+04 2.41 0 12.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2192 Ct-Cd_Ct-H CsJ-CtCsH 300-1500 3.77E+03 2.41 0 11.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2193 Ct-Cd_Ct-H CsJ-CtCsCs 300-1500 9.61E+02 2.41 0 11.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2194 Ct-Cd_Ct-H CdsJ-H 300-1500 2.53E+04 2.41 0 4.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2195 Ct-Cd_Ct-H CdsJ-Cs 300-1500 1.34E+04 2.41 0 4.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2196 Ct-Cd_Ct-H CbJ 300-1500 3.99E+04 2.41 0 2.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2197 Ct-Cd_Ct-Cs CsJ-HHH 300-1500 9.81E+04 2.41 0 9.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2198 Ct-Cd_Ct-Cs CsJ-CsHH 300-1500 9.96E+03 2.41 0 8.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2199 Ct-Cd_Ct-Cs CsJ-CsCsH 300-1500 7.99E+03 2.41 0 7.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2200 Ct-Cd_Ct-Cs CsJ-CsCsCs 300-1500 5.92E+03 2.41 0 5.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2201 Ct-Cd_Ct-Cs CsJ-CdHH 300-1500 1.03E+05 2.41 0 15.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2202 Ct-Cd_Ct-Cs CsJ-CdCsH 300-1500 1.80E+04 2.41 0 15.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2203 Ct-Cd_Ct-Cs CsJ-CdCsCs 300-1500 2.33E+03 2.41 0 14.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2204 Ct-Cd_Ct-Cs CsJ-CdCdH 300-1500 3.63E+04 2.41 0 19.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2205 Ct-Cd_Ct-Cs CsJ-CdCdCs 300-1500 1.24E+04 2.41 0 19.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2206 Ct-Cd_Ct-Cs CsJ-CbHH 300-1500 4.80E+04 2.41 0 13.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2207 Ct-Cd_Ct-Cs CsJ-CbCsH 300-1500 1.18E+04 2.41 0 12.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2208 Ct-Cd_Ct-Cs CsJ-CbCsCs 300-1500 1.89E+03 2.41 0 11.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2209 Ct-Cd_Ct-Cs CsJ-CtHH 300-1500 4.44E+04 2.41 0 12.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2210 Ct-Cd_Ct-Cs CsJ-CtCsH 300-1500 1.00E+04 2.41 0 12.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2211 Ct-Cd_Ct-Cs CsJ-CtCsCs 300-1500 2.55E+03 2.41 0 11.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2212 Ct-Cd_Ct-Cs CdsJ-H 300-1500 6.71E+04 2.41 0 5.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2213 Ct-Cd_Ct-Cs CdsJ-Cs 300-1500 3.56E+04 2.41 0 5.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2214 Ct-Cd_Ct-Cs CbJ 300-1500 1.06E+05 2.41 0 2.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2215 Ct-Cd_Ct-Cd CsJ-HHH 300-1500 1.20E+04 2.41 0 5.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2216 Ct-Cd_Ct-Cd CsJ-CsHH 300-1500 1.22E+03 2.41 0 5.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2217 Ct-Cd_Ct-Cd CsJ-CsCsH 300-1500 9.77E+02 2.41 0 4.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2218 Ct-Cd_Ct-Cd CsJ-CsCsCs 300-1500 7.24E+02 2.41 0 2.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2219 Ct-Cd_Ct-Cd CsJ-CdHH 300-1500 1.27E+04 2.41 0 12.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2220 Ct-Cd_Ct-Cd CsJ-CdCsH 300-1500 2.20E+03 2.41 0 11.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2221 Ct-Cd_Ct-Cd CsJ-CdCsCs 300-1500 2.85E+02 2.41 0 10.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2222 Ct-Cd_Ct-Cd CsJ-CdCdH 300-1500 4.45E+03 2.41 0 16.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2223 Ct-Cd_Ct-Cd CsJ-CdCdCs 300-1500 1.52E+03 2.41 0 16.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2224 Ct-Cd_Ct-Cd CsJ-CbHH 300-1500 5.87E+03 2.41 0 9.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2225 Ct-Cd_Ct-Cd CsJ-CbCsH 300-1500 1.44E+03 2.41 0 9.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2226 Ct-Cd_Ct-Cd CsJ-CbCsCs 300-1500 2.31E+02 2.41 0 8.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2227 Ct-Cd_Ct-Cd CsJ-CtHH 300-1500 5.43E+03 2.41 0 9.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2228 Ct-Cd_Ct-Cd CsJ-CtCsH 300-1500 1.22E+03 2.41 0 9.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2229 Ct-Cd_Ct-Cd CsJ-CtCsCs 300-1500 3.12E+02 2.41 0 8.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2230 Ct-Cd_Ct-Cd CdsJ-H 300-1500 8.21E+03 2.41 0 1.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2231 Ct-Cd_Ct-Cd CdsJ-Cs 300-1500 4.35E+03 2.41 0 1.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2232 Ct-Cd_Ct-Cd CbJ 300-1500 1.30E+04 2.41 0 -0.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2233 Ct-Cd_Ct-Ct CsJ-HHH 300-1500 1.59E+05 2.41 0 5.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2234 Ct-Cd_Ct-Ct CsJ-CsHH 300-1500 1.62E+04 2.41 0 4.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2235 Ct-Cd_Ct-Ct CsJ-CsCsH 300-1500 1.30E+04 2.41 0 3.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2236 Ct-Cd_Ct-Ct CsJ-CsCsCs 300-1500 9.61E+03 2.41 0 2.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2237 Ct-Cd_Ct-Ct CsJ-CdHH 300-1500 1.68E+05 2.41 0 11.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2238 Ct-Cd_Ct-Ct CsJ-CdCsH 300-1500 2.93E+04 2.41 0 11.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2239 Ct-Cd_Ct-Ct CsJ-CdCsCs 300-1500 3.79E+03 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2240 Ct-Cd_Ct-Ct CsJ-CdCdH 300-1500 5.90E+04 2.41 0 16.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2241 Ct-Cd_Ct-Ct CsJ-CdCdCs 300-1500 2.02E+04 2.41 0 15.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2242 Ct-Cd_Ct-Ct CsJ-CbHH 300-1500 7.79E+04 2.41 0 9.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2243 Ct-Cd_Ct-Ct CsJ-CbCsH 300-1500 1.92E+04 2.41 0 8.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2244 Ct-Cd_Ct-Ct CsJ-CbCsCs 300-1500 3.07E+03 2.41 0 7.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2245 Ct-Cd_Ct-Ct CsJ-CtHH 300-1500 7.20E+04 2.41 0 8.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2246 Ct-Cd_Ct-Ct CsJ-CtCsH 300-1500 1.62E+04 2.41 0 8.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2247 Ct-Cd_Ct-Ct CsJ-CtCsCs 300-1500 4.14E+03 2.41 0 7.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2248 Ct-Cd_Ct-Ct CdsJ-H 300-1500 1.09E+05 2.41 0 1.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2249 Ct-Cd_Ct-Ct CdsJ-Cs 300-1500 5.78E+04 2.41 0 1.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2250 Ct-Cd_Ct-Ct CbJ 300-1500 1.72E+05 2.41 0 -0.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2251 Ct-Ct_Ct-H CsJ-HHH 300-1500 1.02E+05 2.41 0 8.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2252 Ct-Ct_Ct-H CsJ-CsHH 300-1500 1.04E+04 2.41 0 7.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2253 Ct-Ct_Ct-H CsJ-CsCsH 300-1500 8.34E+03 2.41 0 6.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2254 Ct-Ct_Ct-H CsJ-CsCsCs 300-1500 6.18E+03 2.41 0 5.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2255 Ct-Ct_Ct-H CsJ-CdHH 300-1500 1.08E+05 2.41 0 14.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2256 Ct-Ct_Ct-H CsJ-CdCsH 300-1500 1.88E+04 2.41 0 14.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2257 Ct-Ct_Ct-H CsJ-CdCsCs 300-1500 2.43E+03 2.41 0 13.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2258 Ct-Ct_Ct-H CsJ-CdCdH 300-1500 3.79E+04 2.41 0 19.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2259 Ct-Ct_Ct-H CsJ-CdCdCs 300-1500 1.30E+04 2.41 0 18.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2260 Ct-Ct_Ct-H CsJ-CbHH 300-1500 5.01E+04 2.41 0 12.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2261 Ct-Ct_Ct-H CsJ-CbCsH 300-1500 1.23E+04 2.41 0 11.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2262 Ct-Ct_Ct-H CsJ-CbCsCs 300-1500 1.97E+03 2.41 0 11.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2263 Ct-Ct_Ct-H CsJ-CtHH 300-1500 4.63E+04 2.41 0 12.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2264 Ct-Ct_Ct-H CsJ-CtCsH 300-1500 1.04E+04 2.41 0 11.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2265 Ct-Ct_Ct-H CsJ-CtCsCs 300-1500 2.66E+03 2.41 0 10.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2266 Ct-Ct_Ct-H CdsJ-H 300-1500 7.00E+04 2.41 0 4.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2267 Ct-Ct_Ct-H CdsJ-Cs 300-1500 3.71E+04 2.41 0 4.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2268 Ct-Ct_Ct-H CbJ 300-1500 1.11E+05 2.41 0 2.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2269 Ct-Ct_Ct-Cs CsJ-HHH 300-1500 2.72E+05 2.41 0 8.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2270 Ct-Ct_Ct-Cs CsJ-CsHH 300-1500 2.76E+04 2.41 0 8.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2271 Ct-Ct_Ct-Cs CsJ-CsCsH 300-1500 2.21E+04 2.41 0 7.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2272 Ct-Ct_Ct-Cs CsJ-CsCsCs 300-1500 1.64E+04 2.41 0 5.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2273 Ct-Ct_Ct-Cs CsJ-CdHH 300-1500 2.87E+05 2.41 0 15.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2274 Ct-Ct_Ct-Cs CsJ-CdCsH 300-1500 5.00E+04 2.41 0 14.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2275 Ct-Ct_Ct-Cs CsJ-CdCsCs 300-1500 6.46E+03 2.41 0 13.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2276 Ct-Ct_Ct-Cs CsJ-CdCdH 300-1500 1.01E+05 2.41 0 19.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2277 Ct-Ct_Ct-Cs CsJ-CdCdCs 300-1500 3.44E+04 2.41 0 19.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2278 Ct-Ct_Ct-Cs CsJ-CbHH 300-1500 1.33E+05 2.41 0 12.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2279 Ct-Ct_Ct-Cs CsJ-CbCsH 300-1500 3.27E+04 2.41 0 12.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2280 Ct-Ct_Ct-Cs CsJ-CbCsCs 300-1500 5.23E+03 2.41 0 11.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2281 Ct-Ct_Ct-Cs CsJ-CtHH 300-1500 1.23E+05 2.41 0 12.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2282 Ct-Ct_Ct-Cs CsJ-CtCsH 300-1500 2.77E+04 2.41 0 12.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2283 Ct-Ct_Ct-Cs CsJ-CtCsCs 300-1500 7.07E+03 2.41 0 11.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2284 Ct-Ct_Ct-Cs CdsJ-H 300-1500 1.86E+05 2.41 0 4.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2285 Ct-Ct_Ct-Cs CdsJ-Cs 300-1500 9.86E+04 2.41 0 4.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2286 Ct-Ct_Ct-Cs CbJ 300-1500 2.94E+05 2.41 0 2.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2287 Ct-Ct_Ct-Cd CsJ-HHH 300-1500 3.33E+04 2.41 0 5.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2288 Ct-Ct_Ct-Cd CsJ-CsHH 300-1500 3.38E+03 2.41 0 4.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2289 Ct-Ct_Ct-Cd CsJ-CsCsH 300-1500 2.71E+03 2.41 0 3.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2290 Ct-Ct_Ct-Cd CsJ-CsCsCs 300-1500 2.01E+03 2.41 0 2.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2291 Ct-Ct_Ct-Cd CsJ-CdHH 300-1500 3.51E+04 2.41 0 11.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2292 Ct-Ct_Ct-Cd CsJ-CdCsH 300-1500 6.11E+03 2.41 0 11.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2293 Ct-Ct_Ct-Cd CsJ-CdCsCs 300-1500 7.90E+02 2.41 0 10.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2294 Ct-Ct_Ct-Cd CsJ-CdCdH 300-1500 1.23E+04 2.41 0 16.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2295 Ct-Ct_Ct-Cd CsJ-CdCdCs 300-1500 4.21E+03 2.41 0 16.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2296 Ct-Ct_Ct-Cd CsJ-CbHH 300-1500 1.63E+04 2.41 0 9.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2297 Ct-Ct_Ct-Cd CsJ-CbCsH 300-1500 4.00E+03 2.41 0 8.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2298 Ct-Ct_Ct-Cd CsJ-CbCsCs 300-1500 6.40E+02 2.41 0 8.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2299 Ct-Ct_Ct-Cd CsJ-CtHH 300-1500 1.50E+04 2.41 0 9.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2300 Ct-Ct_Ct-Cd CsJ-CtCsH 300-1500 3.39E+03 2.41 0 8.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2301 Ct-Ct_Ct-Cd CsJ-CtCsCs 300-1500 8.65E+02 2.41 0 8.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2302 Ct-Ct_Ct-Cd CdsJ-H 300-1500 2.27E+04 2.41 0 1.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2303 Ct-Ct_Ct-Cd CdsJ-Cs 300-1500 1.21E+04 2.41 0 1.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2304 Ct-Ct_Ct-Cd CbJ 300-1500 3.59E+04 2.41 0 -0.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2305 Ct-Ct_Ct-Ct CsJ-HHH 300-1500 4.41E+05 2.41 0 4.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2306 Ct-Ct_Ct-Ct CsJ-CsHH 300-1500 4.48E+04 2.41 0 4.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2307 Ct-Ct_Ct-Ct CsJ-CsCsH 300-1500 3.60E+04 2.41 0 3.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2308 Ct-Ct_Ct-Ct CsJ-CsCsCs 300-1500 2.66E+04 2.41 0 1.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2309 Ct-Ct_Ct-Ct CsJ-CdHH 300-1500 4.66E+05 2.41 0 11.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2310 Ct-Ct_Ct-Ct CsJ-CdCsH 300-1500 8.12E+04 2.41 0 11.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2311 Ct-Ct_Ct-Ct CsJ-CdCsCs 300-1500 1.05E+04 2.41 0 10.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2312 Ct-Ct_Ct-Ct CsJ-CdCdH 300-1500 1.64E+05 2.41 0 15.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2313 Ct-Ct_Ct-Ct CsJ-CdCdCs 300-1500 5.59E+04 2.41 0 15.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2314 Ct-Ct_Ct-Ct CsJ-CbHH 300-1500 2.16E+05 2.41 0 8.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2315 Ct-Ct_Ct-Ct CsJ-CbCsH 300-1500 5.31E+04 2.41 0 8.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2316 Ct-Ct_Ct-Ct CsJ-CbCsCs 300-1500 8.50E+03 2.41 0 7.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2317 Ct-Ct_Ct-Ct CsJ-CtHH 300-1500 2.00E+05 2.41 0 8.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2318 Ct-Ct_Ct-Ct CsJ-CtCsH 300-1500 4.50E+04 2.41 0 8.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2319 Ct-Ct_Ct-Ct CsJ-CtCsCs 300-1500 1.15E+04 2.41 0 7.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2320 Ct-Ct_Ct-Ct CdsJ-H 300-1500 3.02E+05 2.41 0 1.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2321 Ct-Ct_Ct-Ct CdsJ-Cs 300-1500 1.60E+05 2.41 0 0.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2322 Ct-Ct_Ct-Ct CbJ 300-1500 4.77E+05 2.41 0 -1.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - - -2323 Cds-HH_Cds-HH HJ 300-1500 4.61E+08 1.64 0 1.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2324 Cds-HH_Cds-CsH HJ 300-1500 4.95E+08 1.64 0 0.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2325 Cds-HH_Cds-CsCs HJ 300-1500 5.74E+08 1.64 0 -0.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2326 Cds-HH_Cds-CdH HJ 300-1500 4.59E+08 1.64 0 -0.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2327 Cds-HH_Cds-CdCs HJ 300-1500 5.14E+08 1.64 0 -0.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2328 Cds-HH_Cds-CdCd HJ 300-1500 2.47E+08 1.64 0 -1.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2329 Cds-HH_Cds-CtH HJ 300-1500 4.44E+08 1.64 0 -0.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2330 Cds-HH_Cds-CtCs HJ 300-1500 5.10E+08 1.64 0 -0.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2331 Cds-HH_Cds-CdCt HJ 300-1500 1.51E+08 1.64 0 -1.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2332 Cds-HH_Cds-CtCt HJ 300-1500 4.47E+08 1.64 0 -0.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2333 Cds-HH_Cds-CbH HJ 300-1500 1.20E+08 1.64 0 1.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2334 Cds-HH_Cds-CbCs HJ 300-1500 3.52E+08 1.64 0 1.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2335 Cds-HH_Ca HJ 300-1500 4.17E+08 1.64 0 1.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2336 Cds-CsH_Cds-HH HJ 300-1500 2.71E+08 1.64 0 1.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2337 Cds-CsH_Cds-CsH HJ 300-1500 2.90E+08 1.64 0 1.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2338 Cds-CsH_Cds-CsCs HJ 300-1500 3.37E+08 1.64 0 0.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2339 Cds-CsH_Cds-CdH HJ 300-1500 2.69E+08 1.64 0 0.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2340 Cds-CsH_Cds-CdCs HJ 300-1500 3.02E+08 1.64 0 0.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2341 Cds-CsH_Cds-CdCd HJ 300-1500 1.45E+08 1.64 0 -0.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2342 Cds-CsH_Cds-CtH HJ 300-1500 2.60E+08 1.64 0 0.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2343 Cds-CsH_Cds-CtCs HJ 300-1500 2.99E+08 1.64 0 0.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2344 Cds-CsH_Cds-CdCt HJ 300-1500 8.85E+07 1.64 0 -0.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2345 Cds-CsH_Cds-CtCt HJ 300-1500 2.63E+08 1.64 0 0.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2346 Cds-CsH_Cds-CbH HJ 300-1500 7.01E+07 1.64 0 2.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2347 Cds-CsH_Cds-CbCs HJ 300-1500 2.07E+08 1.64 0 1.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2348 Cds-CsH_Ca HJ 300-1500 2.45E+08 1.64 0 2.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2349 Cds-CsCs_Cds-HH HJ 300-1500 1.43E+08 1.64 0 2.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2350 Cds-CsCs_Cds-CsH HJ 300-1500 1.54E+08 1.64 0 2.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2351 Cds-CsCs_Cds-CsCs HJ 300-1500 1.78E+08 1.64 0 1.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2352 Cds-CsCs_Cds-CdH HJ 300-1500 1.43E+08 1.64 0 1.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2353 Cds-CsCs_Cds-CdCs HJ 300-1500 1.60E+08 1.64 0 0.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2354 Cds-CsCs_Cds-CdCd HJ 300-1500 7.68E+07 1.64 0 0.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2355 Cds-CsCs_Cds-CtH HJ 300-1500 1.38E+08 1.64 0 1.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2356 Cds-CsCs_Cds-CtCs HJ 300-1500 1.59E+08 1.64 0 1.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2357 Cds-CsCs_Cds-CdCt HJ 300-1500 4.69E+07 1.64 0 0.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2358 Cds-CsCs_Cds-CtCt HJ 300-1500 1.39E+08 1.64 0 0.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2359 Cds-CsCs_Cds-CbH HJ 300-1500 3.72E+07 1.64 0 3.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2360 Cds-CsCs_Cds-CbCs HJ 300-1500 1.10E+08 1.64 0 2.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2361 Cds-CsCs_Ca HJ 300-1500 1.30E+08 1.64 0 2.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2362 Cds-CdH_Cds-HH HJ 300-1500 3.23E+08 1.64 0 2.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2363 Cds-CdH_Cds-CsH HJ 300-1500 3.47E+08 1.64 0 1.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2364 Cds-CdH_Cds-CsCs HJ 300-1500 4.02E+08 1.64 0 1.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2365 Cds-CdH_Cds-CdH HJ 300-1500 3.22E+08 1.64 0 0.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2366 Cds-CdH_Cds-CdCs HJ 300-1500 3.60E+08 1.64 0 0.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2367 Cds-CdH_Cds-CdCd HJ 300-1500 1.73E+08 1.64 0 -0.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2368 Cds-CdH_Cds-CtH HJ 300-1500 3.11E+08 1.64 0 1.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2369 Cds-CdH_Cds-CtCs HJ 300-1500 3.57E+08 1.64 0 0.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2370 Cds-CdH_Cds-CdCt HJ 300-1500 1.06E+08 1.64 0 0.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2371 Cds-CdH_Cds-CtCt HJ 300-1500 3.14E+08 1.64 0 0.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2372 Cds-CdH_Cds-CbH HJ 300-1500 8.38E+07 1.64 0 2.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2373 Cds-CdH_Cds-CbCs HJ 300-1500 2.47E+08 1.64 0 2.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2374 Cds-CdH_Ca HJ 300-1500 2.92E+08 1.64 0 2.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2375 Cds-CdCs_Cds-HH HJ 300-1500 2.06E+08 1.64 0 3.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2376 Cds-CdCs_Cds-CsH HJ 300-1500 2.21E+08 1.64 0 2.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2377 Cds-CdCs_Cds-CsCs HJ 300-1500 2.57E+08 1.64 0 2.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2378 Cds-CdCs_Cds-CdH HJ 300-1500 2.06E+08 1.64 0 1.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2379 Cds-CdCs_Cds-CdCs HJ 300-1500 2.30E+08 1.64 0 1.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2380 Cds-CdCs_Cds-CdCd HJ 300-1500 1.11E+08 1.64 0 0.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2381 Cds-CdCs_Cds-CtH HJ 300-1500 1.99E+08 1.64 0 1.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2382 Cds-CdCs_Cds-CtCs HJ 300-1500 2.28E+08 1.64 0 1.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2383 Cds-CdCs_Cds-CdCt HJ 300-1500 6.75E+07 1.64 0 0.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2384 Cds-CdCs_Cds-CtCt HJ 300-1500 2.00E+08 1.64 0 1.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2385 Cds-CdCs_Cds-CbH HJ 300-1500 5.35E+07 1.64 0 3.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2386 Cds-CdCs_Cds-CbCs HJ 300-1500 1.58E+08 1.64 0 3.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2387 Cds-CdCs_Ca HJ 300-1500 1.87E+08 1.64 0 3.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2388 Cds-CdCd_Cds-HH HJ 300-1500 1.34E+08 1.64 0 3.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2389 Cds-CdCd_Cds-CsH HJ 300-1500 1.44E+08 1.64 0 3.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2390 Cds-CdCd_Cds-CsCs HJ 300-1500 1.67E+08 1.64 0 2.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2391 Cds-CdCd_Cds-CdH HJ 300-1500 1.34E+08 1.64 0 2.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2392 Cds-CdCd_Cds-CdCs HJ 300-1500 1.50E+08 1.64 0 2.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2393 Cds-CdCd_Cds-CdCd HJ 300-1500 7.19E+07 1.64 0 1.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2394 Cds-CdCd_Cds-CtH HJ 300-1500 1.29E+08 1.64 0 2.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2395 Cds-CdCd_Cds-CtCs HJ 300-1500 1.49E+08 1.64 0 2.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2396 Cds-CdCd_Cds-CdCt HJ 300-1500 4.39E+07 1.64 0 1.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2397 Cds-CdCd_Cds-CtCt HJ 300-1500 1.30E+08 1.64 0 2.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2398 Cds-CdCd_Cds-CbH HJ 300-1500 3.48E+07 1.64 0 4.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2399 Cds-CdCd_Cds-CbCs HJ 300-1500 1.03E+08 1.64 0 3.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2400 Cds-CdCd_Ca HJ 300-1500 1.22E+08 1.64 0 3.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2401 Cds-CtH_Cds-HH HJ 300-1500 2.97E+08 1.64 0 2.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2402 Cds-CtH_Cds-CsH HJ 300-1500 3.18E+08 1.64 0 2.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2403 Cds-CtH_Cds-CsCs HJ 300-1500 3.69E+08 1.64 0 1.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2404 Cds-CtH_Cds-CdH HJ 300-1500 2.95E+08 1.64 0 1.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2405 Cds-CtH_Cds-CdCs HJ 300-1500 3.31E+08 1.64 0 0.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2406 Cds-CtH_Cds-CdCd HJ 300-1500 1.59E+08 1.64 0 0.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2407 Cds-CtH_Cds-CtH HJ 300-1500 2.85E+08 1.64 0 1.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2408 Cds-CtH_Cds-CtCs HJ 300-1500 3.28E+08 1.64 0 1.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2409 Cds-CtH_Cds-CdCt HJ 300-1500 9.70E+07 1.64 0 0.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2410 Cds-CtH_Cds-CtCt HJ 300-1500 2.88E+08 1.64 0 0.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2411 Cds-CtH_Cds-CbH HJ 300-1500 7.69E+07 1.64 0 3.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2412 Cds-CtH_Cds-CbCs HJ 300-1500 2.27E+08 1.64 0 2.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2413 Cds-CtH_Ca HJ 300-1500 2.68E+08 1.64 0 2.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2414 Cds-CtCs_Cds-HH HJ 300-1500 1.83E+08 1.64 0 3.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2415 Cds-CtCs_Cds-CsH HJ 300-1500 1.96E+08 1.64 0 3.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2416 Cds-CtCs_Cds-CsCs HJ 300-1500 2.27E+08 1.64 0 2.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2417 Cds-CtCs_Cds-CdH HJ 300-1500 1.82E+08 1.64 0 2.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2418 Cds-CtCs_Cds-CdCs HJ 300-1500 2.04E+08 1.64 0 2.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2419 Cds-CtCs_Cds-CdCd HJ 300-1500 9.78E+07 1.64 0 1.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2420 Cds-CtCs_Cds-CtH HJ 300-1500 1.76E+08 1.64 0 2.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2421 Cds-CtCs_Cds-CtCs HJ 300-1500 2.02E+08 1.64 0 2.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2422 Cds-CtCs_Cds-CdCt HJ 300-1500 5.98E+07 1.64 0 1.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2423 Cds-CtCs_Cds-CtCt HJ 300-1500 1.77E+08 1.64 0 2.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2424 Cds-CtCs_Cds-CbH HJ 300-1500 4.74E+07 1.64 0 4.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2425 Cds-CtCs_Cds-CbCs HJ 300-1500 1.40E+08 1.64 0 3.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2426 Cds-CtCs_Ca HJ 300-1500 1.65E+08 1.64 0 3.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2427 Cds-CdCt_Cds-HH HJ 300-1500 2.70E+08 1.64 0 4.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2428 Cds-CdCt_Cds-CsH HJ 300-1500 2.90E+08 1.64 0 3.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2429 Cds-CdCt_Cds-CsCs HJ 300-1500 3.36E+08 1.64 0 3.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2430 Cds-CdCt_Cds-CdH HJ 300-1500 2.69E+08 1.64 0 2.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2431 Cds-CdCt_Cds-CdCs HJ 300-1500 3.01E+08 1.64 0 2.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2432 Cds-CdCt_Cds-CdCd HJ 300-1500 1.45E+08 1.64 0 1.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2433 Cds-CdCt_Cds-CtH HJ 300-1500 2.60E+08 1.64 0 3.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2434 Cds-CdCt_Cds-CtCs HJ 300-1500 2.99E+08 1.64 0 2.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2435 Cds-CdCt_Cds-CdCt HJ 300-1500 8.83E+07 1.64 0 2.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2436 Cds-CdCt_Cds-CtCt HJ 300-1500 2.62E+08 1.64 0 2.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2437 Cds-CdCt_Cds-CbH HJ 300-1500 7.00E+07 1.64 0 4.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2438 Cds-CdCt_Cds-CbCs HJ 300-1500 2.06E+08 1.64 0 4.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2439 Cds-CdCt_Ca HJ 300-1500 2.44E+08 1.64 0 4.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2440 Cds-CtCt_Cds-HH HJ 300-1500 2.52E+08 1.64 0 4.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2441 Cds-CtCt_Cds-CsH HJ 300-1500 2.71E+08 1.64 0 4.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2442 Cds-CtCt_Cds-CsCs HJ 300-1500 3.14E+08 1.64 0 3.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2443 Cds-CtCt_Cds-CdH HJ 300-1500 2.51E+08 1.64 0 3.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2444 Cds-CtCt_Cds-CdCs HJ 300-1500 2.82E+08 1.64 0 3.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2445 Cds-CtCt_Cds-CdCd HJ 300-1500 1.35E+08 1.64 0 2.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2446 Cds-CtCt_Cds-CtH HJ 300-1500 2.43E+08 1.64 0 3.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2447 Cds-CtCt_Cds-CtCs HJ 300-1500 2.79E+08 1.64 0 3.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2448 Cds-CtCt_Cds-CdCt HJ 300-1500 8.26E+07 1.64 0 2.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2449 Cds-CtCt_Cds-CtCt HJ 300-1500 2.45E+08 1.64 0 3.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2450 Cds-CtCt_Cds-CbH HJ 300-1500 6.54E+07 1.64 0 5.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2451 Cds-CtCt_Cds-CbCs HJ 300-1500 1.93E+08 1.64 0 4.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2452 Cds-CtCt_Ca HJ 300-1500 2.28E+08 1.64 0 5.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2453 Cds-CbH_Cds-HH HJ 300-1500 9.36E+07 1.64 0 4.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2454 Cds-CbH_Cds-CsH HJ 300-1500 1.00E+08 1.64 0 4.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2455 Cds-CbH_Cds-CsCs HJ 300-1500 1.16E+08 1.64 0 3.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2456 Cds-CbH_Cds-CdH HJ 300-1500 9.32E+07 1.64 0 3.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2457 Cds-CbH_Cds-CdCs HJ 300-1500 1.04E+08 1.64 0 2.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2458 Cds-CbH_Cds-CdCd HJ 300-1500 5.01E+07 1.64 0 2.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2459 Cds-CbH_Cds-CtH HJ 300-1500 9.00E+07 1.64 0 3.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2460 Cds-CbH_Cds-CtCs HJ 300-1500 1.03E+08 1.64 0 3.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2461 Cds-CbH_Cds-CdCt HJ 300-1500 3.06E+07 1.64 0 2.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2462 Cds-CbH_Cds-CtCt HJ 300-1500 9.08E+07 1.64 0 2.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2463 Cds-CbH_Cds-CbH HJ 300-1500 2.43E+07 1.64 0 5.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2464 Cds-CbH_Cds-CbCs HJ 300-1500 7.15E+07 1.64 0 4.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2465 Cds-CbH_Ca HJ 300-1500 8.47E+07 1.64 0 4.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2466 Cds-CbCs_Cds-HH HJ 300-1500 1.34E+08 1.64 0 4.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2467 Cds-CbCs_Cds-CsH HJ 300-1500 1.44E+08 1.64 0 3.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2468 Cds-CbCs_Cds-CsCs HJ 300-1500 1.67E+08 1.64 0 3.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2469 Cds-CbCs_Cds-CdH HJ 300-1500 1.34E+08 1.64 0 3.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2470 Cds-CbCs_Cds-CdCs HJ 300-1500 1.50E+08 1.64 0 2.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2471 Cds-CbCs_Cds-CdCd HJ 300-1500 7.18E+07 1.64 0 2.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2472 Cds-CbCs_Cds-CtH HJ 300-1500 1.29E+08 1.64 0 3.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2473 Cds-CbCs_Cds-CtCs HJ 300-1500 1.48E+08 1.64 0 3.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2474 Cds-CbCs_Cds-CdCt HJ 300-1500 4.38E+07 1.64 0 2.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2475 Cds-CbCs_Cds-CtCt HJ 300-1500 1.30E+08 1.64 0 2.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2476 Cds-CbCs_Cds-CbH HJ 300-1500 3.48E+07 1.64 0 5.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2477 Cds-CbCs_Cds-CbCs HJ 300-1500 1.02E+08 1.64 0 4.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2478 Cds-CbCs_Ca HJ 300-1500 1.21E+08 1.64 0 4.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -2479 Ct-H_Ct-H HJ 300-1500 5.13E+08 1.64 0 2.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2480 Ct-H_Ct-Cs HJ 300-1500 1.49E+09 1.64 0 3.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2481 Ct-H_Ct-Cd HJ 300-1500 5.67E+08 1.64 0 1.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2482 Ct-H_Ct-Ct HJ 300-1500 1.06E+09 1.64 0 1.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2483 Ct-Cs_Ct-H HJ 300-1500 6.89E+08 1.64 0 3.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2484 Ct-Cs_Ct-Cs HJ 300-1500 2.01E+09 1.64 0 4.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2485 Ct-Cs_Ct-Cd HJ 300-1500 7.62E+08 1.64 0 2.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2486 Ct-Cs_Ct-Ct HJ 300-1500 1.42E+09 1.64 0 2.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2487 Ct-Cd_Ct-H HJ 300-1500 5.22E+08 1.64 0 3.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2488 Ct-Cd_Ct-Cs HJ 300-1500 1.52E+09 1.64 0 4.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2489 Ct-Cd_Ct-Cd HJ 300-1500 5.78E+08 1.64 0 3.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2490 Ct-Cd_Ct-Ct HJ 300-1500 1.08E+09 1.64 0 2.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2491 Ct-Ct_Ct-H HJ 300-1500 8.34E+08 1.64 0 4.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2492 Ct-Ct_Ct-Cs HJ 300-1500 2.43E+09 1.64 0 5.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2493 Ct-Ct_Ct-Cd HJ 300-1500 9.22E+08 1.64 0 3.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2494 Ct-Ct_Ct-Ct HJ 300-1500 1.72E+09 1.64 0 3.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -2495 Ca_Cds-HH HJ 300-1500 8.80E+08 1.64 0 2.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2496 Ca_Cds-CsH HJ 300-1500 1.09E+09 1.64 0 3.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2497 Ca_Cds-CsCs HJ 300-1500 6.10E+08 1.64 0 2.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -// Addition reactions involving S atoms - -2498 Cds-HH_Sd HJ 300-1500 4.62E+08 1.7 0 0.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2499 Cds-HH_Sd CsJ-HHH 300-1500 1.95E+03 2.8 0 2.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -//2499 Cds-HH_Sd CsJ-HHH 300-1500 1.95E+06 2.8 0 2.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2500 Cds-HH_Sd CsJ-CsHH 300-1500 9.43E+01 2.8 0 0.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2501 Cds-HH_Sd CsJ-CsCsH 300-1500 3.02E+01 2.9 0 -1.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2502 Cds-HH_Sd CsJ-CsCsCs 300-1500 2.04E+01 2.9 0 -2.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2511 Cds-HH_Sd SsJ-H 300-1500 2.92E+04 2.5 0 -1.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2512 Cds-HH_Sd SsJ-Cs 300-1500 8.58E+02 2.9 0 -0.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2516 Cds-HH_Sd SsJ-Ss 300-1500 3.19E+01 3.0 0 3.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2517 Cds-CsH_Sd CsJ-HHH 300-1500 8.71E+02 2.7 0 4.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2518 Cds-CsCs_Sd CsJ-HHH 300-1500 1.95E+02 2.6 0 5.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2521 Sd_Cds-HH HJ 300-1500 9.50E+08 1.7 0 -0.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2522 Sd_Cds-HH CsJ-HHH 300-1500 3.76E+03 2.9 0 1.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2523 Sd_Cds-HH CsJ-CsHH 300-1500 1.69E+02 3.0 0 -1.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2524 Sd_Cds-HH CsJ-CsCsH 300-1500 6.44E+01 3.0 0 -2.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2525 Sd_Cds-HH CsJ-CsCsCs 300-1500 3.62E+01 3.1 0 -3.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2534 Sd_Cds-HH SsJ-H 300-1500 1.44E+04 2.6 0 -6.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2535 Sd_Cds-HH SsJ-Cs 300-1500 3.82E+02 3.0 0 -3.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2539 Sd_Cds-HH SsJ-Ss 300-1500 1.34E+01 3.3 0 1.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2540 Sd_Cds-CsH CsJ-HHH 300-1500 5.36E+03 2.8 0 1.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2541 Sd_Cds-CsCs CsJ-HHH 300-1500 5.29E+03 2.7 0 2.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2542 Sd_Cds-CdH CsJ-HHH 300-1500 1.65E+03 3.2 0 1.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2543 Sd_Cds-CdCs CsJ-HHH 300-1500 1.68E+03 3.1 0 1.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2544 Cds-HH_Cds-HH SsJ-H 300-1500 4.98E+03 2.7 0 -0.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2545 Cds-HH_Cds-HH SsJ-Cs 300-1500 7.39E+01 3.1 0 1.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2549 Cds-HH_Cds-HH SsJ-Ss 300-1500 4.21E+00 3.3 0 7.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/comments.txt b/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/comments.txt deleted file mode 100644 index e69de29bb2..0000000000 diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/dictionary.txt deleted file mode 100644 index 75501b39a6..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/dictionary.txt +++ /dev/null @@ -1,8124 +0,0 @@ -//dictionary: f02 radical addition to multiple bond except benzene bond -//SR, Jan. 30, 2003 -// CDW : since having both Cd/H/H and Cd/H2, Cd/Nd/Nd and Cd/Nd2, Cd/De/De and Cd/De2 at the same time -// are confusing, made them uniform as Cd/H2, Cd/Nd2, and Cd/De2. 03/25/03 -//Sandeep included Y_birad in Y_rad. This enables Oa to react with multiple bond - -R_R -Union {Cd_R,Ct_R,O2d,OCO,OCddO,Sd_R} - -Cd_R -1 *1 C 0 {2,D} -2 *2 R 0 {1,D} - -Cds_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 R 0 {1,S} -4 R 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-HH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-HH_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-HH_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-HH_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-HH_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-HH_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-HH_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-HH_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-HH_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-HH_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-HH_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-HH_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-HH_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-HH_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-HH_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-HH_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-HH_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-HH_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-HH_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-HH_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-HH_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-HH_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-HH_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-HH_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-HH_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-HH_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-HH_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-HH_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-HH_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-HH_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-HH_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-HH_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-HH_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-HH_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-HH_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-HH_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-HH_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-HH_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-HH_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-HH_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-CsH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CsH_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-CsH_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CsH_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CsH_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CsH_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CsH_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CsH_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CsH_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CsH_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CsH_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CsH_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsH_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsH_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsH_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsH_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsH_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsH_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsH_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsH_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsH_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsH_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsH_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsH_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsH_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsH_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsH_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsH_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsH_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsH_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CsH_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CsH_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CsH_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CsH_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CsH_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsH_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsH_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsH_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CsH_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsH_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-CsCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CsCs_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-CsCs_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CsCs_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CsCs_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CsCs_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CsCs_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CsCs_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CsCs_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CsCs_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CsCs_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CsCs_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsCs_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsCs_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsCs_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsCs_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsCs_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsCs_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsCs_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsCs_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsCs_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsCs_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsCs_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsCs_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsCs_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsCs_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CsCs_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsCs_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsCs_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CsCs_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CsCs_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CsCs_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CsCs_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CsCs_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CsCs_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CsCs_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsCs_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CsCs_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CsCs_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CsCs_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-SsH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ss 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-SsCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-SsSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-OsH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Os 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-OsCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-OsOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Os 0 {1,S} -4 Os 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-OsSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Os 0 {1,S} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-OneDe_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 R 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-OneDeH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CdH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdH_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdH_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdH_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdH_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {5,D} -9 C 0 {6,D} - -Cds-CdH_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdH_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdH_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdH_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 Cd 0 {2,S} {9,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {5,D} - -Cds-CdH_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 H 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdH_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 H 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdH_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {9,D} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} -9 C 0 {3,D} - -Cds-CtH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CtH_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-CtH_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CtH_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtH_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CtH_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtH_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CtH_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CtH_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtH_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CtH_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CtH_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtH_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtH_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtH_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtH_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtH_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtH_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtH_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtH_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtH_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtH_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtH_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtH_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtH_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtH_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtH_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtH_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtH_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtH_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CtH_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CtH_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CtH_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CtH_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CtH_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtH_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtH_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtH_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CtH_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtH_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-CbH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CbH_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-CbH_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CbH_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CbH_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CbH_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CbH_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CbH_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CbH_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CbH_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CbH_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CbH_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbH_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbH_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbH_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbH_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbH_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbH_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbH_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbH_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbH_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbH_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbH_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbH_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbH_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbH_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbH_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbH_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbH_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbH_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CbH_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CbH_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CbH_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CbH_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CbH_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbH_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbH_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbH_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CbH_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbH_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-COH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 CO 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-C=SH_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Cd 0 {1,S} {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-OneDeCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CdCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCs_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCs_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCs_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCs_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {5,D} -9 C 0 {6,D} - -Cds-CdCs_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdCs_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdCs_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdCs_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {9,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {5,D} - -Cds-CdCs_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCs_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCs_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {9,D} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} -9 C 0 {3,D} - -Cds-CtCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CtCs_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-CtCs_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CtCs_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtCs_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CtCs_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtCs_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CtCs_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CtCs_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtCs_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CtCs_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CtCs_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCs_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCs_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCs_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCs_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCs_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCs_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCs_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCs_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCs_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCs_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCs_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCs_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCs_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCs_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCs_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCs_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCs_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCs_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CtCs_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CtCs_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CtCs_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CtCs_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CtCs_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCs_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCs_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCs_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCs_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCs_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-CbCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CbCs_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-CbCs_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CbCs_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CbCs_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CbCs_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CbCs_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CbCs_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CbCs_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CbCs_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CbCs_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CbCs_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbCs_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbCs_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbCs_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbCs_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbCs_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbCs_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbCs_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbCs_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbCs_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbCs_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbCs_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbCs_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbCs_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbCs_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CbCs_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbCs_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbCs_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CbCs_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CbCs_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CbCs_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CbCs_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CbCs_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CbCs_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CbCs_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbCs_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CbCs_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CbCs_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CbCs_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-COCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-C=SCs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Cd 0 {1,S} {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-OneDeSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CdSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CtSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CbSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-COSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 CO 0 {1,S} -4 Ss 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-C=SSs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Cd 0 {1,S} {5,D} -4 Ss 0 {1,S} -5 Sd 0 {3,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-OneDeOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Os 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CdOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Os 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CtOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Os 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CbOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Os 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-COOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 CO 0 {1,S} -4 Os 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-C=SOs_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Cd 0 {1,S} {5,D} -4 Os 0 {1,S} -5 Sd 0 {3,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-TwoDe_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CdCd_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 H 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 Ss 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 H 0 {2,S} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {6,D} - -Cds-CdCd_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 H 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 H 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 H 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {6,D} - -Cds-CdCd_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cs 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {6,D} - -Cds-CdCd_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Os 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {6,D} - -Cds-CdCd_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ss 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cd 0 {2,S} {9,D} -6 Cd 0 {2,S} {10,D} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {5,D} -10 C 0 {6,D} - -Cds-CdCd_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cd 0 {2,S} {9,D} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {5,D} - -Cds-CdCd_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cd 0 {2,S} {9,D} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {5,D} - -Cds-CdCd_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cd 0 {2,S} {9,D} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} -9 C 0 {5,D} - -Cds-CdCd_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 Cd 0 {2,S} {10,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} -10 C 0 {5,D} - -Cds-CdCd_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ct 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ct 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Ct 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cb 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 Cb 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {8,D} -5 CO 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {4,D} - -Cds-CdCd_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {9,D} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {4,D} - -Cds-CdCd_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {9,D} -4 Cd 0 {1,S} {10,D} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} -9 C 0 {3,D} -10 C 0 {4,D} - -Cds-CdCt_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCt_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCt_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCt_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {8,D} -7 C 0 {3,D} -8 C 0 {6,D} - -Cds-CdCt_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {9,D} -7 C 0 {3,D} -8 C 0 {5,D} -9 C 0 {6,D} - -Cds-CdCt_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Ct 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdCt_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cb 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdCt_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 CO 0 {2,S} -7 C 0 {3,D} -8 C 0 {5,D} - -Cds-CdCt_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {9,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} -9 C 0 {5,D} - -Cds-CdCt_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Ct 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} -7 C 0 {3,D} - -Cds-CdCt_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {8,D} -4 Ct 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {3,D} - -Cds-CdCt_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {9,D} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} -9 C 0 {3,D} - -Cds-CdCb_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 Cb 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CdCO_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cd 0 {1,S} {7,D} -4 CO 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 C 0 {3,D} - -Cds-CdC=S_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Cd 0 {1,S} {8,D} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} -6 R 0 {2,S} -7 R 0 {2,S} -8 C 0 {3,D} - -Cds-CtCt_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CtCt_Cds-HH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} - -Cds-CtCt_Cds-CsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -Cds-CtCt_Cds-CsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtCt_Cds-OsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 H 0 {2,S} - -Cds-CtCt_Cds-OsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtCt_Cds-OsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Os 0 {2,S} - -Cds-CtCt_Cds-SsH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 H 0 {2,S} - -Cds-CtCt_Cds-SsCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cs 0 {2,S} - -Cds-CtCt_Cds-SsOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Os 0 {2,S} - -Cds-CtCt_Cds-SsSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Ss 0 {2,S} - -Cds-CtCt_Cds-OneDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 R 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCt_Cds-OneDeH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCt_Cds-CdH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCt_Cds-CtH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCt_Cds-CbH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCt_Cds-COH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-C=SH -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 H 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-OneDeCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCt_Cds-CdCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCt_Cds-CtCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCt_Cds-CbCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCt_Cds-COCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-C=SCs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cs 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-OneDeOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCt_Cds-CdOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCt_Cds-CtOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCt_Cds-CbOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCt_Cds-COOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-C=SOs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Os 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-OneDeSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCt_Cds-CdSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 C 0 {6,D} - -Cds-CtCt_Cds-CtSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCt_Cds-CbSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCt_Cds-COSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-C=SSs -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ss 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-TwoDe -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -Cds-CtCt_Cds-CdCd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 C 0 {5,D} -8 C 0 {6,D} - -Cds-CtCt_Cds-CdCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Ct 0 {2,S} -7 C 0 {5,D} - -Cds-CtCt_Cds-CdCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cb 0 {2,S} -7 C 0 {5,D} - -Cds-CtCt_Cds-CdCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 CO 0 {2,S} -7 C 0 {5,D} - -Cds-CtCt_Cds-CdC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {8,D} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} -8 C 0 {5,D} - -Cds-CtCt_Cds-CtCt -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 Ct 0 {2,S} - -Cds-CtCt_Cds-CtCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCt_Cds-CtCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-CtC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Ct 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-CbCb -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cb 0 {2,S} -6 Cb 0 {2,S} - -Cds-CtCt_Cds-CbCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cb 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-CbC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cb 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-COCO -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 CO 0 {2,S} -6 CO 0 {2,S} - -Cds-CtCt_Cds-COC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 CO 0 {2,S} -6 Cd 0 {2,S} {7,D} -7 Sd 0 {6,D} - -Cds-CtCt_Cds-C=SC=S -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 Cd 0 {2,S} {7,D} -6 Cd 0 {2,S} {8,D} -7 Sd 0 {5,D} -8 Sd 0 {6,D} - -Cds-CtCb_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 Cb 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CtCO_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Ct 0 {1,S} -4 CO 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CtC=S_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Ct 0 {1,S} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-CbCb_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 Cb 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CbCO_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 Cb 0 {1,S} -4 CO 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-CbC=S_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 Cb 0 {1,S} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-COCO_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {5,S} {6,S} -3 CO 0 {1,S} -4 CO 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} - -Cds-COC=S_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {6,S} {7,S} -3 CO 0 {1,S} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} -6 R 0 {2,S} -7 R 0 {2,S} - -Cds-C=SC=S_Cds -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cd 0 {1,D} {7,S} {8,S} -3 Cd 0 {1,S} {5,D} -4 Cd 0 {1,S} {6,D} -5 Sd 0 {3,D} -6 Sd 0 {4,D} -7 R 0 {2,S} -8 R 0 {2,S} - -Cds_Cdd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D} -3 R 0 {1,S} -4 R 0 {1,S} - -Cds_Ca -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 R 0 {1,S} -4 R 0 {1,S} -5 C 0 {2,D} - -Cds-HH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -Cds-CsH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -Cds-CsCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -Cds-OneDeH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 C 0 {2,D} - -Cds-CdH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 C 0 {4,D} - -Cds-CtH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 Ct 0 {1,S} -5 C 0 {2,D} - -Cds-CbH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 Cb 0 {1,S} -5 C 0 {2,D} - -Cds-COH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 CO 0 {1,S} -5 C 0 {2,D} - -Cds-C=SH_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 Sd 0 {4,D} - -Cds-OneDeCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 C 0 {2,D} - -Cds-CdCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 C 0 {4,D} - -Cds-CtCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 Ct 0 {1,S} -5 C 0 {2,D} - -Cds-CbCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 Cb 0 {1,S} -5 C 0 {2,D} - -Cds-COCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 CO 0 {1,S} -5 C 0 {2,D} - -Cds-C=SCs_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 Sd 0 {4,D} - -Cds-TwoDe_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 C 0 {2,D} - -Cds-CdCd_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cd 0 {1,S} {6,D} -4 Cd 0 {1,S} {7,D} -5 C 0 {2,D} -6 C 0 {3,D} -7 C 0 {4,D} - -Cds-CdCt_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cd 0 {1,S} {6,D} -4 Ct 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -Cds-CdCb_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cd 0 {1,S} {6,D} -4 Cb 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -Cds-CdCO_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cd 0 {1,S} {6,D} -4 CO 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -Cds-CdC=S_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cd 0 {1,S} {7,D} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 Sd 0 {4,D} -7 C 0 {3,D} - -Cds-CtCt_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Ct 0 {1,S} -4 Ct 0 {1,S} -5 C 0 {2,D} - -Cds-CtCb_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Ct 0 {1,S} -4 Cb 0 {1,S} -5 C 0 {2,D} - -Cds-CtCO_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Ct 0 {1,S} -4 CO 0 {1,S} -5 C 0 {2,D} - -Cds-CtC=S_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Ct 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 Sd 0 {4,D} - -Cds-CbCb_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cb 0 {1,S} -4 Cb 0 {1,S} -5 C 0 {2,D} - -Cds-CbCO_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cb 0 {1,S} -4 CO 0 {1,S} -5 C 0 {2,D} - -Cds-CbC=S_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cb 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 Sd 0 {4,D} - -Cds-COCO_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 CO 0 {1,S} -4 CO 0 {1,S} -5 C 0 {2,D} - -Cds-COC=S_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 CO 0 {1,S} -4 Cd 0 {1,S} {6,D} -5 C 0 {2,D} -6 Sd 0 {4,D} - -Cds-C=SC=S_Ca -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cd 0 {1,S} {6,D} -4 Cd 0 {1,S} {7,D} -5 C 0 {2,D} -6 Sd 0 {3,D} -7 Sd 0 {4,D} - -Cds_Ck -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 R 0 {1,S} -4 R 0 {1,S} -5 Od 0 {2,D} - -Cds-HH_Ck -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 Od 0 {2,D} - -Cds-CsH_Ck -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 Cs 0 {1,S} -5 Od 0 {2,D} - -Cds-OneDeH_Ck -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -Cds-CsCs_Ck -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Od 0 {2,D} - -Cds-OneDeCs_Ck -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 Cs 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -Cds-TwoDe_Ck -1 *1 Cd 0 {2,D}, {3,S}, {4,S} -2 *2 Cdd 0 {1,D}, {5,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} -5 Od 0 {2,D} - -Cdd_Cds -1 *1 Cdd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 R 0 {2,S} -4 R 0 {2,S} - -Ca_Cds -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 R 0 {2,S} -5 R 0 {2,S} - -Ca_Cds-HH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 H 0 {2,S} -5 H 0 {2,S} - -Ca_Cds-CsH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cs 0 {2,S} -5 H 0 {2,S} - -Ca_Cds-CsCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cs 0 {2,S} -5 Cs 0 {2,S} - -Ca_Cds-OneDeH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 H 0 {2,S} - -Ca_Cds-CdH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 H 0 {2,S} -6 C 0 {4,D} - -Ca_Cds-CtH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Ct 0 {2,S} -5 H 0 {2,S} - -Ca_Cds-CbH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cb 0 {2,S} -5 H 0 {2,S} - -Ca_Cds-COH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 CO 0 {2,S} -5 H 0 {2,S} - -Ca_Cds-C=SH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 H 0 {2,S} -6 Sd 0 {4,D} - -Ca_Cds-OneDeCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Cs 0 {2,S} - -Ca_Cds-CdCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cs 0 {2,S} -6 C 0 {4,D} - -Ca_Cds-CtCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Ct 0 {2,S} -5 Cs 0 {2,S} - -Ca_Cds-CbCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cb 0 {2,S} -5 Cs 0 {2,S} - -Ca_Cds-COCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 CO 0 {2,S} -5 Cs 0 {2,S} - -Ca_Cds-C=SCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cs 0 {2,S} -6 Sd 0 {4,D} - -Ca_Cds-TwoDe -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -Ca_Cds-CdCd -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cd 0 {2,S} {7,D} -6 C 0 {4,D} -7 C 0 {5,D} - -Ca_Cds-CdCt -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Ct 0 {2,S} -6 C 0 {4,D} - -Ca_Cds-CdCb -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cb 0 {2,S} -6 C 0 {4,D} - -Ca_Cds-CdCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 CO 0 {2,S} -6 C 0 {4,D} - -Ca_Cds-CdC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {7,D} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} -7 C 0 {4,D} - -Ca_Cds-CtCt -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Ct 0 {2,S} -5 Ct 0 {2,S} - -Ca_Cds-CtCb -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Ct 0 {2,S} -5 Cb 0 {2,S} - -Ca_Cds-CtCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Ct 0 {2,S} -5 CO 0 {2,S} - -Ca_Cds-CtC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Ct 0 {2,S} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} - -Ca_Cds-CbCb -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cb 0 {2,S} -5 Cb 0 {2,S} - -Ca_Cds-CbCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cb 0 {2,S} -5 CO 0 {2,S} - -Ca_Cds-CbC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cb 0 {2,S} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} - -Ca_Cds-COCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 CO 0 {2,S} -5 CO 0 {2,S} - -Ca_Cds-COC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 CO 0 {2,S} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} - -Ca_Cds-C=SC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 C 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cd 0 {2,S} {7,D} -6 Sd 0 {4,D} -7 Sd 0 {5,D} - -Ck_Cds -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 R 0 {2,S} -5 R 0 {2,S} - -Ck_Cds-HH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 H 0 {2,S} -5 H 0 {2,S} - -Ck_Cds-CsH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cs 0 {2,S} -5 H 0 {2,S} - -Ck_Cds-CsCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cs 0 {2,S} -5 Cs 0 {2,S} - -Ck_Cds-OneDeH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 H 0 {2,S} - -Ck_Cds-CdH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 H 0 {2,S} -6 C 0 {4,D} - -Ck_Cds-CtH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Ct 0 {2,S} -5 H 0 {2,S} - -Ck_Cds-CbH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cb 0 {2,S} -5 H 0 {2,S} - -Ck_Cds-COH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 CO 0 {2,S} -5 H 0 {2,S} - -Ck_Cds-C=SH -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 H 0 {2,S} -6 Sd 0 {4,D} - -Ck_Cds-OneDeCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 Cs 0 {2,S} - -Ck_Cds-CdCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cs 0 {2,S} -6 C 0 {4,D} - -Ck_Cds-CtCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Ct 0 {2,S} -5 Cs 0 {2,S} - -Ck_Cds-CbCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cb 0 {2,S} -5 Cs 0 {2,S} - -Ck_Cds-COCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 CO 0 {2,S} -5 Cs 0 {2,S} - -Ck_Cds-C=SCs -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cs 0 {2,S} -6 Sd 0 {4,D} - -Ck_Cds-TwoDe -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} - -Ck_Cds-CdCd -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cd 0 {2,S} {7,D} -6 C 0 {4,D} -7 C 0 {5,D} - -Ck_Cds-CdCt -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Ct 0 {2,S} -6 C 0 {4,D} - -Ck_Cds-CdCb -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cb 0 {2,S} -6 C 0 {4,D} - -Ck_Cds-CdCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 CO 0 {2,S} -6 C 0 {4,D} - -Ck_Cds-CdC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {7,D} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} -7 C 0 {4,D} - -Ck_Cds-CtCt -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Ct 0 {2,S} -5 Ct 0 {2,S} - -Ck_Cds-CtCb -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Ct 0 {2,S} -5 Cb 0 {2,S} - -Ck_Cds-CtCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Ct 0 {2,S} -5 CO 0 {2,S} - -Ck_Cds-CtC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Ct 0 {2,S} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} - -Ck_Cds-CbCb -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cb 0 {2,S} -5 Cb 0 {2,S} - -Ck_Cds-CbCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cb 0 {2,S} -5 CO 0 {2,S} - -Ck_Cds-CbC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cb 0 {2,S} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} - -Ck_Cds-COCO -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 CO 0 {2,S} -5 CO 0 {2,S} - -Ck_Cds-COC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 CO 0 {2,S} -5 Cd 0 {2,S} {6,D} -6 Sd 0 {5,D} - -Ck_Cds-C=SC=S -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cd 0 {1,D} {4,S} {5,S} -3 Od 0 {1,D} -4 Cd 0 {2,S} {6,D} -5 Cd 0 {2,S} {7,D} -6 Sd 0 {4,D} -7 Sd 0 {5,D} - -Cdd_Cdd -1 *1 Cdd 0 {2,D} {3,D} -2 *2 Cdd 0 {1,D} {4,D} -3 R 0 {1,D} -4 R 0 {2,D} - -Ca_Ca -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cdd 0 {1,D}, {4,D} -3 C 0 {1,D} -4 C 0 {2,D} - -Ck_Ck -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cdd 0 {1,D}, {4,D} -3 Od 0 {1,D} -4 Od 0 {2,D} - -Ca_Ck -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cdd 0 {1,D}, {4,D} -3 C 0 {1,D} -4 Od 0 {2,D} - -Ck_Ca -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Cdd 0 {1,D}, {4,D} -3 Od 0 {1,D} -4 C 0 {2,D} - -CO_O -1 *1 CO 0 {2,D} -2 *2 Od 0 {1,D} - -CO/H2_O -1 *1 CO 0 {2,D}, {3,S}, {4,S} -2 *2 Od 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - -CO/H/Nd_O -1 *1 CO 0 {2,D}, {3,S}, {4,S} -2 *2 Od 0 {1,D} -3 H 0 {1,S} -4 {Cs,O} 0 {1,S} - -CO/H/De_O -1 *1 CO 0 {2,D}, {3,S}, {4,S} -2 *2 Od 0 {1,D} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CO/Nd2_O -1 *1 CO 0 {2,D}, {3,S}, {4,S} -2 *2 Od 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -CO/Nd/De_O -1 *1 CO 0 {2,D}, {3,S}, {4,S} -2 *2 Od 0 {1,D} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CO/De2_O -1 *1 CO 0 {2,D}, {3,S}, {4,S} -2 *2 Od 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cds_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 R 0 {1,S} -4 R 0 {1,S} - -Cds-HH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - -Cds-CsH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cds-CsCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cds-OneDeH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -Cds-CdH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 H 0 {1,S} -5 C 0 {3,D} - -Cds-CtH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Ct 0 {1,S} -4 H 0 {1,S} - -Cds-CbH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cb 0 {1,S} -4 H 0 {1,S} - -Cds-COH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 CO 0 {1,S} -4 H 0 {1,S} - -Cds-C=SH_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -Cds-OneDeCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -Cds-CdCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 Cs 0 {1,S} -5 C 0 {3,D} - -Cds-CtCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Ct 0 {1,S} -4 Cs 0 {1,S} - -Cds-CbCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -Cds-COCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -Cds-C=SCs_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -Cds-TwoDe_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cds-CdCd_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 Cd 0 {1,S} {6,D} -5 C 0 {3,D} -6 C 0 {4,D} - -Cds-CdCt_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 Ct 0 {1,S} -5 C 0 {3,D} - -Cds-CdCb_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 Cb 0 {1,S} -5 C 0 {3,D} - -Cds-CdCO_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 CO 0 {1,S} -5 C 0 {3,D} - -Cds-CdC=S_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {6,D} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} -6 C 0 {3,D} - -Cds-CtCt_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Ct 0 {1,S} -4 Ct 0 {1,S} - -Cds-CtCb_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Ct 0 {1,S} -4 Cb 0 {1,S} - -Cds-CtCO_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Ct 0 {1,S} -4 CO 0 {1,S} - -Cds-CtC=S_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Ct 0 {1,S} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} - -Cds-CbCb_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cb 0 {1,S} -4 Cb 0 {1,S} - -Cds-CbCO_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cb 0 {1,S} -4 CO 0 {1,S} - -Cds-CbC=S_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cb 0 {1,S} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} - -Cds-COCO_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 CO 0 {1,S} -4 CO 0 {1,S} - -Cds-COC=S_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 CO 0 {1,S} -4 Cd 0 {1,S} {5,D} -5 Sd 0 {4,D} - -Cds-C=SC=S_Sd -1 *1 Cd 0 {2,D} {3,S} {4,S} -2 *2 Sd 0 {1,D} -3 Cd 0 {1,S} {5,D} -4 Cd 0 {1,S} {6,D} -5 Sd 0 {3,D} -6 Sd 0 {4,D} - -Cdd_Sd -1 *1 Cdd 0 {2,D} {3,D} -2 *2 Sd 0 {1,D} -3 R 0 {1,D} - -Cdd-Sd_Sd -1 *1 Cdd 0 {2,D} {3,D} -2 *2 Sd 0 {1,D} -3 Sd 0 {1,D} - -Ct_R -1 *1 Ct 0 {2,T} -2 *2 R 0 {1,T} - -Ct_Ct -1 *1 Ct 0 {2,T} -2 *2 Ct 0 {1,T} - -Ct-H_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 H 0 {2,S} - -Ct-H_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 Cs 0 {2,S} - -Ct-Cs_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 H 0 {2,S} - -Ct-Cs_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 Cs 0 {2,S} - -Ct-H_Ct-De -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -Ct-H_Ct-Cd -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 Cd 0 {2,S} {5,D} -5 C 0 {4,D} - -Ct-H_Ct-Ct -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 Ct 0 {2,S} - -Ct-H_Ct-Cb -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 Cb 0 {2,S} - -Ct-H_Ct-CO -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 CO 0 {2,S} - -Ct-H_Ct-C=S -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 H 0 {1,S} -4 Cd 0 {2,S} {5,D} -5 Sd 0 {4,D} - -Ct-Cs_Ct-De -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -Ct-Cs_Ct-Cd -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 Cd 0 {2,S} {5,D} -5 C 0 {4,D} - -Ct-Cs_Ct-Ct -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 Ct 0 {2,S} - -Ct-Cs_Ct-Cb -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 Cb 0 {2,S} - -Ct-Cs_Ct-CO -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 CO 0 {2,S} - -Ct-Cs_Ct-C=S -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cs 0 {1,S} -4 Cd 0 {2,S} {5,D} -5 Sd 0 {4,D} - -Ct-De_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {2,S} - -Ct-Cd_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 H 0 {2,S} -5 C 0 {3,D} - -Ct-Ct_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 H 0 {2,S} -5 C 0 {3,D} - -Ct-Cb_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cb 0 {1,S} -4 H 0 {2,S} - -Ct-CO_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 CO 0 {1,S} -4 H 0 {2,S} - -Ct-C=S_Ct-H -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 H 0 {2,S} -5 Sd 0 {3,D} - -Ct-De_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {2,S} - -Ct-Cd_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 Cs 0 {2,S} -5 C 0 {3,D} - -Ct-Ct_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 Cs 0 {2,S} -5 C 0 {3,D} - -Ct-Cb_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cb 0 {1,S} -4 Cs 0 {2,S} - -Ct-CO_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 CO 0 {1,S} -4 Cs 0 {2,S} - -Ct-C=S_Ct-Cs -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 Cs 0 {2,S} -5 Sd 0 {3,D} - -Ct-De_Ct-De -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -Ct-Cd_Ct-Cd -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 Cd 0 {2,S} {6,D} -5 C 0 {3,D} -6 C 0 {4,D} - -Ct-Cd_Ct-Ct -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Cd 0 {1,S} {5,D} -4 Ct 0 {2,S} -5 C 0 {3,D} - -Ct-Ct_Ct-Cd -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Ct 0 {1,S} -4 Cd 0 {2,S} {5,D} -5 C 0 {4,D} - -Ct-Ct_Ct-Ct -1 *1 Ct 0 {2,T}, {3,S} -2 *2 Ct 0 {1,T}, {4,S} -3 Ct 0 {1,S} -4 Ct 0 {2,S} - -Cdd_Od -1 *1 Cdd 0 {2,D} -2 *2 Od 0 {1,D} - -CO2 -1 *1 Cdd 0 {2,D}, {3,D} -2 *2 Od 0 {1,D} -3 Od 0 {1,D} - -Ck_O -1 *1 Cdd 0 {2,D} {3,D} -2 *2 Od 0 {1,D} -3 C 0 {1,D} - -O2d -1 *1 Od 0 {2,D} -2 *2 Od 0 {1,D} - -OCddO -1 *1 Od 0 {2,D} -2 *2 Cdd 0 {1,D} {3,D} -3 Od 0 {2,D} - -OCO -1 *1 Od 0 {2,D} -2 *2 CO 0 {1,D} - -Sd_R -1 *1 Sd 0 {2,D} -2 *2 R 0 {1,D} - -Sd_Cd -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 R 0 {2,S} -4 R 0 {2,S} - -Sd_Cds-HH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 H 0 {2,S} -4 H 0 {2,S} - -Sd_Cds-CsH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cs 0 {2,S} -4 H 0 {2,S} - -Sd_Cds-CsCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cs 0 {2,S} -4 Cs 0 {2,S} - -Sd_Cds-OneDeH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 H 0 {2,S} - -Sd_Cds-CdH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 H 0 {2,S} -5 C 0 {3,D} - -Sd_Cds-CtH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Ct 0 {2,S} -4 H 0 {2,S} - -Sd_Cds-CbH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cb 0 {2,S} -4 H 0 {2,S} - -Sd_Cds-COH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 CO 0 {2,S} -4 H 0 {2,S} - -Sd_Cds-C=SH -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 H 0 {2,S} -5 Sd 0 {3,D} - -Sd_Cds-OneDeCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 Cs 0 {2,S} - -Sd_Cds-CdCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 Cs 0 {2,S} -5 C 0 {3,D} - -Sd_Cds-CtCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Ct 0 {2,S} -4 Cs 0 {2,S} - -Sd_Cds-CbCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cb 0 {2,S} -4 Cs 0 {2,S} - -Sd_Cds-COCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 CO 0 {2,S} -4 Cs 0 {2,S} - -Sd_Cds-C=SCs -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 Cs 0 {2,S} -5 Sd 0 {3,D} - -Sd_Cds-TwoDe -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 {Cd,Ct,Cb,CO} 0 {2,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} - -Sd_Cds-CdCd -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 Cd 0 {2,S} {6,D} -5 C 0 {3,D} -6 C 0 {4,D} - -Sd_Cds-CdCt -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 Ct 0 {2,S} -5 C 0 {3,D} - -Sd_Cds-CdCb -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 Cb 0 {2,S} -5 C 0 {3,D} - -Sd_Cds-CdCO -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 CO 0 {2,S} -5 C 0 {3,D} - -Sd_Cds-CdC=S -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {6,D} -4 Cd 0 {2,S} {5,D} -5 Sd 0 {4,D} -6 C 0 {3,D} - -Sd_Cds-CtCt -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Ct 0 {2,S} -4 Ct 0 {2,S} - -Sd_Cds-CtCb -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Ct 0 {2,S} -4 Cb 0 {2,S} - -Sd_Cds-CtCO -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Ct 0 {2,S} -4 CO 0 {2,S} - -Sd_Cds-CtC=S -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Ct 0 {2,S} -4 Cd 0 {2,S} {5,D} -5 Sd 0 {4,D} - -Sd_Cds-CbCb -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cb 0 {2,S} -4 Cb 0 {2,S} - -Sd_Cds-CbCO -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cb 0 {2,S} -4 CO 0 {2,S} - -Sd_Cds-CbC=S -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cb 0 {2,S} -4 Cd 0 {2,S} {5,D} -5 Sd 0 {4,D} - -Sd_Cds-COCO -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 CO 0 {2,S} -4 CO 0 {2,S} - -Sd_Cds-COC=S -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 CO 0 {2,S} -4 Cd 0 {2,S} {5,D} -5 Sd 0 {4,D} - -Sd_Cds-C=SC=S -1 *1 Sd 0 {2,D} -2 *2 Cd 0 {1,D} {3,S} {4,S} -3 Cd 0 {2,S} {5,D} -4 Cd 0 {2,S} {6,D} -5 Sd 0 {3,D} -6 Sd 0 {4,D} - -Sd_Cdd -1 *1 Sd 0 {2,D} -2 *2 Cdd 0 {1,D} {3,D} -3 R 0 {2,D} - -Sd_Cdd-Sd -1 *1 Sd 0 {2,D} -2 *2 Cdd 0 {1,D} {3,D} -3 Sd 0 {2,D} - -// -// Radical tree -// - -YJ -union {HJ, CJ, O_rad, SJ, Y_1centerbirad} - -HJ -1 *3 H 1 - -CJ -1 *3 C 1 - -CsJ -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-HHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-OsOsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 H 0 {1,S} - -CsJ-OsOsOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} - -CsJ-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-OsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-OsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OsOsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsSsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {H,Cs,Os,Ss} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-OneDeHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CtHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CbHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-COHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-C=SHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 Sd 0 {2,D} - -CsJ-OneDeCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CtCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CbCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-COCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-C=SCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Sd 0 {2,D} - -CsJ-OneDeCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CtCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-COCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-C=SCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Sd 0 {2,D} - -CsJ-OneDeOsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 H 0 {1,S} - -CsJ-OneDeSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-OneDeOsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OneDeOsOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} - -CsJ-OneDeOsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Ss 0 {1,S} - -CsJ-OneDeSsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OneDeSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-TwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-TwoDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -CsJ-CdCtH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 CO 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 C 0 {2,D} -6 Sd 0 {3,D} - -CsJ-CtCtH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ct 0 {1,S} -4 H 0 {1,S} - -CsJ-CtCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cb 0 {1,S} -4 H 0 {1,S} - -CsJ-CtCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-CtC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -CsJ-CbCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cb 0 {1,S} -4 H 0 {1,S} - -CsJ-CbCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-CbC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -CsJ-COCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-COC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -CsJ-C=SC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 Sd 0 {2,D} -6 Sd 0 {3,D} - -CsJ-TwoDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -CsJ-CdCtCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 CO 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 C 0 {2,D} -6 Sd 0 {3,D} - -CsJ-CtCtCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -CsJ-CbCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -CsJ-COCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-COC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -CsJ-C=SC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 Sd 0 {2,D} -6 Sd 0 {3,D} - -CsJ-TwoDeOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Os 0 {1,S} - -CsJ-TwoDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-ThreeDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-H -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-Cs -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-Cd -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-Ct -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Ct 0 {1,S} - -CdsJ-Cb -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cb 0 {1,S} - -CdsJ-CO -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 CO 0 {1,S} - -CdsJ-C=S -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 Sd 0 {3,D} - -CdsJ-Os -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Os 0 {1,S} - -CdsJ-Ss -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Ss 0 {1,S} - -CtJ -1 *3 Ct 1 {2,T} -2 C 0 {1,T} - -CbJ -1 *3 Cb 1 - -C=SJ -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 R 0 {1,S} - -C=SJ-H -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 H 0 {1,S} - -C=SJ-Cs -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cs 0 {1,S} - -C=SJ-Cd -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -C=SJ-Ct -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Ct 0 {1,S} - -C=SJ-Cb -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cb 0 {1,S} - -C=SJ-CO -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 CO 0 {1,S} - -C=SJ-C=S -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 Sd 0 {3,D} - -C=SJ-Os -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Os 0 {1,S} - -C=SJ-Ss -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Ss 0 {1,S} - -CO_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 R 0 {1,S} - -CO_pri_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 H 0 {1,S} - -CO_sec_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {R!H} 0 {1,S} - -CO_rad/NonDe -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cs,O} 0 {1,S} - -C2b -1 *3 C 1 {2,T} -2 C 1 {1,T} - -CO_rad/OneDe -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -O_rad -1 *3 O 1 {2,S} -2 R 0 {1,S} - -O_pri_rad -1 *3 O 1 {2,S} -2 H 0 {1,S} - -O_sec_rad -1 *3 O 1 {2,S} -2 {R!H} 0 {1,S} - -O_rad/NonDeC -1 *3 O 1 {2,S} -2 Cs 0 {1,S} - -O_rad/NonDeO -1 *3 O 1 {2,S} -2 O 0 {1,S} - -O_rad/OneDe -1 *3 O 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -O2b -1 *3 O 1 {2,S} -2 O 1 {1,S} - -Y_1centerbirad -1 *3 {Cs,Cd,O} 2 - -//CO_birad -//1 *3 C 2T {2,D} -//2 O 0 {1,D} - -O_atom_triplet -1 *3 O 2 - -CH2_triplet -1 *3 C 2 {2,S}, {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -SJ -1 *3 Ss 1 {2,S} -2 R 0 {1,S} - -SsJ -1 *3 Ss 1 {2,S} -2 R 0 {1,S} - -SsJ-H -1 *3 Ss 1 {2,S} -2 H 0 {1,S} - -SsJ-Cs -1 *3 Ss 1 {2,S} -2 Cs 0 {1,S} - -SsJ-Ss -1 *3 Ss 1 {2,S} -2 Ss 0 {1,S} - -SsJ-OneDe -1 *3 Ss 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-Cd -1 *3 Ss 1 {2,S} -2 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -SsJ-Ct -1 *3 Ss 1 {2,S} -2 Ct 0 {1,S} - -SsJ-Cb -1 *3 Ss 1 {2,S} -2 Cb 0 {1,S} - -SsJ-CO -1 *3 Ss 1 {2,S} -2 CO 0 {1,S} - -SsJ-C=S -1 *3 Ss 1 {2,S} -2 Cd 0 {1,S}, {3,D} -3 Sd 0 {2,D} - diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/rateLibrary.txt deleted file mode 100644 index 10a4c4d9a7..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/rateLibrary.txt +++ /dev/null @@ -1,2538 +0,0 @@ -// rate library for f02: Radical addition to multiple bond -// original from rate_library_4.txt. Cath. 03/07/28 - -// JS. define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -1 Cds-HH_Cds-HH CsJ-HHH 300-1500 2.09E+04 2.41 0 5.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2 Cds-HH_Cds-HH CsJ-CsHH 300-1500 2.12E+03 2.41 0 5.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -3 Cds-HH_Cds-HH CsJ-CsCsH 300-1500 1.70E+03 2.41 0 3.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -4 Cds-HH_Cds-HH CsJ-CsCsCs 300-1500 1.26E+03 2.41 0 2.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -5 Cds-HH_Cds-HH CsJ-CdHH 300-1500 2.21E+04 2.41 0 11.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -6 Cds-HH_Cds-HH CsJ-CdCsH 300-1500 3.84E+03 2.41 0 11.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -7 Cds-HH_Cds-HH CsJ-CdCsCs 300-1500 4.97E+02 2.41 0 10.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -8 Cds-HH_Cds-HH CsJ-CdCdH 300-1500 7.75E+03 2.41 0 16.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -9 Cds-HH_Cds-HH CsJ-CdCdCs 300-1500 2.65E+03 2.41 0 16.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -10 Cds-HH_Cds-HH CsJ-CbHH 300-1500 1.02E+04 2.41 0 9.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -11 Cds-HH_Cds-HH CsJ-CbCsH 300-1500 2.52E+03 2.41 0 8.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -12 Cds-HH_Cds-HH CsJ-CbCsCs 300-1500 4.03E+02 2.41 0 8.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -13 Cds-HH_Cds-HH CsJ-CtHH 300-1500 9.46E+03 2.41 0 9.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -14 Cds-HH_Cds-HH CsJ-CtCsH 300-1500 2.13E+03 2.41 0 8.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -15 Cds-HH_Cds-HH CsJ-CtCsCs 300-1500 5.44E+02 2.41 0 8.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -16 Cds-HH_Cds-HH CdsJ-H 300-1500 1.43E+04 2.41 0 1.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -17 Cds-HH_Cds-HH CdsJ-Cs 300-1500 7.59E+03 2.41 0 1.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -18 Cds-HH_Cds-HH CbJ 300-1500 2.26E+04 2.41 0 -0.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -19 Cds-HH_Cds-CsH CsJ-HHH 300-1500 2.10E+04 2.41 0 5.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -20 Cds-HH_Cds-CsH CsJ-CsHH 300-1500 2.13E+03 2.41 0 4.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -21 Cds-HH_Cds-CsH CsJ-CsCsH 300-1500 1.71E+03 2.41 0 3.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -22 Cds-HH_Cds-CsH CsJ-CsCsCs 300-1500 1.27E+03 2.41 0 2.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -23 Cds-HH_Cds-CsH CsJ-CdHH 300-1500 2.22E+04 2.41 0 11.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -24 Cds-HH_Cds-CsH CsJ-CdCsH 300-1500 3.86E+03 2.41 0 11.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -25 Cds-HH_Cds-CsH CsJ-CdCsCs 300-1500 4.99E+02 2.41 0 10.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -26 Cds-HH_Cds-CsH CsJ-CdCdH 300-1500 7.78E+03 2.41 0 16.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -27 Cds-HH_Cds-CsH CsJ-CdCdCs 300-1500 2.66E+03 2.41 0 15.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -28 Cds-HH_Cds-CsH CsJ-CbHH 300-1500 1.03E+04 2.41 0 9.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -29 Cds-HH_Cds-CsH CsJ-CbCsH 300-1500 2.53E+03 2.41 0 8.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -30 Cds-HH_Cds-CsH CsJ-CbCsCs 300-1500 4.04E+02 2.41 0 8.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -31 Cds-HH_Cds-CsH CsJ-CtHH 300-1500 9.50E+03 2.41 0 9.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -32 Cds-HH_Cds-CsH CsJ-CtCsH 300-1500 2.14E+03 2.41 0 8.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -33 Cds-HH_Cds-CsH CsJ-CtCsCs 300-1500 5.46E+02 2.41 0 7.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -34 Cds-HH_Cds-CsH CdsJ-H 300-1500 1.44E+04 2.41 0 1.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -35 Cds-HH_Cds-CsH CdsJ-Cs 300-1500 7.62E+03 2.41 0 1.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -36 Cds-HH_Cds-CsH CbJ 300-1500 2.27E+04 2.41 0 -0.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -37 Cds-HH_Cds-CsCs CsJ-HHH 300-1500 2.64E+04 2.41 0 4.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -38 Cds-HH_Cds-CsCs CsJ-CsHH 300-1500 2.68E+03 2.41 0 4.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -39 Cds-HH_Cds-CsCs CsJ-CsCsH 300-1500 2.15E+03 2.41 0 3.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -40 Cds-HH_Cds-CsCs CsJ-CsCsCs 300-1500 1.59E+03 2.41 0 1.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -41 Cds-HH_Cds-CsCs CsJ-CdHH 300-1500 2.79E+04 2.41 0 11.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -42 Cds-HH_Cds-CsCs CsJ-CdCsH 300-1500 4.86E+03 2.41 0 10.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -43 Cds-HH_Cds-CsCs CsJ-CdCsCs 300-1500 6.28E+02 2.41 0 10.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -44 Cds-HH_Cds-CsCs CsJ-CdCdH 300-1500 9.79E+03 2.41 0 15.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -45 Cds-HH_Cds-CsCs CsJ-CdCdCs 300-1500 3.34E+03 2.41 0 15.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -46 Cds-HH_Cds-CsCs CsJ-CbHH 300-1500 1.29E+04 2.41 0 8.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -47 Cds-HH_Cds-CsCs CsJ-CbCsH 300-1500 3.18E+03 2.41 0 8.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -48 Cds-HH_Cds-CsCs CsJ-CbCsCs 300-1500 5.09E+02 2.41 0 7.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -49 Cds-HH_Cds-CsCs CsJ-CtHH 300-1500 1.20E+04 2.41 0 8.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -50 Cds-HH_Cds-CsCs CsJ-CtCsH 300-1500 2.69E+03 2.41 0 8.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -51 Cds-HH_Cds-CsCs CsJ-CtCsCs 300-1500 6.87E+02 2.41 0 7.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -52 Cds-HH_Cds-CsCs CdsJ-H 300-1500 1.81E+04 2.41 0 1.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -53 Cds-HH_Cds-CsCs CdsJ-Cs 300-1500 9.58E+03 2.41 0 0.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -54 Cds-HH_Cds-CsCs CbJ 300-1500 2.86E+04 2.41 0 -1.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -55 Cds-HH_Cds-CdH CsJ-HHH 300-1500 2.36E+04 2.41 0 2.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -56 Cds-HH_Cds-CdH CsJ-CsHH 300-1500 2.39E+03 2.41 0 1.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -57 Cds-HH_Cds-CdH CsJ-CsCsH 300-1500 1.92E+03 2.41 0 0.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -58 Cds-HH_Cds-CdH CsJ-CsCsCs 300-1500 1.42E+03 2.41 0 -0.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -59 Cds-HH_Cds-CdH CsJ-CdHH 300-1500 2.49E+04 2.41 0 8.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -60 Cds-HH_Cds-CdH CsJ-CdCsH 300-1500 4.33E+03 2.41 0 8.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -61 Cds-HH_Cds-CdH CsJ-CdCsCs 300-1500 5.61E+02 2.41 0 7.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -62 Cds-HH_Cds-CdH CsJ-CdCdH 300-1500 8.74E+03 2.41 0 13.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -63 Cds-HH_Cds-CdH CsJ-CdCdCs 300-1500 2.98E+03 2.41 0 13.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -64 Cds-HH_Cds-CdH CsJ-CbHH 300-1500 1.15E+04 2.41 0 6.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -65 Cds-HH_Cds-CdH CsJ-CbCsH 300-1500 2.84E+03 2.41 0 5.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -66 Cds-HH_Cds-CdH CsJ-CbCsCs 300-1500 4.54E+02 2.41 0 5.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -67 Cds-HH_Cds-CdH CsJ-CtHH 300-1500 1.07E+04 2.41 0 6.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -68 Cds-HH_Cds-CdH CsJ-CtCsH 300-1500 2.40E+03 2.41 0 5.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -69 Cds-HH_Cds-CdH CsJ-CtCsCs 300-1500 6.14E+02 2.41 0 5.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -70 Cds-HH_Cds-CdH CdsJ-H 300-1500 1.61E+04 2.41 0 -1.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -71 Cds-HH_Cds-CdH CdsJ-Cs 300-1500 8.55E+03 2.41 0 -1.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -72 Cds-HH_Cds-CdH CbJ 300-1500 2.55E+04 2.41 0 -3.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -73 Cds-HH_Cds-CdCs CsJ-HHH 300-1500 2.68E+04 2.41 0 2.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -74 Cds-HH_Cds-CdCs CsJ-CsHH 300-1500 2.72E+03 2.41 0 1.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -75 Cds-HH_Cds-CdCs CsJ-CsCsH 300-1500 2.18E+03 2.41 0 0.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -76 Cds-HH_Cds-CdCs CsJ-CsCsCs 300-1500 1.61E+03 2.41 0 -1.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -77 Cds-HH_Cds-CdCs CsJ-CdHH 300-1500 2.82E+04 2.41 0 8.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -78 Cds-HH_Cds-CdCs CsJ-CdCsH 300-1500 4.92E+03 2.41 0 8.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -79 Cds-HH_Cds-CdCs CsJ-CdCsCs 300-1500 6.36E+02 2.41 0 7.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -80 Cds-HH_Cds-CdCs CsJ-CdCdH 300-1500 9.92E+03 2.41 0 12.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -81 Cds-HH_Cds-CdCs CsJ-CdCdCs 300-1500 3.39E+03 2.41 0 12.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -82 Cds-HH_Cds-CdCs CsJ-CbHH 300-1500 1.31E+04 2.41 0 6.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -83 Cds-HH_Cds-CdCs CsJ-CbCsH 300-1500 3.22E+03 2.41 0 5.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -84 Cds-HH_Cds-CdCs CsJ-CbCsCs 300-1500 5.15E+02 2.41 0 4.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -85 Cds-HH_Cds-CdCs CsJ-CtHH 300-1500 1.21E+04 2.41 0 5.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -86 Cds-HH_Cds-CdCs CsJ-CtCsH 300-1500 2.73E+03 2.41 0 5.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -87 Cds-HH_Cds-CdCs CsJ-CtCsCs 300-1500 6.96E+02 2.41 0 4.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -88 Cds-HH_Cds-CdCs CdsJ-H 300-1500 1.83E+04 2.41 0 -1.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -89 Cds-HH_Cds-CdCs CdsJ-Cs 300-1500 9.71E+03 2.41 0 -1.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -90 Cds-HH_Cds-CdCs CbJ 300-1500 2.89E+04 2.41 0 -4.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -91 Cds-HH_Cds-CdCd CsJ-HHH 300-1500 8.16E+04 2.41 0 1.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -92 Cds-HH_Cds-CdCd CsJ-CsHH 300-1500 8.28E+03 2.41 0 0.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -93 Cds-HH_Cds-CdCd CsJ-CsCsH 300-1500 6.64E+03 2.41 0 -0.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -94 Cds-HH_Cds-CdCd CsJ-CsCsCs 300-1500 4.92E+03 2.41 0 -1.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -95 Cds-HH_Cds-CdCd CsJ-CdHH 300-1500 8.61E+04 2.41 0 7.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -96 Cds-HH_Cds-CdCd CsJ-CdCsH 300-1500 1.50E+04 2.41 0 7.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -97 Cds-HH_Cds-CdCd CsJ-CdCsCs 300-1500 1.94E+03 2.41 0 6.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -98 Cds-HH_Cds-CdCd CsJ-CdCdH 300-1500 3.02E+04 2.41 0 12.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -99 Cds-HH_Cds-CdCd CsJ-CdCdCs 300-1500 1.03E+04 2.41 0 11.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -100 Cds-HH_Cds-CdCd CsJ-CbHH 300-1500 3.99E+04 2.41 0 5.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -101 Cds-HH_Cds-CdCd CsJ-CbCsH 300-1500 9.82E+03 2.41 0 4.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -102 Cds-HH_Cds-CdCd CsJ-CbCsCs 300-1500 1.57E+03 2.41 0 3.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -103 Cds-HH_Cds-CdCd CsJ-CtHH 300-1500 3.69E+04 2.41 0 4.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -104 Cds-HH_Cds-CdCd CsJ-CtCsH 300-1500 8.32E+03 2.41 0 4.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -105 Cds-HH_Cds-CdCd CsJ-CtCsCs 300-1500 2.12E+03 2.41 0 3.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -106 Cds-HH_Cds-CdCd CdsJ-H 300-1500 5.58E+04 2.41 0 -2.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -107 Cds-HH_Cds-CdCd CdsJ-Cs 300-1500 2.96E+04 2.41 0 -2.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -108 Cds-HH_Cds-CdCd CbJ 300-1500 8.81E+04 2.41 0 -5.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -109 Cds-HH_Cds-CbH CsJ-HHH 300-1500 7.70E+03 2.41 0 4.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -110 Cds-HH_Cds-CbH CsJ-CsHH 300-1500 7.82E+02 2.41 0 3.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -111 Cds-HH_Cds-CbH CsJ-CsCsH 300-1500 6.27E+02 2.41 0 2.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -112 Cds-HH_Cds-CbH CsJ-CsCsCs 300-1500 4.64E+02 2.41 0 1.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -113 Cds-HH_Cds-CbH CsJ-CdHH 300-1500 8.12E+03 2.41 0 10.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -114 Cds-HH_Cds-CbH CsJ-CdCsH 300-1500 1.41E+03 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -115 Cds-HH_Cds-CbH CsJ-CdCsCs 300-1500 1.83E+02 2.41 0 9.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -116 Cds-HH_Cds-CbH CsJ-CdCdH 300-1500 2.85E+03 2.41 0 15.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -117 Cds-HH_Cds-CbH CsJ-CdCdCs 300-1500 9.74E+02 2.41 0 14.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -118 Cds-HH_Cds-CbH CsJ-CbHH 300-1500 3.77E+03 2.41 0 8.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -119 Cds-HH_Cds-CbH CsJ-CbCsH 300-1500 9.26E+02 2.41 0 7.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -120 Cds-HH_Cds-CbH CsJ-CbCsCs 300-1500 1.48E+02 2.41 0 7.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -121 Cds-HH_Cds-CbH CsJ-CtHH 300-1500 3.48E+03 2.41 0 7.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -122 Cds-HH_Cds-CbH CsJ-CtCsH 300-1500 7.85E+02 2.41 0 7.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -123 Cds-HH_Cds-CbH CsJ-CtCsCs 300-1500 2.00E+02 2.41 0 6.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -124 Cds-HH_Cds-CbH CdsJ-H 300-1500 5.27E+03 2.41 0 0.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -125 Cds-HH_Cds-CbH CdsJ-Cs 300-1500 2.79E+03 2.41 0 0.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -126 Cds-HH_Cds-CbH CbJ 300-1500 8.32E+03 2.41 0 -1.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -127 Cds-HH_Cds-CbCs CsJ-HHH 300-1500 1.63E+04 2.41 0 4.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -128 Cds-HH_Cds-CbCs CsJ-CsHH 300-1500 1.66E+03 2.41 0 3.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -129 Cds-HH_Cds-CbCs CsJ-CsCsH 300-1500 1.33E+03 2.41 0 2.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -130 Cds-HH_Cds-CbCs CsJ-CsCsCs 300-1500 9.85E+02 2.41 0 0.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -131 Cds-HH_Cds-CbCs CsJ-CdHH 300-1500 1.72E+04 2.41 0 10.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -132 Cds-HH_Cds-CbCs CsJ-CdCsH 300-1500 3.00E+03 2.41 0 10.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -133 Cds-HH_Cds-CbCs CsJ-CdCsCs 300-1500 3.88E+02 2.41 0 9.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -134 Cds-HH_Cds-CbCs CsJ-CdCdH 300-1500 6.05E+03 2.41 0 14.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -135 Cds-HH_Cds-CbCs CsJ-CdCdCs 300-1500 2.07E+03 2.41 0 14.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -136 Cds-HH_Cds-CbCs CsJ-CbHH 300-1500 7.99E+03 2.41 0 8.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -137 Cds-HH_Cds-CbCs CsJ-CbCsH 300-1500 1.96E+03 2.41 0 7.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -138 Cds-HH_Cds-CbCs CsJ-CbCsCs 300-1500 3.14E+02 2.41 0 6.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -139 Cds-HH_Cds-CbCs CsJ-CtHH 300-1500 7.38E+03 2.41 0 7.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -140 Cds-HH_Cds-CbCs CsJ-CtCsH 300-1500 1.66E+03 2.41 0 7.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -141 Cds-HH_Cds-CbCs CsJ-CtCsCs 300-1500 4.25E+02 2.41 0 6.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -142 Cds-HH_Cds-CbCs CdsJ-H 300-1500 1.12E+04 2.41 0 0.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -143 Cds-HH_Cds-CbCs CdsJ-Cs 300-1500 5.92E+03 2.41 0 0.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -144 Cds-HH_Cds-CbCs CbJ 300-1500 1.76E+04 2.41 0 -2.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -145 Cds-HH_Cds-CtH CsJ-HHH 300-1500 3.06E+04 2.41 0 2.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -146 Cds-HH_Cds-CtH CsJ-CsHH 300-1500 3.10E+03 2.41 0 1.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -147 Cds-HH_Cds-CtH CsJ-CsCsH 300-1500 2.49E+03 2.41 0 0.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -148 Cds-HH_Cds-CtH CsJ-CsCsCs 300-1500 1.84E+03 2.41 0 -0.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -149 Cds-HH_Cds-CtH CsJ-CdHH 300-1500 3.23E+04 2.41 0 8.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -150 Cds-HH_Cds-CtH CsJ-CdCsH 300-1500 5.62E+03 2.41 0 8.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -151 Cds-HH_Cds-CtH CsJ-CdCsCs 300-1500 7.27E+02 2.41 0 7.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -152 Cds-HH_Cds-CtH CsJ-CdCdH 300-1500 1.13E+04 2.41 0 13.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -153 Cds-HH_Cds-CtH CsJ-CdCdCs 300-1500 3.87E+03 2.41 0 13.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -154 Cds-HH_Cds-CtH CsJ-CbHH 300-1500 1.50E+04 2.41 0 6.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -155 Cds-HH_Cds-CtH CsJ-CbCsH 300-1500 3.68E+03 2.41 0 5.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -156 Cds-HH_Cds-CtH CsJ-CbCsCs 300-1500 5.89E+02 2.41 0 5.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -157 Cds-HH_Cds-CtH CsJ-CtHH 300-1500 1.38E+04 2.41 0 6.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -158 Cds-HH_Cds-CtH CsJ-CtCsH 300-1500 3.12E+03 2.41 0 5.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -159 Cds-HH_Cds-CtH CsJ-CtCsCs 300-1500 7.95E+02 2.41 0 4.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -160 Cds-HH_Cds-CtH CdsJ-H 300-1500 2.09E+04 2.41 0 -1.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -161 Cds-HH_Cds-CtH CdsJ-Cs 300-1500 1.11E+04 2.41 0 -1.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -162 Cds-HH_Cds-CtH CbJ 300-1500 3.30E+04 2.41 0 -3.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -163 Cds-HH_Cds-CtCs CsJ-HHH 300-1500 3.13E+04 2.41 0 2.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -164 Cds-HH_Cds-CtCs CsJ-CsHH 300-1500 3.18E+03 2.41 0 1.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -165 Cds-HH_Cds-CtCs CsJ-CsCsH 300-1500 2.55E+03 2.41 0 0.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -166 Cds-HH_Cds-CtCs CsJ-CsCsCs 300-1500 1.89E+03 2.41 0 -0.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -167 Cds-HH_Cds-CtCs CsJ-CdHH 300-1500 3.30E+04 2.41 0 8.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -168 Cds-HH_Cds-CtCs CsJ-CdCsH 300-1500 5.75E+03 2.41 0 8.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -169 Cds-HH_Cds-CtCs CsJ-CdCsCs 300-1500 7.44E+02 2.41 0 7.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -170 Cds-HH_Cds-CtCs CsJ-CdCdH 300-1500 1.16E+04 2.41 0 13.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -171 Cds-HH_Cds-CtCs CsJ-CdCdCs 300-1500 3.96E+03 2.41 0 12.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -172 Cds-HH_Cds-CtCs CsJ-CbHH 300-1500 1.53E+04 2.41 0 6.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -173 Cds-HH_Cds-CtCs CsJ-CbCsH 300-1500 3.77E+03 2.41 0 5.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -174 Cds-HH_Cds-CtCs CsJ-CbCsCs 300-1500 6.03E+02 2.41 0 5.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -175 Cds-HH_Cds-CtCs CsJ-CtHH 300-1500 1.42E+04 2.41 0 6.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -176 Cds-HH_Cds-CtCs CsJ-CtCsH 300-1500 3.19E+03 2.41 0 5.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -177 Cds-HH_Cds-CtCs CsJ-CtCsCs 300-1500 8.14E+02 2.41 0 4.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -178 Cds-HH_Cds-CtCs CdsJ-H 300-1500 2.14E+04 2.41 0 -1.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -179 Cds-HH_Cds-CtCs CdsJ-Cs 300-1500 1.14E+04 2.41 0 -1.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -180 Cds-HH_Cds-CtCs CbJ 300-1500 3.38E+04 2.41 0 -3.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -181 Cds-HH_Ca CsJ-HHH 300-1500 2.26E+04 2.41 0 6.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -182 Cds-HH_Ca CsJ-CsHH 300-1500 2.29E+03 2.41 0 5.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -183 Cds-HH_Ca CsJ-CsCsH 300-1500 1.84E+03 2.41 0 4.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -184 Cds-HH_Ca CsJ-CsCsCs 300-1500 1.36E+03 2.41 0 3.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -185 Cds-HH_Ca CsJ-CdHH 300-1500 2.38E+04 2.41 0 12.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -186 Cds-HH_Ca CsJ-CdCsH 300-1500 4.15E+03 2.41 0 12.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -187 Cds-HH_Ca CsJ-CdCsCs 300-1500 5.37E+02 2.41 0 11.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -188 Cds-HH_Ca CsJ-CdCdH 300-1500 8.37E+03 2.41 0 17.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -189 Cds-HH_Ca CsJ-CdCdCs 300-1500 2.86E+03 2.41 0 16.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -190 Cds-HH_Ca CsJ-CbHH 300-1500 1.11E+04 2.41 0 10.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -191 Cds-HH_Ca CsJ-CbCsH 300-1500 2.72E+03 2.41 0 9.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -192 Cds-HH_Ca CsJ-CbCsCs 300-1500 4.35E+02 2.41 0 8.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -193 Cds-HH_Ca CsJ-CtHH 300-1500 1.02E+04 2.41 0 9.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -194 Cds-HH_Ca CsJ-CtCsH 300-1500 2.30E+03 2.41 0 9.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -195 Cds-HH_Ca CsJ-CtCsCs 300-1500 5.88E+02 2.41 0 8.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -196 Cds-HH_Ca CdsJ-H 300-1500 1.54E+04 2.41 0 2.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -197 Cds-HH_Ca CdsJ-Cs 300-1500 8.19E+03 2.41 0 2.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -198 Cds-HH_Ca CbJ 300-1500 2.44E+04 2.41 0 -0.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -199 Cds-CsH_Cds-HH CsJ-HHH 300-1500 1.00E+04 2.41 0 7.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -200 Cds-CsH_Cds-HH CsJ-CsHH 300-1500 1.02E+03 2.41 0 6.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -201 Cds-CsH_Cds-HH CsJ-CsCsH 300-1500 8.18E+02 2.41 0 5.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -202 Cds-CsH_Cds-HH CsJ-CsCsCs 300-1500 6.06E+02 2.41 0 3.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -203 Cds-CsH_Cds-HH CsJ-CdHH 300-1500 1.06E+04 2.41 0 13.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -204 Cds-CsH_Cds-HH CsJ-CdCsH 300-1500 1.85E+03 2.41 0 13.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -205 Cds-CsH_Cds-HH CsJ-CdCsCs 300-1500 2.39E+02 2.41 0 12.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -206 Cds-CsH_Cds-HH CsJ-CdCdH 300-1500 3.72E+03 2.41 0 17.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -207 Cds-CsH_Cds-HH CsJ-CdCdCs 300-1500 1.27E+03 2.41 0 17.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -208 Cds-CsH_Cds-HH CsJ-CbHH 300-1500 4.91E+03 2.41 0 11.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -209 Cds-CsH_Cds-HH CsJ-CbCsH 300-1500 1.21E+03 2.41 0 10.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -210 Cds-CsH_Cds-HH CsJ-CbCsCs 300-1500 1.93E+02 2.41 0 9.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -211 Cds-CsH_Cds-HH CsJ-CtHH 300-1500 4.54E+03 2.41 0 10.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -212 Cds-CsH_Cds-HH CsJ-CtCsH 300-1500 1.02E+03 2.41 0 10.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -213 Cds-CsH_Cds-HH CsJ-CtCsCs 300-1500 2.61E+02 2.41 0 9.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -214 Cds-CsH_Cds-HH CdsJ-H 300-1500 6.87E+03 2.41 0 3.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -215 Cds-CsH_Cds-HH CdsJ-Cs 300-1500 3.64E+03 2.41 0 3.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -216 Cds-CsH_Cds-HH CbJ 300-1500 1.08E+04 2.41 0 0.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -217 Cds-CsH_Cds-CsH CsJ-HHH 300-1500 1.01E+04 2.41 0 6.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -218 Cds-CsH_Cds-CsH CsJ-CsHH 300-1500 1.02E+03 2.41 0 6.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -219 Cds-CsH_Cds-CsH CsJ-CsCsH 300-1500 8.21E+02 2.41 0 5.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -220 Cds-CsH_Cds-CsH CsJ-CsCsCs 300-1500 6.08E+02 2.41 0 3.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -221 Cds-CsH_Cds-CsH CsJ-CdHH 300-1500 1.06E+04 2.41 0 13.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -222 Cds-CsH_Cds-CsH CsJ-CdCsH 300-1500 1.85E+03 2.41 0 12.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -223 Cds-CsH_Cds-CsH CsJ-CdCsCs 300-1500 2.40E+02 2.41 0 11.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -224 Cds-CsH_Cds-CsH CsJ-CdCdH 300-1500 3.74E+03 2.41 0 17.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -225 Cds-CsH_Cds-CsH CsJ-CdCdCs 300-1500 1.28E+03 2.41 0 17.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -226 Cds-CsH_Cds-CsH CsJ-CbHH 300-1500 4.93E+03 2.41 0 10.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -227 Cds-CsH_Cds-CsH CsJ-CbCsH 300-1500 1.21E+03 2.41 0 10.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -228 Cds-CsH_Cds-CsH CsJ-CbCsCs 300-1500 1.94E+02 2.41 0 9.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -229 Cds-CsH_Cds-CsH CsJ-CtHH 300-1500 4.56E+03 2.41 0 10.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -230 Cds-CsH_Cds-CsH CsJ-CtCsH 300-1500 1.03E+03 2.41 0 10.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -231 Cds-CsH_Cds-CsH CsJ-CtCsCs 300-1500 2.62E+02 2.41 0 9.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -232 Cds-CsH_Cds-CsH CdsJ-H 300-1500 6.90E+03 2.41 0 2.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -233 Cds-CsH_Cds-CsH CdsJ-Cs 300-1500 3.66E+03 2.41 0 2.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -234 Cds-CsH_Cds-CsH CbJ 300-1500 1.09E+04 2.41 0 0.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -235 Cds-CsH_Cds-CsCs CsJ-HHH 300-1500 1.27E+04 2.41 0 6.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -236 Cds-CsH_Cds-CsCs CsJ-CsHH 300-1500 1.29E+03 2.41 0 5.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -237 Cds-CsH_Cds-CsCs CsJ-CsCsH 300-1500 1.03E+03 2.41 0 4.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -238 Cds-CsH_Cds-CsCs CsJ-CsCsCs 300-1500 7.65E+02 2.41 0 3.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -239 Cds-CsH_Cds-CsCs CsJ-CdHH 300-1500 1.34E+04 2.41 0 12.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -240 Cds-CsH_Cds-CsCs CsJ-CdCsH 300-1500 2.33E+03 2.41 0 12.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -241 Cds-CsH_Cds-CsCs CsJ-CdCsCs 300-1500 3.01E+02 2.41 0 11.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -242 Cds-CsH_Cds-CsCs CsJ-CdCdH 300-1500 4.70E+03 2.41 0 17.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -243 Cds-CsH_Cds-CsCs CsJ-CdCdCs 300-1500 1.60E+03 2.41 0 17.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -244 Cds-CsH_Cds-CsCs CsJ-CbHH 300-1500 6.21E+03 2.41 0 10.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -245 Cds-CsH_Cds-CsCs CsJ-CbCsH 300-1500 1.53E+03 2.41 0 9.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -246 Cds-CsH_Cds-CsCs CsJ-CbCsCs 300-1500 2.44E+02 2.41 0 9.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -247 Cds-CsH_Cds-CsCs CsJ-CtHH 300-1500 5.74E+03 2.41 0 10.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -248 Cds-CsH_Cds-CsCs CsJ-CtCsH 300-1500 1.29E+03 2.41 0 9.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -249 Cds-CsH_Cds-CsCs CsJ-CtCsCs 300-1500 3.30E+02 2.41 0 8.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -250 Cds-CsH_Cds-CsCs CdsJ-H 300-1500 8.68E+03 2.41 0 2.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -251 Cds-CsH_Cds-CsCs CdsJ-Cs 300-1500 4.60E+03 2.41 0 2.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -252 Cds-CsH_Cds-CsCs CbJ 300-1500 1.37E+04 2.41 0 0.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -253 Cds-CsH_Cds-CdH CsJ-HHH 300-1500 1.13E+04 2.41 0 4.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -254 Cds-CsH_Cds-CdH CsJ-CsHH 300-1500 1.15E+03 2.41 0 3.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -255 Cds-CsH_Cds-CdH CsJ-CsCsH 300-1500 9.22E+02 2.41 0 2.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -256 Cds-CsH_Cds-CdH CsJ-CsCsCs 300-1500 6.83E+02 2.41 0 0.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -257 Cds-CsH_Cds-CdH CsJ-CdHH 300-1500 1.19E+04 2.41 0 10.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -258 Cds-CsH_Cds-CdH CsJ-CdCsH 300-1500 2.08E+03 2.41 0 10.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -259 Cds-CsH_Cds-CdH CsJ-CdCsCs 300-1500 2.69E+02 2.41 0 9.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -260 Cds-CsH_Cds-CdH CsJ-CdCdH 300-1500 4.19E+03 2.41 0 14.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -261 Cds-CsH_Cds-CdH CsJ-CdCdCs 300-1500 1.43E+03 2.41 0 14.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -262 Cds-CsH_Cds-CdH CsJ-CbHH 300-1500 5.54E+03 2.41 0 7.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -263 Cds-CsH_Cds-CdH CsJ-CbCsH 300-1500 1.36E+03 2.41 0 7.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -264 Cds-CsH_Cds-CdH CsJ-CbCsCs 300-1500 2.18E+02 2.41 0 6.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -265 Cds-CsH_Cds-CdH CsJ-CtHH 300-1500 5.12E+03 2.41 0 7.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -266 Cds-CsH_Cds-CdH CsJ-CtCsH 300-1500 1.15E+03 2.41 0 7.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -267 Cds-CsH_Cds-CdH CsJ-CtCsCs 300-1500 2.95E+02 2.41 0 6.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -268 Cds-CsH_Cds-CdH CdsJ-H 300-1500 7.74E+03 2.41 0 0.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -269 Cds-CsH_Cds-CdH CdsJ-Cs 300-1500 4.11E+03 2.41 0 -0.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -270 Cds-CsH_Cds-CdH CbJ 300-1500 1.22E+04 2.41 0 -2.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -271 Cds-CsH_Cds-CdCs CsJ-HHH 300-1500 1.28E+04 2.41 0 3.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -272 Cds-CsH_Cds-CdCs CsJ-CsHH 300-1500 1.30E+03 2.41 0 3.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -273 Cds-CsH_Cds-CdCs CsJ-CsCsH 300-1500 1.05E+03 2.41 0 1.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -274 Cds-CsH_Cds-CdCs CsJ-CsCsCs 300-1500 7.75E+02 2.41 0 0.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -275 Cds-CsH_Cds-CdCs CsJ-CdHH 300-1500 1.36E+04 2.41 0 9.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -276 Cds-CsH_Cds-CdCs CsJ-CdCsH 300-1500 2.36E+03 2.41 0 9.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -277 Cds-CsH_Cds-CdCs CsJ-CdCsCs 300-1500 3.05E+02 2.41 0 8.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -278 Cds-CsH_Cds-CdCs CsJ-CdCdH 300-1500 4.76E+03 2.41 0 14.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -279 Cds-CsH_Cds-CdCs CsJ-CdCdCs 300-1500 1.63E+03 2.41 0 14.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -280 Cds-CsH_Cds-CdCs CsJ-CbHH 300-1500 6.29E+03 2.41 0 7.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -281 Cds-CsH_Cds-CdCs CsJ-CbCsH 300-1500 1.55E+03 2.41 0 6.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -282 Cds-CsH_Cds-CdCs CsJ-CbCsCs 300-1500 2.47E+02 2.41 0 6.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -283 Cds-CsH_Cds-CdCs CsJ-CtHH 300-1500 5.81E+03 2.41 0 7.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -284 Cds-CsH_Cds-CdCs CsJ-CtCsH 300-1500 1.31E+03 2.41 0 6.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -285 Cds-CsH_Cds-CdCs CsJ-CtCsCs 300-1500 3.34E+02 2.41 0 6.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -286 Cds-CsH_Cds-CdCs CdsJ-H 300-1500 8.79E+03 2.41 0 -0.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -287 Cds-CsH_Cds-CdCs CdsJ-Cs 300-1500 4.66E+03 2.41 0 -0.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -288 Cds-CsH_Cds-CdCs CbJ 300-1500 1.39E+04 2.41 0 -2.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -289 Cds-CsH_Cds-CdCd CsJ-HHH 300-1500 3.91E+04 2.41 0 2.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -290 Cds-CsH_Cds-CdCd CsJ-CsHH 300-1500 3.98E+03 2.41 0 2.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -291 Cds-CsH_Cds-CdCd CsJ-CsCsH 300-1500 3.19E+03 2.41 0 0.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -292 Cds-CsH_Cds-CdCd CsJ-CsCsCs 300-1500 2.36E+03 2.41 0 -0.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -293 Cds-CsH_Cds-CdCd CsJ-CdHH 300-1500 4.13E+04 2.41 0 8.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -294 Cds-CsH_Cds-CdCd CsJ-CdCsH 300-1500 7.20E+03 2.41 0 8.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -295 Cds-CsH_Cds-CdCd CsJ-CdCsCs 300-1500 9.31E+02 2.41 0 7.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -296 Cds-CsH_Cds-CdCd CsJ-CdCdH 300-1500 1.45E+04 2.41 0 13.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -297 Cds-CsH_Cds-CdCd CsJ-CdCdCs 300-1500 4.95E+03 2.41 0 13.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -298 Cds-CsH_Cds-CdCd CsJ-CbHH 300-1500 1.92E+04 2.41 0 6.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -299 Cds-CsH_Cds-CdCd CsJ-CbCsH 300-1500 4.71E+03 2.41 0 5.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -300 Cds-CsH_Cds-CdCd CsJ-CbCsCs 300-1500 7.54E+02 2.41 0 5.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -301 Cds-CsH_Cds-CdCd CsJ-CtHH 300-1500 1.77E+04 2.41 0 6.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -302 Cds-CsH_Cds-CdCd CsJ-CtCsH 300-1500 3.99E+03 2.41 0 5.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -303 Cds-CsH_Cds-CdCd CsJ-CtCsCs 300-1500 1.02E+03 2.41 0 5.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -304 Cds-CsH_Cds-CdCd CdsJ-H 300-1500 2.68E+04 2.41 0 -1.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -305 Cds-CsH_Cds-CdCd CdsJ-Cs 300-1500 1.42E+04 2.41 0 -1.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -306 Cds-CsH_Cds-CdCd CbJ 300-1500 4.23E+04 2.41 0 -3.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -307 Cds-CsH_Cds-CbH CsJ-HHH 300-1500 3.69E+03 2.41 0 5.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -308 Cds-CsH_Cds-CbH CsJ-CsHH 300-1500 3.75E+02 2.41 0 5.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -309 Cds-CsH_Cds-CbH CsJ-CsCsH 300-1500 3.01E+02 2.41 0 3.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -310 Cds-CsH_Cds-CbH CsJ-CsCsCs 300-1500 2.23E+02 2.41 0 2.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -311 Cds-CsH_Cds-CbH CsJ-CdHH 300-1500 3.90E+03 2.41 0 12.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -312 Cds-CsH_Cds-CbH CsJ-CdCsH 300-1500 6.79E+02 2.41 0 11.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -313 Cds-CsH_Cds-CbH CsJ-CdCsCs 300-1500 8.78E+01 2.41 0 10.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -314 Cds-CsH_Cds-CbH CsJ-CdCdH 300-1500 1.37E+03 2.41 0 16.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -315 Cds-CsH_Cds-CbH CsJ-CdCdCs 300-1500 4.67E+02 2.41 0 16.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -316 Cds-CsH_Cds-CbH CsJ-CbHH 300-1500 1.81E+03 2.41 0 9.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -317 Cds-CsH_Cds-CbH CsJ-CbCsH 300-1500 4.45E+02 2.41 0 9.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -318 Cds-CsH_Cds-CbH CsJ-CbCsCs 300-1500 7.11E+01 2.41 0 8.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -319 Cds-CsH_Cds-CbH CsJ-CtHH 300-1500 1.67E+03 2.41 0 9.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -320 Cds-CsH_Cds-CbH CsJ-CtCsH 300-1500 3.77E+02 2.41 0 9.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -321 Cds-CsH_Cds-CbH CsJ-CtCsCs 300-1500 9.61E+01 2.41 0 8.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -322 Cds-CsH_Cds-CbH CdsJ-H 300-1500 2.53E+03 2.41 0 1.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -323 Cds-CsH_Cds-CbH CdsJ-Cs 300-1500 1.34E+03 2.41 0 1.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -324 Cds-CsH_Cds-CbH CbJ 300-1500 3.99E+03 2.41 0 -0.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -325 Cds-CsH_Cds-CbCs CsJ-HHH 300-1500 7.84E+03 2.41 0 5.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -326 Cds-CsH_Cds-CbCs CsJ-CsHH 300-1500 7.96E+02 2.41 0 5.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -327 Cds-CsH_Cds-CbCs CsJ-CsCsH 300-1500 6.38E+02 2.41 0 3.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -328 Cds-CsH_Cds-CbCs CsJ-CsCsCs 300-1500 4.73E+02 2.41 0 2.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -329 Cds-CsH_Cds-CbCs CsJ-CdHH 300-1500 8.27E+03 2.41 0 11.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -330 Cds-CsH_Cds-CbCs CsJ-CdCsH 300-1500 1.44E+03 2.41 0 11.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -331 Cds-CsH_Cds-CbCs CsJ-CdCsCs 300-1500 1.86E+02 2.41 0 10.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -332 Cds-CsH_Cds-CbCs CsJ-CdCdH 300-1500 2.90E+03 2.41 0 16.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -333 Cds-CsH_Cds-CbCs CsJ-CdCdCs 300-1500 9.91E+02 2.41 0 16.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -334 Cds-CsH_Cds-CbCs CsJ-CbHH 300-1500 3.83E+03 2.41 0 9.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -335 Cds-CsH_Cds-CbCs CsJ-CbCsH 300-1500 9.43E+02 2.41 0 8.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -336 Cds-CsH_Cds-CbCs CsJ-CbCsCs 300-1500 1.51E+02 2.41 0 8.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -337 Cds-CsH_Cds-CbCs CsJ-CtHH 300-1500 3.54E+03 2.41 0 9.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -338 Cds-CsH_Cds-CbCs CsJ-CtCsH 300-1500 7.99E+02 2.41 0 8.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -339 Cds-CsH_Cds-CbCs CsJ-CtCsCs 300-1500 2.04E+02 2.41 0 8.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -340 Cds-CsH_Cds-CbCs CdsJ-H 300-1500 5.36E+03 2.41 0 1.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -341 Cds-CsH_Cds-CbCs CdsJ-Cs 300-1500 2.84E+03 2.41 0 1.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -342 Cds-CsH_Cds-CbCs CbJ 300-1500 8.47E+03 2.41 0 -0.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -343 Cds-CsH_Cds-CtH CsJ-HHH 300-1500 1.47E+04 2.41 0 3.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -344 Cds-CsH_Cds-CtH CsJ-CsHH 300-1500 1.49E+03 2.41 0 3.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -345 Cds-CsH_Cds-CtH CsJ-CsCsH 300-1500 1.20E+03 2.41 0 2.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -346 Cds-CsH_Cds-CtH CsJ-CsCsCs 300-1500 8.85E+02 2.41 0 0.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -347 Cds-CsH_Cds-CtH CsJ-CdHH 300-1500 1.55E+04 2.41 0 10.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -348 Cds-CsH_Cds-CtH CsJ-CdCsH 300-1500 2.70E+03 2.41 0 9.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -349 Cds-CsH_Cds-CtH CsJ-CdCsCs 300-1500 3.49E+02 2.41 0 8.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -350 Cds-CsH_Cds-CtH CsJ-CdCdH 300-1500 5.44E+03 2.41 0 14.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -351 Cds-CsH_Cds-CtH CsJ-CdCdCs 300-1500 1.86E+03 2.41 0 14.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -352 Cds-CsH_Cds-CtH CsJ-CbHH 300-1500 7.18E+03 2.41 0 7.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -353 Cds-CsH_Cds-CtH CsJ-CbCsH 300-1500 1.77E+03 2.41 0 7.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -354 Cds-CsH_Cds-CtH CsJ-CbCsCs 300-1500 2.83E+02 2.41 0 6.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -355 Cds-CsH_Cds-CtH CsJ-CtHH 300-1500 6.64E+03 2.41 0 7.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -356 Cds-CsH_Cds-CtH CsJ-CtCsH 300-1500 1.50E+03 2.41 0 7.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -357 Cds-CsH_Cds-CtH CsJ-CtCsCs 300-1500 3.82E+02 2.41 0 6.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -358 Cds-CsH_Cds-CtH CdsJ-H 300-1500 1.00E+04 2.41 0 0.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -359 Cds-CsH_Cds-CtH CdsJ-Cs 300-1500 5.32E+03 2.41 0 -0.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -360 Cds-CsH_Cds-CtH CbJ 300-1500 1.59E+04 2.41 0 -2.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -361 Cds-CsH_Cds-CtCs CsJ-HHH 300-1500 1.50E+04 2.41 0 3.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -362 Cds-CsH_Cds-CtCs CsJ-CsHH 300-1500 1.53E+03 2.41 0 3.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -363 Cds-CsH_Cds-CtCs CsJ-CsCsH 300-1500 1.22E+03 2.41 0 2.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -364 Cds-CsH_Cds-CtCs CsJ-CsCsCs 300-1500 9.06E+02 2.41 0 0.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -365 Cds-CsH_Cds-CtCs CsJ-CdHH 300-1500 1.59E+04 2.41 0 10.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -366 Cds-CsH_Cds-CtCs CsJ-CdCsH 300-1500 2.76E+03 2.41 0 9.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -367 Cds-CsH_Cds-CtCs CsJ-CdCsCs 300-1500 3.57E+02 2.41 0 8.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -368 Cds-CsH_Cds-CtCs CsJ-CdCdH 300-1500 5.57E+03 2.41 0 14.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -369 Cds-CsH_Cds-CtCs CsJ-CdCdCs 300-1500 1.90E+03 2.41 0 14.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -370 Cds-CsH_Cds-CtCs CsJ-CbHH 300-1500 7.35E+03 2.41 0 7.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -371 Cds-CsH_Cds-CtCs CsJ-CbCsH 300-1500 1.81E+03 2.41 0 7.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -372 Cds-CsH_Cds-CtCs CsJ-CbCsCs 300-1500 2.89E+02 2.41 0 6.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -373 Cds-CsH_Cds-CtCs CsJ-CtHH 300-1500 6.79E+03 2.41 0 7.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -374 Cds-CsH_Cds-CtCs CsJ-CtCsH 300-1500 1.53E+03 2.41 0 7.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -375 Cds-CsH_Cds-CtCs CsJ-CtCsCs 300-1500 3.91E+02 2.41 0 6.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -376 Cds-CsH_Cds-CtCs CdsJ-H 300-1500 1.03E+04 2.41 0 -0.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -377 Cds-CsH_Cds-CtCs CdsJ-Cs 300-1500 5.45E+03 2.41 0 -0.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -378 Cds-CsH_Cds-CtCs CbJ 300-1500 1.62E+04 2.41 0 -2.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -379 Cds-CsH_Ca CsJ-HHH 300-1500 1.08E+04 2.41 0 7.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -380 Cds-CsH_Ca CsJ-CsHH 300-1500 1.10E+03 2.41 0 7.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -381 Cds-CsH_Ca CsJ-CsCsH 300-1500 8.83E+02 2.41 0 5.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -382 Cds-CsH_Ca CsJ-CsCsCs 300-1500 6.54E+02 2.41 0 4.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -383 Cds-CsH_Ca CsJ-CdHH 300-1500 1.14E+04 2.41 0 13.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -384 Cds-CsH_Ca CsJ-CdCsH 300-1500 1.99E+03 2.41 0 13.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -385 Cds-CsH_Ca CsJ-CdCsCs 300-1500 2.58E+02 2.41 0 12.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -386 Cds-CsH_Ca CsJ-CdCdH 300-1500 4.02E+03 2.41 0 18.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -387 Cds-CsH_Ca CsJ-CdCdCs 300-1500 1.37E+03 2.41 0 18.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -388 Cds-CsH_Ca CsJ-CbHH 300-1500 5.30E+03 2.41 0 11.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -389 Cds-CsH_Ca CsJ-CbCsH 300-1500 1.30E+03 2.41 0 10.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -390 Cds-CsH_Ca CsJ-CbCsCs 300-1500 2.09E+02 2.41 0 10.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -391 Cds-CsH_Ca CsJ-CtHH 300-1500 4.90E+03 2.41 0 11.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -392 Cds-CsH_Ca CsJ-CtCsH 300-1500 1.11E+03 2.41 0 10.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -393 Cds-CsH_Ca CsJ-CtCsCs 300-1500 2.82E+02 2.41 0 10.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -394 Cds-CsH_Ca CdsJ-H 300-1500 7.42E+03 2.41 0 3.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -395 Cds-CsH_Ca CdsJ-Cs 300-1500 3.93E+03 2.41 0 3.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -396 Cds-CsH_Ca CbJ 300-1500 1.17E+04 2.41 0 1.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -397 Cds-CsCs_Cds-HH CsJ-HHH 300-1500 6.24E+03 2.41 0 8.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -398 Cds-CsCs_Cds-HH CsJ-CsHH 300-1500 6.34E+02 2.41 0 7.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -399 Cds-CsCs_Cds-HH CsJ-CsCsH 300-1500 5.08E+02 2.41 0 6.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -400 Cds-CsCs_Cds-HH CsJ-CsCsCs 300-1500 3.76E+02 2.41 0 4.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -401 Cds-CsCs_Cds-HH CsJ-CdHH 300-1500 6.58E+03 2.41 0 14.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -402 Cds-CsCs_Cds-HH CsJ-CdCsH 300-1500 1.15E+03 2.41 0 14.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -403 Cds-CsCs_Cds-HH CsJ-CdCsCs 300-1500 1.48E+02 2.41 0 13.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -404 Cds-CsCs_Cds-HH CsJ-CdCdH 300-1500 2.31E+03 2.41 0 18.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -405 Cds-CsCs_Cds-HH CsJ-CdCdCs 300-1500 7.89E+02 2.41 0 18.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -406 Cds-CsCs_Cds-HH CsJ-CbHH 300-1500 3.05E+03 2.41 0 12.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -407 Cds-CsCs_Cds-HH CsJ-CbCsH 300-1500 7.51E+02 2.41 0 11.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -408 Cds-CsCs_Cds-HH CsJ-CbCsCs 300-1500 1.20E+02 2.41 0 10.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -409 Cds-CsCs_Cds-HH CsJ-CtHH 300-1500 2.82E+03 2.41 0 11.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -410 Cds-CsCs_Cds-HH CsJ-CtCsH 300-1500 6.36E+02 2.41 0 11.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -411 Cds-CsCs_Cds-HH CsJ-CtCsCs 300-1500 1.62E+02 2.41 0 10.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -412 Cds-CsCs_Cds-HH CdsJ-H 300-1500 4.27E+03 2.41 0 4.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -413 Cds-CsCs_Cds-HH CdsJ-Cs 300-1500 2.26E+03 2.41 0 4.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -414 Cds-CsCs_Cds-HH CbJ 300-1500 6.74E+03 2.41 0 1.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -415 Cds-CsCs_Cds-CsH CsJ-HHH 300-1500 6.26E+03 2.41 0 7.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -416 Cds-CsCs_Cds-CsH CsJ-CsHH 300-1500 6.36E+02 2.41 0 7.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -417 Cds-CsCs_Cds-CsH CsJ-CsCsH 300-1500 5.10E+02 2.41 0 5.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -418 Cds-CsCs_Cds-CsH CsJ-CsCsCs 300-1500 3.78E+02 2.41 0 4.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -419 Cds-CsCs_Cds-CsH CsJ-CdHH 300-1500 6.61E+03 2.41 0 14.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -420 Cds-CsCs_Cds-CsH CsJ-CdCsH 300-1500 1.15E+03 2.41 0 13.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -421 Cds-CsCs_Cds-CsH CsJ-CdCsCs 300-1500 1.49E+02 2.41 0 12.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -422 Cds-CsCs_Cds-CsH CsJ-CdCdH 300-1500 2.32E+03 2.41 0 18.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -423 Cds-CsCs_Cds-CsH CsJ-CdCdCs 300-1500 7.93E+02 2.41 0 18.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -424 Cds-CsCs_Cds-CsH CsJ-CbHH 300-1500 3.07E+03 2.41 0 11.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -425 Cds-CsCs_Cds-CsH CsJ-CbCsH 300-1500 7.54E+02 2.41 0 10.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -426 Cds-CsCs_Cds-CsH CsJ-CbCsCs 300-1500 1.21E+02 2.41 0 10.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -427 Cds-CsCs_Cds-CsH CsJ-CtHH 300-1500 2.83E+03 2.41 0 11.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -428 Cds-CsCs_Cds-CsH CsJ-CtCsH 300-1500 6.39E+02 2.41 0 10.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -429 Cds-CsCs_Cds-CsH CsJ-CtCsCs 300-1500 1.63E+02 2.41 0 10.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -430 Cds-CsCs_Cds-CsH CdsJ-H 300-1500 4.29E+03 2.41 0 3.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -431 Cds-CsCs_Cds-CsH CdsJ-Cs 300-1500 2.27E+03 2.41 0 3.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -432 Cds-CsCs_Cds-CsH CbJ 300-1500 6.77E+03 2.41 0 1.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -433 Cds-CsCs_Cds-CsCs CsJ-HHH 300-1500 7.88E+03 2.41 0 7.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -434 Cds-CsCs_Cds-CsCs CsJ-CsHH 300-1500 8.01E+02 2.41 0 6.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -435 Cds-CsCs_Cds-CsCs CsJ-CsCsH 300-1500 6.42E+02 2.41 0 5.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -436 Cds-CsCs_Cds-CsCs CsJ-CsCsCs 300-1500 4.76E+02 2.41 0 4.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -437 Cds-CsCs_Cds-CsCs CsJ-CdHH 300-1500 8.32E+03 2.41 0 13.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -438 Cds-CsCs_Cds-CsCs CsJ-CdCsH 300-1500 1.45E+03 2.41 0 13.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -439 Cds-CsCs_Cds-CsCs CsJ-CdCsCs 300-1500 1.87E+02 2.41 0 12.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -440 Cds-CsCs_Cds-CsCs CsJ-CdCdH 300-1500 2.92E+03 2.41 0 18.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -441 Cds-CsCs_Cds-CsCs CsJ-CdCdCs 300-1500 9.97E+02 2.41 0 17.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -442 Cds-CsCs_Cds-CsCs CsJ-CbHH 300-1500 3.86E+03 2.41 0 11.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -443 Cds-CsCs_Cds-CsCs CsJ-CbCsH 300-1500 9.49E+02 2.41 0 10.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -444 Cds-CsCs_Cds-CsCs CsJ-CbCsCs 300-1500 1.52E+02 2.41 0 10.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -445 Cds-CsCs_Cds-CsCs CsJ-CtHH 300-1500 3.57E+03 2.41 0 11.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -446 Cds-CsCs_Cds-CsCs CsJ-CtCsH 300-1500 8.04E+02 2.41 0 10.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -447 Cds-CsCs_Cds-CsCs CsJ-CtCsCs 300-1500 2.05E+02 2.41 0 9.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -448 Cds-CsCs_Cds-CsCs CdsJ-H 300-1500 5.39E+03 2.41 0 3.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -449 Cds-CsCs_Cds-CsCs CdsJ-Cs 300-1500 2.86E+03 2.41 0 3.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -450 Cds-CsCs_Cds-CsCs CbJ 300-1500 8.52E+03 2.41 0 1.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -451 Cds-CsCs_Cds-CdH CsJ-HHH 300-1500 7.03E+03 2.41 0 4.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -452 Cds-CsCs_Cds-CdH CsJ-CsHH 300-1500 7.14E+02 2.41 0 4.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -453 Cds-CsCs_Cds-CdH CsJ-CsCsH 300-1500 5.73E+02 2.41 0 3.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -454 Cds-CsCs_Cds-CdH CsJ-CsCsCs 300-1500 4.25E+02 2.41 0 1.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -455 Cds-CsCs_Cds-CdH CsJ-CdHH 300-1500 7.42E+03 2.41 0 11.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -456 Cds-CsCs_Cds-CdH CsJ-CdCsH 300-1500 1.29E+03 2.41 0 10.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -457 Cds-CsCs_Cds-CdH CsJ-CdCsCs 300-1500 1.67E+02 2.41 0 10.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -458 Cds-CsCs_Cds-CdH CsJ-CdCdH 300-1500 2.61E+03 2.41 0 15.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -459 Cds-CsCs_Cds-CdH CsJ-CdCdCs 300-1500 8.90E+02 2.41 0 15.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -460 Cds-CsCs_Cds-CdH CsJ-CbHH 300-1500 3.44E+03 2.41 0 8.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -461 Cds-CsCs_Cds-CdH CsJ-CbCsH 300-1500 8.47E+02 2.41 0 8.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -462 Cds-CsCs_Cds-CdH CsJ-CbCsCs 300-1500 1.35E+02 2.41 0 7.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -463 Cds-CsCs_Cds-CdH CsJ-CtHH 300-1500 3.18E+03 2.41 0 8.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -464 Cds-CsCs_Cds-CdH CsJ-CtCsH 300-1500 7.17E+02 2.41 0 8.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -465 Cds-CsCs_Cds-CdH CsJ-CtCsCs 300-1500 1.83E+02 2.41 0 7.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -466 Cds-CsCs_Cds-CdH CdsJ-H 300-1500 4.81E+03 2.41 0 1.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -467 Cds-CsCs_Cds-CdH CdsJ-Cs 300-1500 2.55E+03 2.41 0 0.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -468 Cds-CsCs_Cds-CdH CbJ 300-1500 7.60E+03 2.41 0 -1.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -469 Cds-CsCs_Cds-CdCs CsJ-HHH 300-1500 7.98E+03 2.41 0 4.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -470 Cds-CsCs_Cds-CdCs CsJ-CsHH 300-1500 8.11E+02 2.41 0 3.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -471 Cds-CsCs_Cds-CdCs CsJ-CsCsH 300-1500 6.50E+02 2.41 0 2.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -472 Cds-CsCs_Cds-CdCs CsJ-CsCsCs 300-1500 4.82E+02 2.41 0 1.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -473 Cds-CsCs_Cds-CdCs CsJ-CdHH 300-1500 8.43E+03 2.41 0 10.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -474 Cds-CsCs_Cds-CdCs CsJ-CdCsH 300-1500 1.47E+03 2.41 0 10.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -475 Cds-CsCs_Cds-CdCs CsJ-CdCsCs 300-1500 1.90E+02 2.41 0 9.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -476 Cds-CsCs_Cds-CdCs CsJ-CdCdH 300-1500 2.96E+03 2.41 0 15.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -477 Cds-CsCs_Cds-CdCs CsJ-CdCdCs 300-1500 1.01E+03 2.41 0 15.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -478 Cds-CsCs_Cds-CdCs CsJ-CbHH 300-1500 3.91E+03 2.41 0 8.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -479 Cds-CsCs_Cds-CdCs CsJ-CbCsH 300-1500 9.61E+02 2.41 0 7.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -480 Cds-CsCs_Cds-CdCs CsJ-CbCsCs 300-1500 1.54E+02 2.41 0 7.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -481 Cds-CsCs_Cds-CdCs CsJ-CtHH 300-1500 3.61E+03 2.41 0 8.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -482 Cds-CsCs_Cds-CdCs CsJ-CtCsH 300-1500 8.14E+02 2.41 0 7.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -483 Cds-CsCs_Cds-CdCs CsJ-CtCsCs 300-1500 2.08E+02 2.41 0 7.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -484 Cds-CsCs_Cds-CdCs CdsJ-H 300-1500 5.46E+03 2.41 0 0.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -485 Cds-CsCs_Cds-CdCs CdsJ-Cs 300-1500 2.90E+03 2.41 0 0.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -486 Cds-CsCs_Cds-CdCs CbJ 300-1500 8.63E+03 2.41 0 -1.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -487 Cds-CsCs_Cds-CdCd CsJ-HHH 300-1500 2.43E+04 2.41 0 3.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -488 Cds-CsCs_Cds-CdCd CsJ-CsHH 300-1500 2.47E+03 2.41 0 3.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -489 Cds-CsCs_Cds-CdCd CsJ-CsCsH 300-1500 1.98E+03 2.41 0 1.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -490 Cds-CsCs_Cds-CdCd CsJ-CsCsCs 300-1500 1.47E+03 2.41 0 0.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -491 Cds-CsCs_Cds-CdCd CsJ-CdHH 300-1500 2.57E+04 2.41 0 9.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -492 Cds-CsCs_Cds-CdCd CsJ-CdCsH 300-1500 4.47E+03 2.41 0 9.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -493 Cds-CsCs_Cds-CdCd CsJ-CdCsCs 300-1500 5.78E+02 2.41 0 8.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -494 Cds-CsCs_Cds-CdCd CsJ-CdCdH 300-1500 9.02E+03 2.41 0 14.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -495 Cds-CsCs_Cds-CdCd CsJ-CdCdCs 300-1500 3.08E+03 2.41 0 14.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -496 Cds-CsCs_Cds-CdCd CsJ-CbHH 300-1500 1.19E+04 2.41 0 7.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -497 Cds-CsCs_Cds-CdCd CsJ-CbCsH 300-1500 2.93E+03 2.41 0 6.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -498 Cds-CsCs_Cds-CdCd CsJ-CbCsCs 300-1500 4.68E+02 2.41 0 6.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -499 Cds-CsCs_Cds-CdCd CsJ-CtHH 300-1500 1.10E+04 2.41 0 7.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -500 Cds-CsCs_Cds-CdCd CsJ-CtCsH 300-1500 2.48E+03 2.41 0 6.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -501 Cds-CsCs_Cds-CdCd CsJ-CtCsCs 300-1500 6.33E+02 2.41 0 6.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -502 Cds-CsCs_Cds-CdCd CdsJ-H 300-1500 1.66E+04 2.41 0 -0.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -503 Cds-CsCs_Cds-CdCd CdsJ-Cs 300-1500 8.83E+03 2.41 0 -0.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -504 Cds-CsCs_Cds-CdCd CbJ 300-1500 2.63E+04 2.41 0 -2.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -505 Cds-CsCs_Cds-CbH CsJ-HHH 300-1500 2.30E+03 2.41 0 6.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -506 Cds-CsCs_Cds-CbH CsJ-CsHH 300-1500 2.33E+02 2.41 0 6.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -507 Cds-CsCs_Cds-CbH CsJ-CsCsH 300-1500 1.87E+02 2.41 0 4.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -508 Cds-CsCs_Cds-CbH CsJ-CsCsCs 300-1500 1.39E+02 2.41 0 3.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -509 Cds-CsCs_Cds-CbH CsJ-CdHH 300-1500 2.42E+03 2.41 0 12.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -510 Cds-CsCs_Cds-CbH CsJ-CdCsH 300-1500 4.22E+02 2.41 0 12.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -511 Cds-CsCs_Cds-CbH CsJ-CdCsCs 300-1500 5.46E+01 2.41 0 11.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -512 Cds-CsCs_Cds-CbH CsJ-CdCdH 300-1500 8.51E+02 2.41 0 17.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -513 Cds-CsCs_Cds-CbH CsJ-CdCdCs 300-1500 2.91E+02 2.41 0 17.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -514 Cds-CsCs_Cds-CbH CsJ-CbHH 300-1500 1.12E+03 2.41 0 10.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -515 Cds-CsCs_Cds-CbH CsJ-CbCsH 300-1500 2.76E+02 2.41 0 9.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -516 Cds-CsCs_Cds-CbH CsJ-CbCsCs 300-1500 4.42E+01 2.41 0 9.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -517 Cds-CsCs_Cds-CbH CsJ-CtHH 300-1500 1.04E+03 2.41 0 10.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -518 Cds-CsCs_Cds-CbH CsJ-CtCsH 300-1500 2.34E+02 2.41 0 9.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -519 Cds-CsCs_Cds-CbH CsJ-CtCsCs 300-1500 5.97E+01 2.41 0 9.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -520 Cds-CsCs_Cds-CbH CdsJ-H 300-1500 1.57E+03 2.41 0 2.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -521 Cds-CsCs_Cds-CbH CdsJ-Cs 300-1500 8.33E+02 2.41 0 2.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -522 Cds-CsCs_Cds-CbH CbJ 300-1500 2.48E+03 2.41 0 0.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -523 Cds-CsCs_Cds-CbCs CsJ-HHH 300-1500 4.87E+03 2.41 0 6.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -524 Cds-CsCs_Cds-CbCs CsJ-CsHH 300-1500 4.95E+02 2.41 0 5.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -525 Cds-CsCs_Cds-CbCs CsJ-CsCsH 300-1500 3.97E+02 2.41 0 4.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -526 Cds-CsCs_Cds-CbCs CsJ-CsCsCs 300-1500 2.94E+02 2.41 0 3.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -527 Cds-CsCs_Cds-CbCs CsJ-CdHH 300-1500 5.14E+03 2.41 0 12.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -528 Cds-CsCs_Cds-CbCs CsJ-CdCsH 300-1500 8.95E+02 2.41 0 12.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -529 Cds-CsCs_Cds-CbCs CsJ-CdCsCs 300-1500 1.16E+02 2.41 0 11.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -530 Cds-CsCs_Cds-CbCs CsJ-CdCdH 300-1500 1.80E+03 2.41 0 17.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -531 Cds-CsCs_Cds-CbCs CsJ-CdCdCs 300-1500 6.16E+02 2.41 0 17.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -532 Cds-CsCs_Cds-CbCs CsJ-CbHH 300-1500 2.38E+03 2.41 0 10.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -533 Cds-CsCs_Cds-CbCs CsJ-CbCsH 300-1500 5.86E+02 2.41 0 9.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -534 Cds-CsCs_Cds-CbCs CsJ-CbCsCs 300-1500 9.38E+01 2.41 0 9.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -535 Cds-CsCs_Cds-CbCs CsJ-CtHH 300-1500 2.20E+03 2.41 0 10.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -536 Cds-CsCs_Cds-CbCs CsJ-CtCsH 300-1500 4.97E+02 2.41 0 9.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -537 Cds-CsCs_Cds-CbCs CsJ-CtCsCs 300-1500 1.27E+02 2.41 0 9.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -538 Cds-CsCs_Cds-CbCs CdsJ-H 300-1500 3.33E+03 2.41 0 2.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -539 Cds-CsCs_Cds-CbCs CdsJ-Cs 300-1500 1.77E+03 2.41 0 2.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -540 Cds-CsCs_Cds-CbCs CbJ 300-1500 5.26E+03 2.41 0 0.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -541 Cds-CsCs_Cds-CtH CsJ-HHH 300-1500 9.12E+03 2.41 0 4.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -542 Cds-CsCs_Cds-CtH CsJ-CsHH 300-1500 9.26E+02 2.41 0 4.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -543 Cds-CsCs_Cds-CtH CsJ-CsCsH 300-1500 7.43E+02 2.41 0 3.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -544 Cds-CsCs_Cds-CtH CsJ-CsCsCs 300-1500 5.50E+02 2.41 0 1.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -545 Cds-CsCs_Cds-CtH CsJ-CdHH 300-1500 9.62E+03 2.41 0 11.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -546 Cds-CsCs_Cds-CtH CsJ-CdCsH 300-1500 1.68E+03 2.41 0 10.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -547 Cds-CsCs_Cds-CtH CsJ-CdCsCs 300-1500 2.17E+02 2.41 0 9.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -548 Cds-CsCs_Cds-CtH CsJ-CdCdH 300-1500 3.38E+03 2.41 0 15.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -549 Cds-CsCs_Cds-CtH CsJ-CdCdCs 300-1500 1.15E+03 2.41 0 15.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -550 Cds-CsCs_Cds-CtH CsJ-CbHH 300-1500 4.46E+03 2.41 0 8.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -551 Cds-CsCs_Cds-CtH CsJ-CbCsH 300-1500 1.10E+03 2.41 0 8.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -552 Cds-CsCs_Cds-CtH CsJ-CbCsCs 300-1500 1.76E+02 2.41 0 7.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -553 Cds-CsCs_Cds-CtH CsJ-CtHH 300-1500 4.12E+03 2.41 0 8.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -554 Cds-CsCs_Cds-CtH CsJ-CtCsH 300-1500 9.30E+02 2.41 0 8.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -555 Cds-CsCs_Cds-CtH CsJ-CtCsCs 300-1500 2.37E+02 2.41 0 7.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -556 Cds-CsCs_Cds-CtH CdsJ-H 300-1500 6.24E+03 2.41 0 0.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -557 Cds-CsCs_Cds-CtH CdsJ-Cs 300-1500 3.31E+03 2.41 0 0.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -558 Cds-CsCs_Cds-CtH CbJ 300-1500 9.86E+03 2.41 0 -1.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -559 Cds-CsCs_Cds-CtCs CsJ-HHH 300-1500 9.33E+03 2.41 0 4.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -560 Cds-CsCs_Cds-CtCs CsJ-CsHH 300-1500 9.48E+02 2.41 0 4.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -561 Cds-CsCs_Cds-CtCs CsJ-CsCsH 300-1500 7.61E+02 2.41 0 2.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -562 Cds-CsCs_Cds-CtCs CsJ-CsCsCs 300-1500 5.63E+02 2.41 0 1.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -563 Cds-CsCs_Cds-CtCs CsJ-CdHH 300-1500 9.85E+03 2.41 0 10.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -564 Cds-CsCs_Cds-CtCs CsJ-CdCsH 300-1500 1.72E+03 2.41 0 10.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -565 Cds-CsCs_Cds-CtCs CsJ-CdCsCs 300-1500 2.22E+02 2.41 0 9.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -566 Cds-CsCs_Cds-CtCs CsJ-CdCdH 300-1500 3.46E+03 2.41 0 15.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -567 Cds-CsCs_Cds-CtCs CsJ-CdCdCs 300-1500 1.18E+03 2.41 0 15.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -568 Cds-CsCs_Cds-CtCs CsJ-CbHH 300-1500 4.57E+03 2.41 0 8.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -569 Cds-CsCs_Cds-CtCs CsJ-CbCsH 300-1500 1.12E+03 2.41 0 7.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -570 Cds-CsCs_Cds-CtCs CsJ-CbCsCs 300-1500 1.80E+02 2.41 0 7.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -571 Cds-CsCs_Cds-CtCs CsJ-CtHH 300-1500 4.22E+03 2.41 0 8.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -572 Cds-CsCs_Cds-CtCs CsJ-CtCsH 300-1500 9.52E+02 2.41 0 7.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -573 Cds-CsCs_Cds-CtCs CsJ-CtCsCs 300-1500 2.43E+02 2.41 0 7.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -574 Cds-CsCs_Cds-CtCs CdsJ-H 300-1500 6.39E+03 2.41 0 0.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -575 Cds-CsCs_Cds-CtCs CdsJ-Cs 300-1500 3.39E+03 2.41 0 0.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -576 Cds-CsCs_Cds-CtCs CbJ 300-1500 1.01E+04 2.41 0 -1.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -577 Cds-CsCs_Ca CsJ-HHH 300-1500 6.74E+03 2.41 0 8.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -578 Cds-CsCs_Ca CsJ-CsHH 300-1500 6.84E+02 2.41 0 8.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -579 Cds-CsCs_Ca CsJ-CsCsH 300-1500 5.49E+02 2.41 0 6.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -580 Cds-CsCs_Ca CsJ-CsCsCs 300-1500 4.07E+02 2.41 0 5.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -581 Cds-CsCs_Ca CsJ-CdHH 300-1500 7.11E+03 2.41 0 14.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -582 Cds-CsCs_Ca CsJ-CdCsH 300-1500 1.24E+03 2.41 0 14.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -583 Cds-CsCs_Ca CsJ-CdCsCs 300-1500 1.60E+02 2.41 0 13.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -584 Cds-CsCs_Ca CsJ-CdCdH 300-1500 2.50E+03 2.41 0 19.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -585 Cds-CsCs_Ca CsJ-CdCdCs 300-1500 8.52E+02 2.41 0 19.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -586 Cds-CsCs_Ca CsJ-CbHH 300-1500 3.30E+03 2.41 0 12.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -587 Cds-CsCs_Ca CsJ-CbCsH 300-1500 8.11E+02 2.41 0 11.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -588 Cds-CsCs_Ca CsJ-CbCsCs 300-1500 1.30E+02 2.41 0 11.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -589 Cds-CsCs_Ca CsJ-CtHH 300-1500 3.05E+03 2.41 0 12.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -590 Cds-CsCs_Ca CsJ-CtCsH 300-1500 6.87E+02 2.41 0 11.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -591 Cds-CsCs_Ca CsJ-CtCsCs 300-1500 1.75E+02 2.41 0 11.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -592 Cds-CsCs_Ca CdsJ-H 300-1500 4.61E+03 2.41 0 4.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -593 Cds-CsCs_Ca CdsJ-Cs 300-1500 2.44E+03 2.41 0 4.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -594 Cds-CsCs_Ca CbJ 300-1500 7.28E+03 2.41 0 2.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -595 Cds-CdH_Cds-HH CsJ-HHH 300-1500 1.32E+04 2.41 0 7.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -596 Cds-CdH_Cds-HH CsJ-CsHH 300-1500 1.34E+03 2.41 0 6.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -597 Cds-CdH_Cds-HH CsJ-CsCsH 300-1500 1.08E+03 2.41 0 5.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -598 Cds-CdH_Cds-HH CsJ-CsCsCs 300-1500 7.98E+02 2.41 0 3.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -599 Cds-CdH_Cds-HH CsJ-CdHH 300-1500 1.40E+04 2.41 0 13.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -600 Cds-CdH_Cds-HH CsJ-CdCsH 300-1500 2.43E+03 2.41 0 13.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -601 Cds-CdH_Cds-HH CsJ-CdCsCs 300-1500 3.14E+02 2.41 0 12.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -602 Cds-CdH_Cds-HH CsJ-CdCdH 300-1500 4.90E+03 2.41 0 17.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -603 Cds-CdH_Cds-HH CsJ-CdCdCs 300-1500 1.67E+03 2.41 0 17.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -604 Cds-CdH_Cds-HH CsJ-CbHH 300-1500 6.47E+03 2.41 0 11.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -605 Cds-CdH_Cds-HH CsJ-CbCsH 300-1500 1.59E+03 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -606 Cds-CdH_Cds-HH CsJ-CbCsCs 300-1500 2.55E+02 2.41 0 9.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -607 Cds-CdH_Cds-HH CsJ-CtHH 300-1500 5.98E+03 2.41 0 10.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -608 Cds-CdH_Cds-HH CsJ-CtCsH 300-1500 1.35E+03 2.41 0 10.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -609 Cds-CdH_Cds-HH CsJ-CtCsCs 300-1500 3.44E+02 2.41 0 9.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -610 Cds-CdH_Cds-HH CdsJ-H 300-1500 9.05E+03 2.41 0 3.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -611 Cds-CdH_Cds-HH CdsJ-Cs 300-1500 4.80E+03 2.41 0 3.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -612 Cds-CdH_Cds-HH CbJ 300-1500 1.43E+04 2.41 0 0.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -613 Cds-CdH_Cds-CsH CsJ-HHH 300-1500 1.33E+04 2.41 0 6.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -614 Cds-CdH_Cds-CsH CsJ-CsHH 300-1500 1.35E+03 2.41 0 6.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -615 Cds-CdH_Cds-CsH CsJ-CsCsH 300-1500 1.08E+03 2.41 0 4.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -616 Cds-CdH_Cds-CsH CsJ-CsCsCs 300-1500 8.01E+02 2.41 0 3.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -617 Cds-CdH_Cds-CsH CsJ-CdHH 300-1500 1.40E+04 2.41 0 13.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -618 Cds-CdH_Cds-CsH CsJ-CdCsH 300-1500 2.44E+03 2.41 0 12.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -619 Cds-CdH_Cds-CsH CsJ-CdCsCs 300-1500 3.16E+02 2.41 0 11.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -620 Cds-CdH_Cds-CsH CsJ-CdCdH 300-1500 4.92E+03 2.41 0 17.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -621 Cds-CdH_Cds-CsH CsJ-CdCdCs 300-1500 1.68E+03 2.41 0 17.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -622 Cds-CdH_Cds-CsH CsJ-CbHH 300-1500 6.50E+03 2.41 0 10.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -623 Cds-CdH_Cds-CsH CsJ-CbCsH 300-1500 1.60E+03 2.41 0 10.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -624 Cds-CdH_Cds-CsH CsJ-CbCsCs 300-1500 2.56E+02 2.41 0 9.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -625 Cds-CdH_Cds-CsH CsJ-CtHH 300-1500 6.01E+03 2.41 0 10.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -626 Cds-CdH_Cds-CsH CsJ-CtCsH 300-1500 1.35E+03 2.41 0 10.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -627 Cds-CdH_Cds-CsH CsJ-CtCsCs 300-1500 3.46E+02 2.41 0 9.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -628 Cds-CdH_Cds-CsH CdsJ-H 300-1500 9.09E+03 2.41 0 2.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -629 Cds-CdH_Cds-CsH CdsJ-Cs 300-1500 4.82E+03 2.41 0 2.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -630 Cds-CdH_Cds-CsH CbJ 300-1500 1.44E+04 2.41 0 0.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -631 Cds-CdH_Cds-CsCs CsJ-HHH 300-1500 1.67E+04 2.41 0 6.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -632 Cds-CdH_Cds-CsCs CsJ-CsHH 300-1500 1.70E+03 2.41 0 5.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -633 Cds-CdH_Cds-CsCs CsJ-CsCsH 300-1500 1.36E+03 2.41 0 4.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -634 Cds-CdH_Cds-CsCs CsJ-CsCsCs 300-1500 1.01E+03 2.41 0 3.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -635 Cds-CdH_Cds-CsCs CsJ-CdHH 300-1500 1.76E+04 2.41 0 12.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -636 Cds-CdH_Cds-CsCs CsJ-CdCsH 300-1500 3.07E+03 2.41 0 12.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -637 Cds-CdH_Cds-CsCs CsJ-CdCsCs 300-1500 3.97E+02 2.41 0 11.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -638 Cds-CdH_Cds-CsCs CsJ-CdCdH 300-1500 6.19E+03 2.41 0 17.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -639 Cds-CdH_Cds-CsCs CsJ-CdCdCs 300-1500 2.11E+03 2.41 0 17.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -640 Cds-CdH_Cds-CsCs CsJ-CbHH 300-1500 8.18E+03 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -641 Cds-CdH_Cds-CsCs CsJ-CbCsH 300-1500 2.01E+03 2.41 0 9.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -642 Cds-CdH_Cds-CsCs CsJ-CbCsCs 300-1500 3.22E+02 2.41 0 9.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -643 Cds-CdH_Cds-CsCs CsJ-CtHH 300-1500 7.56E+03 2.41 0 10.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -644 Cds-CdH_Cds-CsCs CsJ-CtCsH 300-1500 1.70E+03 2.41 0 9.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -645 Cds-CdH_Cds-CsCs CsJ-CtCsCs 300-1500 4.35E+02 2.41 0 8.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -646 Cds-CdH_Cds-CsCs CdsJ-H 300-1500 1.14E+04 2.41 0 2.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -647 Cds-CdH_Cds-CsCs CdsJ-Cs 300-1500 6.06E+03 2.41 0 2.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -648 Cds-CdH_Cds-CsCs CbJ 300-1500 1.81E+04 2.41 0 0.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -649 Cds-CdH_Cds-CdH CsJ-HHH 300-1500 1.49E+04 2.41 0 3.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -650 Cds-CdH_Cds-CdH CsJ-CsHH 300-1500 1.51E+03 2.41 0 3.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -651 Cds-CdH_Cds-CdH CsJ-CsCsH 300-1500 1.21E+03 2.41 0 2.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -652 Cds-CdH_Cds-CdH CsJ-CsCsCs 300-1500 9.00E+02 2.41 0 0.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -653 Cds-CdH_Cds-CdH CsJ-CdHH 300-1500 1.57E+04 2.41 0 10.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -654 Cds-CdH_Cds-CdH CsJ-CdCsH 300-1500 2.74E+03 2.41 0 10.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -655 Cds-CdH_Cds-CdH CsJ-CdCsCs 300-1500 3.54E+02 2.41 0 9.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -656 Cds-CdH_Cds-CdH CsJ-CdCdH 300-1500 5.53E+03 2.41 0 14.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -657 Cds-CdH_Cds-CdH CsJ-CdCdCs 300-1500 1.89E+03 2.41 0 14.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -658 Cds-CdH_Cds-CdH CsJ-CbHH 300-1500 7.30E+03 2.41 0 7.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -659 Cds-CdH_Cds-CdH CsJ-CbCsH 300-1500 1.79E+03 2.41 0 7.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -660 Cds-CdH_Cds-CdH CsJ-CbCsCs 300-1500 2.87E+02 2.41 0 6.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -661 Cds-CdH_Cds-CdH CsJ-CtHH 300-1500 6.75E+03 2.41 0 7.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -662 Cds-CdH_Cds-CdH CsJ-CtCsH 300-1500 1.52E+03 2.41 0 7.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -663 Cds-CdH_Cds-CdH CsJ-CtCsCs 300-1500 3.88E+02 2.41 0 6.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -664 Cds-CdH_Cds-CdH CdsJ-H 300-1500 1.02E+04 2.41 0 0.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -665 Cds-CdH_Cds-CdH CdsJ-Cs 300-1500 5.41E+03 2.41 0 -0.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -666 Cds-CdH_Cds-CdH CbJ 300-1500 1.61E+04 2.41 0 -2.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -667 Cds-CdH_Cds-CdCs CsJ-HHH 300-1500 1.69E+04 2.41 0 3.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -668 Cds-CdH_Cds-CdCs CsJ-CsHH 300-1500 1.72E+03 2.41 0 2.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -669 Cds-CdH_Cds-CdCs CsJ-CsCsH 300-1500 1.38E+03 2.41 0 1.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -670 Cds-CdH_Cds-CdCs CsJ-CsCsCs 300-1500 1.02E+03 2.41 0 0.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -671 Cds-CdH_Cds-CdCs CsJ-CdHH 300-1500 1.79E+04 2.41 0 9.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -672 Cds-CdH_Cds-CdCs CsJ-CdCsH 300-1500 3.11E+03 2.41 0 9.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -673 Cds-CdH_Cds-CdCs CsJ-CdCsCs 300-1500 4.02E+02 2.41 0 8.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -674 Cds-CdH_Cds-CdCs CsJ-CdCdH 300-1500 6.27E+03 2.41 0 14.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -675 Cds-CdH_Cds-CdCs CsJ-CdCdCs 300-1500 2.14E+03 2.41 0 14.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -676 Cds-CdH_Cds-CdCs CsJ-CbHH 300-1500 8.28E+03 2.41 0 7.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -677 Cds-CdH_Cds-CdCs CsJ-CbCsH 300-1500 2.04E+03 2.41 0 6.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -678 Cds-CdH_Cds-CdCs CsJ-CbCsCs 300-1500 3.26E+02 2.41 0 6.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -679 Cds-CdH_Cds-CdCs CsJ-CtHH 300-1500 7.66E+03 2.41 0 7.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -680 Cds-CdH_Cds-CdCs CsJ-CtCsH 300-1500 1.73E+03 2.41 0 6.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -681 Cds-CdH_Cds-CdCs CsJ-CtCsCs 300-1500 4.40E+02 2.41 0 6.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -682 Cds-CdH_Cds-CdCs CdsJ-H 300-1500 1.16E+04 2.41 0 -0.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -683 Cds-CdH_Cds-CdCs CdsJ-Cs 300-1500 6.14E+03 2.41 0 -0.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -684 Cds-CdH_Cds-CdCs CbJ 300-1500 1.83E+04 2.41 0 -2.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -685 Cds-CdH_Cds-CdCd CsJ-HHH 300-1500 5.16E+04 2.41 0 2.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -686 Cds-CdH_Cds-CdCd CsJ-CsHH 300-1500 5.24E+03 2.41 0 2.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -687 Cds-CdH_Cds-CdCd CsJ-CsCsH 300-1500 4.20E+03 2.41 0 0.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -688 Cds-CdH_Cds-CdCd CsJ-CsCsCs 300-1500 3.11E+03 2.41 0 -0.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -689 Cds-CdH_Cds-CdCd CsJ-CdHH 300-1500 5.44E+04 2.41 0 8.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -690 Cds-CdH_Cds-CdCd CsJ-CdCsH 300-1500 9.48E+03 2.41 0 8.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -691 Cds-CdH_Cds-CdCd CsJ-CdCsCs 300-1500 1.23E+03 2.41 0 7.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -692 Cds-CdH_Cds-CdCd CsJ-CdCdH 300-1500 1.91E+04 2.41 0 13.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -693 Cds-CdH_Cds-CdCd CsJ-CdCdCs 300-1500 6.53E+03 2.41 0 13.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -694 Cds-CdH_Cds-CdCd CsJ-CbHH 300-1500 2.52E+04 2.41 0 6.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -695 Cds-CdH_Cds-CdCd CsJ-CbCsH 300-1500 6.21E+03 2.41 0 5.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -696 Cds-CdH_Cds-CdCd CsJ-CbCsCs 300-1500 9.93E+02 2.41 0 5.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -697 Cds-CdH_Cds-CdCd CsJ-CtHH 300-1500 2.33E+04 2.41 0 6.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -698 Cds-CdH_Cds-CdCd CsJ-CtCsH 300-1500 5.26E+03 2.41 0 5.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -699 Cds-CdH_Cds-CdCd CsJ-CtCsCs 300-1500 1.34E+03 2.41 0 5.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -700 Cds-CdH_Cds-CdCd CdsJ-H 300-1500 3.53E+04 2.41 0 -1.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -701 Cds-CdH_Cds-CdCd CdsJ-Cs 300-1500 1.87E+04 2.41 0 -1.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -702 Cds-CdH_Cds-CdCd CbJ 300-1500 5.57E+04 2.41 0 -3.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -703 Cds-CdH_Cds-CbH CsJ-HHH 300-1500 4.87E+03 2.41 0 5.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -704 Cds-CdH_Cds-CbH CsJ-CsHH 300-1500 4.94E+02 2.41 0 5.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -705 Cds-CdH_Cds-CbH CsJ-CsCsH 300-1500 3.97E+02 2.41 0 3.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -706 Cds-CdH_Cds-CbH CsJ-CsCsCs 300-1500 2.94E+02 2.41 0 2.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -707 Cds-CdH_Cds-CbH CsJ-CdHH 300-1500 5.14E+03 2.41 0 12.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -708 Cds-CdH_Cds-CbH CsJ-CdCsH 300-1500 8.95E+02 2.41 0 11.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -709 Cds-CdH_Cds-CbH CsJ-CdCsCs 300-1500 1.16E+02 2.41 0 10.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -710 Cds-CdH_Cds-CbH CsJ-CdCdH 300-1500 1.80E+03 2.41 0 16.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -711 Cds-CdH_Cds-CbH CsJ-CdCdCs 300-1500 6.16E+02 2.41 0 16.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -712 Cds-CdH_Cds-CbH CsJ-CbHH 300-1500 2.38E+03 2.41 0 9.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -713 Cds-CdH_Cds-CbH CsJ-CbCsH 300-1500 5.86E+02 2.41 0 8.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -714 Cds-CdH_Cds-CbH CsJ-CbCsCs 300-1500 9.37E+01 2.41 0 8.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -715 Cds-CdH_Cds-CbH CsJ-CtHH 300-1500 2.20E+03 2.41 0 9.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -716 Cds-CdH_Cds-CbH CsJ-CtCsH 300-1500 4.96E+02 2.41 0 8.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -717 Cds-CdH_Cds-CbH CsJ-CtCsCs 300-1500 1.27E+02 2.41 0 8.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -718 Cds-CdH_Cds-CbH CdsJ-H 300-1500 3.33E+03 2.41 0 1.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -719 Cds-CdH_Cds-CbH CdsJ-Cs 300-1500 1.77E+03 2.41 0 1.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -720 Cds-CdH_Cds-CbH CbJ 300-1500 5.26E+03 2.41 0 -0.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -721 Cds-CdH_Cds-CbCs CsJ-HHH 300-1500 1.03E+04 2.41 0 5.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -722 Cds-CdH_Cds-CbCs CsJ-CsHH 300-1500 1.05E+03 2.41 0 4.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -723 Cds-CdH_Cds-CbCs CsJ-CsCsH 300-1500 8.41E+02 2.41 0 3.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -724 Cds-CdH_Cds-CbCs CsJ-CsCsCs 300-1500 6.23E+02 2.41 0 2.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -725 Cds-CdH_Cds-CbCs CsJ-CdHH 300-1500 1.09E+04 2.41 0 11.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -726 Cds-CdH_Cds-CbCs CsJ-CdCsH 300-1500 1.90E+03 2.41 0 11.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -727 Cds-CdH_Cds-CbCs CsJ-CdCsCs 300-1500 2.45E+02 2.41 0 10.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -728 Cds-CdH_Cds-CbCs CsJ-CdCdH 300-1500 3.83E+03 2.41 0 16.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -729 Cds-CdH_Cds-CbCs CsJ-CdCdCs 300-1500 1.31E+03 2.41 0 16.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -730 Cds-CdH_Cds-CbCs CsJ-CbHH 300-1500 5.05E+03 2.41 0 9.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -731 Cds-CdH_Cds-CbCs CsJ-CbCsH 300-1500 1.24E+03 2.41 0 8.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -732 Cds-CdH_Cds-CbCs CsJ-CbCsCs 300-1500 1.99E+02 2.41 0 8.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -733 Cds-CdH_Cds-CbCs CsJ-CtHH 300-1500 4.67E+03 2.41 0 9.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -734 Cds-CdH_Cds-CbCs CsJ-CtCsH 300-1500 1.05E+03 2.41 0 8.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -735 Cds-CdH_Cds-CbCs CsJ-CtCsCs 300-1500 2.69E+02 2.41 0 8.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -736 Cds-CdH_Cds-CbCs CdsJ-H 300-1500 7.06E+03 2.41 0 1.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -737 Cds-CdH_Cds-CbCs CdsJ-Cs 300-1500 3.74E+03 2.41 0 1.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -738 Cds-CdH_Cds-CbCs CbJ 300-1500 1.12E+04 2.41 0 -0.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -739 Cds-CdH_Cds-CtH CsJ-HHH 300-1500 1.93E+04 2.41 0 3.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -740 Cds-CdH_Cds-CtH CsJ-CsHH 300-1500 1.96E+03 2.41 0 3.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -741 Cds-CdH_Cds-CtH CsJ-CsCsH 300-1500 1.57E+03 2.41 0 2.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -742 Cds-CdH_Cds-CtH CsJ-CsCsCs 300-1500 1.17E+03 2.41 0 0.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -743 Cds-CdH_Cds-CtH CsJ-CdHH 300-1500 2.04E+04 2.41 0 10.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -744 Cds-CdH_Cds-CtH CsJ-CdCsH 300-1500 3.55E+03 2.41 0 9.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -745 Cds-CdH_Cds-CtH CsJ-CdCsCs 300-1500 4.60E+02 2.41 0 8.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -746 Cds-CdH_Cds-CtH CsJ-CdCdH 300-1500 7.16E+03 2.41 0 14.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -747 Cds-CdH_Cds-CtH CsJ-CdCdCs 300-1500 2.45E+03 2.41 0 14.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -748 Cds-CdH_Cds-CtH CsJ-CbHH 300-1500 9.46E+03 2.41 0 7.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -749 Cds-CdH_Cds-CtH CsJ-CbCsH 300-1500 2.33E+03 2.41 0 7.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -750 Cds-CdH_Cds-CtH CsJ-CbCsCs 300-1500 3.72E+02 2.41 0 6.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -751 Cds-CdH_Cds-CtH CsJ-CtHH 300-1500 8.74E+03 2.41 0 7.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -752 Cds-CdH_Cds-CtH CsJ-CtCsH 300-1500 1.97E+03 2.41 0 7.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -753 Cds-CdH_Cds-CtH CsJ-CtCsCs 300-1500 5.03E+02 2.41 0 6.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -754 Cds-CdH_Cds-CtH CdsJ-H 300-1500 1.32E+04 2.41 0 -0.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -755 Cds-CdH_Cds-CtH CdsJ-Cs 300-1500 7.01E+03 2.41 0 -0.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -756 Cds-CdH_Cds-CtH CbJ 300-1500 2.09E+04 2.41 0 -2.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -757 Cds-CdH_Cds-CtCs CsJ-HHH 300-1500 1.98E+04 2.41 0 3.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -758 Cds-CdH_Cds-CtCs CsJ-CsHH 300-1500 2.01E+03 2.41 0 3.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -759 Cds-CdH_Cds-CtCs CsJ-CsCsH 300-1500 1.61E+03 2.41 0 1.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -760 Cds-CdH_Cds-CtCs CsJ-CsCsCs 300-1500 1.19E+03 2.41 0 0.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -761 Cds-CdH_Cds-CtCs CsJ-CdHH 300-1500 2.09E+04 2.41 0 10.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -762 Cds-CdH_Cds-CtCs CsJ-CdCsH 300-1500 3.64E+03 2.41 0 9.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -763 Cds-CdH_Cds-CtCs CsJ-CdCsCs 300-1500 4.70E+02 2.41 0 8.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -764 Cds-CdH_Cds-CtCs CsJ-CdCdH 300-1500 7.33E+03 2.41 0 14.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -765 Cds-CdH_Cds-CtCs CsJ-CdCdCs 300-1500 2.50E+03 2.41 0 14.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -766 Cds-CdH_Cds-CtCs CsJ-CbHH 300-1500 9.68E+03 2.41 0 7.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -767 Cds-CdH_Cds-CtCs CsJ-CbCsH 300-1500 2.38E+03 2.41 0 6.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -768 Cds-CdH_Cds-CtCs CsJ-CbCsCs 300-1500 3.81E+02 2.41 0 6.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -769 Cds-CdH_Cds-CtCs CsJ-CtHH 300-1500 8.95E+03 2.41 0 7.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -770 Cds-CdH_Cds-CtCs CsJ-CtCsH 300-1500 2.02E+03 2.41 0 6.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -771 Cds-CdH_Cds-CtCs CsJ-CtCsCs 300-1500 5.15E+02 2.41 0 6.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -772 Cds-CdH_Cds-CtCs CdsJ-H 300-1500 1.35E+04 2.41 0 -0.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -773 Cds-CdH_Cds-CtCs CdsJ-Cs 300-1500 7.18E+03 2.41 0 -0.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -774 Cds-CdH_Cds-CtCs CbJ 300-1500 2.14E+04 2.41 0 -2.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -775 Cds-CdH_Ca CsJ-HHH 300-1500 1.43E+04 2.41 0 7.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -776 Cds-CdH_Ca CsJ-CsHH 300-1500 1.45E+03 2.41 0 7.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -777 Cds-CdH_Ca CsJ-CsCsH 300-1500 1.16E+03 2.41 0 5.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -778 Cds-CdH_Ca CsJ-CsCsCs 300-1500 8.62E+02 2.41 0 4.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -779 Cds-CdH_Ca CsJ-CdHH 300-1500 1.51E+04 2.41 0 13.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -780 Cds-CdH_Ca CsJ-CdCsH 300-1500 2.63E+03 2.41 0 13.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -781 Cds-CdH_Ca CsJ-CdCsCs 300-1500 3.39E+02 2.41 0 12.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -782 Cds-CdH_Ca CsJ-CdCdH 300-1500 5.29E+03 2.41 0 18.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -783 Cds-CdH_Ca CsJ-CdCdCs 300-1500 1.81E+03 2.41 0 18.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -784 Cds-CdH_Ca CsJ-CbHH 300-1500 6.99E+03 2.41 0 11.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -785 Cds-CdH_Ca CsJ-CbCsH 300-1500 1.72E+03 2.41 0 10.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -786 Cds-CdH_Ca CsJ-CbCsCs 300-1500 2.75E+02 2.41 0 10.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -787 Cds-CdH_Ca CsJ-CtHH 300-1500 6.46E+03 2.41 0 11.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -788 Cds-CdH_Ca CsJ-CtCsH 300-1500 1.46E+03 2.41 0 10.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -789 Cds-CdH_Ca CsJ-CtCsCs 300-1500 3.72E+02 2.41 0 10.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -790 Cds-CdH_Ca CdsJ-H 300-1500 9.77E+03 2.41 0 3.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -791 Cds-CdH_Ca CdsJ-Cs 300-1500 5.18E+03 2.41 0 3.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -792 Cds-CdH_Ca CbJ 300-1500 1.54E+04 2.41 0 1.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -793 Cds-CdCs_Cds-HH CsJ-HHH 300-1500 6.64E+03 2.41 0 8.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -794 Cds-CdCs_Cds-HH CsJ-CsHH 300-1500 6.74E+02 2.41 0 7.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -795 Cds-CdCs_Cds-HH CsJ-CsCsH 300-1500 5.41E+02 2.41 0 6.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -796 Cds-CdCs_Cds-HH CsJ-CsCsCs 300-1500 4.00E+02 2.41 0 4.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -797 Cds-CdCs_Cds-HH CsJ-CdHH 300-1500 7.00E+03 2.41 0 14.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -798 Cds-CdCs_Cds-HH CsJ-CdCsH 300-1500 1.22E+03 2.41 0 14.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -799 Cds-CdCs_Cds-HH CsJ-CdCsCs 300-1500 1.58E+02 2.41 0 13.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -800 Cds-CdCs_Cds-HH CsJ-CdCdH 300-1500 2.46E+03 2.41 0 18.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -801 Cds-CdCs_Cds-HH CsJ-CdCdCs 300-1500 8.40E+02 2.41 0 18.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -802 Cds-CdCs_Cds-HH CsJ-CbHH 300-1500 3.25E+03 2.41 0 12.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -803 Cds-CdCs_Cds-HH CsJ-CbCsH 300-1500 7.99E+02 2.41 0 11.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -804 Cds-CdCs_Cds-HH CsJ-CbCsCs 300-1500 1.28E+02 2.41 0 10.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -805 Cds-CdCs_Cds-HH CsJ-CtHH 300-1500 3.00E+03 2.41 0 11.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -806 Cds-CdCs_Cds-HH CsJ-CtCsH 300-1500 6.77E+02 2.41 0 11.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -807 Cds-CdCs_Cds-HH CsJ-CtCsCs 300-1500 1.73E+02 2.41 0 10.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -808 Cds-CdCs_Cds-HH CdsJ-H 300-1500 4.54E+03 2.41 0 4.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -809 Cds-CdCs_Cds-HH CdsJ-Cs 300-1500 2.41E+03 2.41 0 4.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -810 Cds-CdCs_Cds-HH CbJ 300-1500 7.17E+03 2.41 0 1.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -811 Cds-CdCs_Cds-CsH CsJ-HHH 300-1500 6.66E+03 2.41 0 7.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -812 Cds-CdCs_Cds-CsH CsJ-CsHH 300-1500 6.77E+02 2.41 0 7.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -813 Cds-CdCs_Cds-CsH CsJ-CsCsH 300-1500 5.43E+02 2.41 0 6.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -814 Cds-CdCs_Cds-CsH CsJ-CsCsCs 300-1500 4.02E+02 2.41 0 4.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -815 Cds-CdCs_Cds-CsH CsJ-CdHH 300-1500 7.03E+03 2.41 0 14.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -816 Cds-CdCs_Cds-CsH CsJ-CdCsH 300-1500 1.22E+03 2.41 0 13.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -817 Cds-CdCs_Cds-CsH CsJ-CdCsCs 300-1500 1.58E+02 2.41 0 12.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -818 Cds-CdCs_Cds-CsH CsJ-CdCdH 300-1500 2.47E+03 2.41 0 18.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -819 Cds-CdCs_Cds-CsH CsJ-CdCdCs 300-1500 8.43E+02 2.41 0 18.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -820 Cds-CdCs_Cds-CsH CsJ-CbHH 300-1500 3.26E+03 2.41 0 11.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -821 Cds-CdCs_Cds-CsH CsJ-CbCsH 300-1500 8.02E+02 2.41 0 11.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -822 Cds-CdCs_Cds-CsH CsJ-CbCsCs 300-1500 1.28E+02 2.41 0 10.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -823 Cds-CdCs_Cds-CsH CsJ-CtHH 300-1500 3.01E+03 2.41 0 11.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -824 Cds-CdCs_Cds-CsH CsJ-CtCsH 300-1500 6.80E+02 2.41 0 11.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -825 Cds-CdCs_Cds-CsH CsJ-CtCsCs 300-1500 1.73E+02 2.41 0 10.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -826 Cds-CdCs_Cds-CsH CdsJ-H 300-1500 4.56E+03 2.41 0 3.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -827 Cds-CdCs_Cds-CsH CdsJ-Cs 300-1500 2.42E+03 2.41 0 3.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -828 Cds-CdCs_Cds-CsH CbJ 300-1500 7.20E+03 2.41 0 1.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -829 Cds-CdCs_Cds-CsCs CsJ-HHH 300-1500 8.38E+03 2.41 0 7.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -830 Cds-CdCs_Cds-CsCs CsJ-CsHH 300-1500 8.51E+02 2.41 0 6.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -831 Cds-CdCs_Cds-CsCs CsJ-CsCsH 300-1500 6.83E+02 2.41 0 5.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -832 Cds-CdCs_Cds-CsCs CsJ-CsCsCs 300-1500 5.06E+02 2.41 0 4.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -833 Cds-CdCs_Cds-CsCs CsJ-CdHH 300-1500 8.85E+03 2.41 0 13.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -834 Cds-CdCs_Cds-CsCs CsJ-CdCsH 300-1500 1.54E+03 2.41 0 13.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -835 Cds-CdCs_Cds-CsCs CsJ-CdCsCs 300-1500 1.99E+02 2.41 0 12.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -836 Cds-CdCs_Cds-CsCs CsJ-CdCdH 300-1500 3.11E+03 2.41 0 18.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -837 Cds-CdCs_Cds-CsCs CsJ-CdCdCs 300-1500 1.06E+03 2.41 0 18.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -838 Cds-CdCs_Cds-CsCs CsJ-CbHH 300-1500 4.10E+03 2.41 0 11.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -839 Cds-CdCs_Cds-CsCs CsJ-CbCsH 300-1500 1.01E+03 2.41 0 10.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -840 Cds-CdCs_Cds-CsCs CsJ-CbCsCs 300-1500 1.61E+02 2.41 0 10.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -841 Cds-CdCs_Cds-CsCs CsJ-CtHH 300-1500 3.79E+03 2.41 0 11.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -842 Cds-CdCs_Cds-CsCs CsJ-CtCsH 300-1500 8.55E+02 2.41 0 10.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -843 Cds-CdCs_Cds-CsCs CsJ-CtCsCs 300-1500 2.18E+02 2.41 0 10.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -844 Cds-CdCs_Cds-CsCs CdsJ-H 300-1500 5.73E+03 2.41 0 3.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -845 Cds-CdCs_Cds-CsCs CdsJ-Cs 300-1500 3.04E+03 2.41 0 3.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -846 Cds-CdCs_Cds-CsCs CbJ 300-1500 9.06E+03 2.41 0 1.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -847 Cds-CdCs_Cds-CdH CsJ-HHH 300-1500 7.48E+03 2.41 0 5.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -848 Cds-CdCs_Cds-CdH CsJ-CsHH 300-1500 7.60E+02 2.41 0 4.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -849 Cds-CdCs_Cds-CdH CsJ-CsCsH 300-1500 6.10E+02 2.41 0 3.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -850 Cds-CdCs_Cds-CdH CsJ-CsCsCs 300-1500 4.51E+02 2.41 0 1.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -851 Cds-CdCs_Cds-CdH CsJ-CdHH 300-1500 7.90E+03 2.41 0 11.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -852 Cds-CdCs_Cds-CdH CsJ-CdCsH 300-1500 1.38E+03 2.41 0 11.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -853 Cds-CdCs_Cds-CdH CsJ-CdCsCs 300-1500 1.78E+02 2.41 0 10.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -854 Cds-CdCs_Cds-CdH CsJ-CdCdH 300-1500 2.77E+03 2.41 0 15.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -855 Cds-CdCs_Cds-CdH CsJ-CdCdCs 300-1500 9.47E+02 2.41 0 15.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -856 Cds-CdCs_Cds-CdH CsJ-CbHH 300-1500 3.66E+03 2.41 0 8.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -857 Cds-CdCs_Cds-CdH CsJ-CbCsH 300-1500 9.00E+02 2.41 0 8.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -858 Cds-CdCs_Cds-CdH CsJ-CbCsCs 300-1500 1.44E+02 2.41 0 7.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -859 Cds-CdCs_Cds-CdH CsJ-CtHH 300-1500 3.38E+03 2.41 0 8.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -860 Cds-CdCs_Cds-CdH CsJ-CtCsH 300-1500 7.63E+02 2.41 0 8.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -861 Cds-CdCs_Cds-CdH CsJ-CtCsCs 300-1500 1.95E+02 2.41 0 7.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -862 Cds-CdCs_Cds-CdH CdsJ-H 300-1500 5.12E+03 2.41 0 1.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -863 Cds-CdCs_Cds-CdH CdsJ-Cs 300-1500 2.71E+03 2.41 0 0.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -864 Cds-CdCs_Cds-CdH CbJ 300-1500 8.09E+03 2.41 0 -1.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -865 Cds-CdCs_Cds-CdCs CsJ-HHH 300-1500 8.49E+03 2.41 0 4.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -866 Cds-CdCs_Cds-CdCs CsJ-CsHH 300-1500 8.62E+02 2.41 0 4.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -867 Cds-CdCs_Cds-CdCs CsJ-CsCsH 300-1500 6.92E+02 2.41 0 2.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -868 Cds-CdCs_Cds-CdCs CsJ-CsCsCs 300-1500 5.12E+02 2.41 0 1.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -869 Cds-CdCs_Cds-CdCs CsJ-CdHH 300-1500 8.96E+03 2.41 0 10.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -870 Cds-CdCs_Cds-CdCs CsJ-CdCsH 300-1500 1.56E+03 2.41 0 10.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -871 Cds-CdCs_Cds-CdCs CsJ-CdCsCs 300-1500 2.02E+02 2.41 0 9.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -872 Cds-CdCs_Cds-CdCs CsJ-CdCdH 300-1500 3.15E+03 2.41 0 15.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -873 Cds-CdCs_Cds-CdCs CsJ-CdCdCs 300-1500 1.07E+03 2.41 0 15.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -874 Cds-CdCs_Cds-CdCs CsJ-CbHH 300-1500 4.16E+03 2.41 0 8.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -875 Cds-CdCs_Cds-CdCs CsJ-CbCsH 300-1500 1.02E+03 2.41 0 7.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -876 Cds-CdCs_Cds-CdCs CsJ-CbCsCs 300-1500 1.64E+02 2.41 0 7.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -877 Cds-CdCs_Cds-CdCs CsJ-CtHH 300-1500 3.84E+03 2.41 0 8.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -878 Cds-CdCs_Cds-CdCs CsJ-CtCsH 300-1500 8.66E+02 2.41 0 7.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -879 Cds-CdCs_Cds-CdCs CsJ-CtCsCs 300-1500 2.21E+02 2.41 0 7.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -880 Cds-CdCs_Cds-CdCs CdsJ-H 300-1500 5.81E+03 2.41 0 0.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -881 Cds-CdCs_Cds-CdCs CdsJ-Cs 300-1500 3.08E+03 2.41 0 0.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -882 Cds-CdCs_Cds-CdCs CbJ 300-1500 9.18E+03 2.41 0 -1.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -883 Cds-CdCs_Cds-CdCd CsJ-HHH 300-1500 2.59E+04 2.41 0 3.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -884 Cds-CdCs_Cds-CdCd CsJ-CsHH 300-1500 2.63E+03 2.41 0 3.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -885 Cds-CdCs_Cds-CdCd CsJ-CsCsH 300-1500 2.11E+03 2.41 0 1.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -886 Cds-CdCs_Cds-CdCd CsJ-CsCsCs 300-1500 1.56E+03 2.41 0 0.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -887 Cds-CdCs_Cds-CdCd CsJ-CdHH 300-1500 2.73E+04 2.41 0 9.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -888 Cds-CdCs_Cds-CdCd CsJ-CdCsH 300-1500 4.76E+03 2.41 0 9.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -889 Cds-CdCs_Cds-CdCd CsJ-CdCsCs 300-1500 6.15E+02 2.41 0 8.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -890 Cds-CdCs_Cds-CdCd CsJ-CdCdH 300-1500 9.59E+03 2.41 0 14.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -891 Cds-CdCs_Cds-CdCd CsJ-CdCdCs 300-1500 3.27E+03 2.41 0 14.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -892 Cds-CdCs_Cds-CdCd CsJ-CbHH 300-1500 1.27E+04 2.41 0 7.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -893 Cds-CdCs_Cds-CdCd CsJ-CbCsH 300-1500 3.11E+03 2.41 0 6.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -894 Cds-CdCs_Cds-CdCd CsJ-CbCsCs 300-1500 4.98E+02 2.41 0 6.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -895 Cds-CdCs_Cds-CdCd CsJ-CtHH 300-1500 1.17E+04 2.41 0 7.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -896 Cds-CdCs_Cds-CdCd CsJ-CtCsH 300-1500 2.64E+03 2.41 0 6.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -897 Cds-CdCs_Cds-CdCd CsJ-CtCsCs 300-1500 6.73E+02 2.41 0 6.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -898 Cds-CdCs_Cds-CdCd CdsJ-H 300-1500 1.77E+04 2.41 0 -0.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -899 Cds-CdCs_Cds-CdCd CdsJ-Cs 300-1500 9.39E+03 2.41 0 -0.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -900 Cds-CdCs_Cds-CdCd CbJ 300-1500 2.80E+04 2.41 0 -2.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -901 Cds-CdCs_Cds-CbH CsJ-HHH 300-1500 2.44E+03 2.41 0 6.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -902 Cds-CdCs_Cds-CbH CsJ-CsHH 300-1500 2.48E+02 2.41 0 6.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -903 Cds-CdCs_Cds-CbH CsJ-CsCsH 300-1500 1.99E+02 2.41 0 5.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -904 Cds-CdCs_Cds-CbH CsJ-CsCsCs 300-1500 1.47E+02 2.41 0 3.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -905 Cds-CdCs_Cds-CbH CsJ-CdHH 300-1500 2.58E+03 2.41 0 13.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -906 Cds-CdCs_Cds-CbH CsJ-CdCsH 300-1500 4.49E+02 2.41 0 12.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -907 Cds-CdCs_Cds-CbH CsJ-CdCsCs 300-1500 5.81E+01 2.41 0 11.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -908 Cds-CdCs_Cds-CbH CsJ-CdCdH 300-1500 9.05E+02 2.41 0 17.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -909 Cds-CdCs_Cds-CbH CsJ-CdCdCs 300-1500 3.09E+02 2.41 0 17.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -910 Cds-CdCs_Cds-CbH CsJ-CbHH 300-1500 1.20E+03 2.41 0 10.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -911 Cds-CdCs_Cds-CbH CsJ-CbCsH 300-1500 2.94E+02 2.41 0 10.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -912 Cds-CdCs_Cds-CbH CsJ-CbCsCs 300-1500 4.70E+01 2.41 0 9.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -913 Cds-CdCs_Cds-CbH CsJ-CtHH 300-1500 1.10E+03 2.41 0 10.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -914 Cds-CdCs_Cds-CbH CsJ-CtCsH 300-1500 2.49E+02 2.41 0 10.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -915 Cds-CdCs_Cds-CbH CsJ-CtCsCs 300-1500 6.35E+01 2.41 0 9.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -916 Cds-CdCs_Cds-CbH CdsJ-H 300-1500 1.67E+03 2.41 0 2.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -917 Cds-CdCs_Cds-CbH CdsJ-Cs 300-1500 8.86E+02 2.41 0 2.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -918 Cds-CdCs_Cds-CbH CbJ 300-1500 2.64E+03 2.41 0 0.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -919 Cds-CdCs_Cds-CbCs CsJ-HHH 300-1500 5.18E+03 2.41 0 6.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -920 Cds-CdCs_Cds-CbCs CsJ-CsHH 300-1500 5.26E+02 2.41 0 6.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -921 Cds-CdCs_Cds-CbCs CsJ-CsCsH 300-1500 4.22E+02 2.41 0 4.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -922 Cds-CdCs_Cds-CbCs CsJ-CsCsCs 300-1500 3.13E+02 2.41 0 3.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -923 Cds-CdCs_Cds-CbCs CsJ-CdHH 300-1500 5.47E+03 2.41 0 12.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -924 Cds-CdCs_Cds-CbCs CsJ-CdCsH 300-1500 9.52E+02 2.41 0 12.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -925 Cds-CdCs_Cds-CbCs CsJ-CdCsCs 300-1500 1.23E+02 2.41 0 11.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -926 Cds-CdCs_Cds-CbCs CsJ-CdCdH 300-1500 1.92E+03 2.41 0 17.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -927 Cds-CdCs_Cds-CbCs CsJ-CdCdCs 300-1500 6.55E+02 2.41 0 17.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -928 Cds-CdCs_Cds-CbCs CsJ-CbHH 300-1500 2.53E+03 2.41 0 10.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -929 Cds-CdCs_Cds-CbCs CsJ-CbCsH 300-1500 6.23E+02 2.41 0 9.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -930 Cds-CdCs_Cds-CbCs CsJ-CbCsCs 300-1500 9.97E+01 2.41 0 9.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -931 Cds-CdCs_Cds-CbCs CsJ-CtHH 300-1500 2.34E+03 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -932 Cds-CdCs_Cds-CbCs CsJ-CtCsH 300-1500 5.28E+02 2.41 0 9.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -933 Cds-CdCs_Cds-CbCs CsJ-CtCsCs 300-1500 1.35E+02 2.41 0 9.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -934 Cds-CdCs_Cds-CbCs CdsJ-H 300-1500 3.54E+03 2.41 0 2.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -935 Cds-CdCs_Cds-CbCs CdsJ-Cs 300-1500 1.88E+03 2.41 0 2.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -936 Cds-CdCs_Cds-CbCs CbJ 300-1500 5.60E+03 2.41 0 0.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -937 Cds-CdCs_Cds-CtH CsJ-HHH 300-1500 9.70E+03 2.41 0 4.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -938 Cds-CdCs_Cds-CtH CsJ-CsHH 300-1500 9.85E+02 2.41 0 4.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -939 Cds-CdCs_Cds-CtH CsJ-CsCsH 300-1500 7.90E+02 2.41 0 3.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -940 Cds-CdCs_Cds-CtH CsJ-CsCsCs 300-1500 5.85E+02 2.41 0 1.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -941 Cds-CdCs_Cds-CtH CsJ-CdHH 300-1500 1.02E+04 2.41 0 11.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -942 Cds-CdCs_Cds-CtH CsJ-CdCsH 300-1500 1.78E+03 2.41 0 10.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -943 Cds-CdCs_Cds-CtH CsJ-CdCsCs 300-1500 2.31E+02 2.41 0 9.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -944 Cds-CdCs_Cds-CtH CsJ-CdCdH 300-1500 3.59E+03 2.41 0 15.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -945 Cds-CdCs_Cds-CtH CsJ-CdCdCs 300-1500 1.23E+03 2.41 0 15.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -946 Cds-CdCs_Cds-CtH CsJ-CbHH 300-1500 4.75E+03 2.41 0 8.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -947 Cds-CdCs_Cds-CtH CsJ-CbCsH 300-1500 1.17E+03 2.41 0 8.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -948 Cds-CdCs_Cds-CtH CsJ-CbCsCs 300-1500 1.87E+02 2.41 0 7.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -949 Cds-CdCs_Cds-CtH CsJ-CtHH 300-1500 4.39E+03 2.41 0 8.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -950 Cds-CdCs_Cds-CtH CsJ-CtCsH 300-1500 9.89E+02 2.41 0 8.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -951 Cds-CdCs_Cds-CtH CsJ-CtCsCs 300-1500 2.52E+02 2.41 0 7.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -952 Cds-CdCs_Cds-CtH CdsJ-H 300-1500 6.64E+03 2.41 0 1.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -953 Cds-CdCs_Cds-CtH CdsJ-Cs 300-1500 3.52E+03 2.41 0 0.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -954 Cds-CdCs_Cds-CtH CbJ 300-1500 1.05E+04 2.41 0 -1.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -955 Cds-CdCs_Cds-CtCs CsJ-HHH 300-1500 9.93E+03 2.41 0 4.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -956 Cds-CdCs_Cds-CtCs CsJ-CsHH 300-1500 1.01E+03 2.41 0 4.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -957 Cds-CdCs_Cds-CtCs CsJ-CsCsH 300-1500 8.09E+02 2.41 0 3.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -958 Cds-CdCs_Cds-CtCs CsJ-CsCsCs 300-1500 5.99E+02 2.41 0 1.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -959 Cds-CdCs_Cds-CtCs CsJ-CdHH 300-1500 1.05E+04 2.41 0 11.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -960 Cds-CdCs_Cds-CtCs CsJ-CdCsH 300-1500 1.82E+03 2.41 0 10.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -961 Cds-CdCs_Cds-CtCs CsJ-CdCsCs 300-1500 2.36E+02 2.41 0 9.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -962 Cds-CdCs_Cds-CtCs CsJ-CdCdH 300-1500 3.68E+03 2.41 0 15.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -963 Cds-CdCs_Cds-CtCs CsJ-CdCdCs 300-1500 1.26E+03 2.41 0 15.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -964 Cds-CdCs_Cds-CtCs CsJ-CbHH 300-1500 4.86E+03 2.41 0 8.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -965 Cds-CdCs_Cds-CtCs CsJ-CbCsH 300-1500 1.19E+03 2.41 0 8.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -966 Cds-CdCs_Cds-CtCs CsJ-CbCsCs 300-1500 1.91E+02 2.41 0 7.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -967 Cds-CdCs_Cds-CtCs CsJ-CtHH 300-1500 4.49E+03 2.41 0 8.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -968 Cds-CdCs_Cds-CtCs CsJ-CtCsH 300-1500 1.01E+03 2.41 0 8.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -969 Cds-CdCs_Cds-CtCs CsJ-CtCsCs 300-1500 2.58E+02 2.41 0 7.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -970 Cds-CdCs_Cds-CtCs CdsJ-H 300-1500 6.79E+03 2.41 0 0.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -971 Cds-CdCs_Cds-CtCs CdsJ-Cs 300-1500 3.60E+03 2.41 0 0.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -972 Cds-CdCs_Cds-CtCs CbJ 300-1500 1.07E+04 2.41 0 -1.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -973 Cds-CdCs_Ca CsJ-HHH 300-1500 7.16E+03 2.41 0 8.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -974 Cds-CdCs_Ca CsJ-CsHH 300-1500 7.28E+02 2.41 0 8.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -975 Cds-CdCs_Ca CsJ-CsCsH 300-1500 5.84E+02 2.41 0 6.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -976 Cds-CdCs_Ca CsJ-CsCsCs 300-1500 4.32E+02 2.41 0 5.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -977 Cds-CdCs_Ca CsJ-CdHH 300-1500 7.56E+03 2.41 0 14.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -978 Cds-CdCs_Ca CsJ-CdCsH 300-1500 1.32E+03 2.41 0 14.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -979 Cds-CdCs_Ca CsJ-CdCsCs 300-1500 1.70E+02 2.41 0 13.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -980 Cds-CdCs_Ca CsJ-CdCdH 300-1500 2.66E+03 2.41 0 19.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -981 Cds-CdCs_Ca CsJ-CdCdCs 300-1500 9.07E+02 2.41 0 19.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -982 Cds-CdCs_Ca CsJ-CbHH 300-1500 3.51E+03 2.41 0 12.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -983 Cds-CdCs_Ca CsJ-CbCsH 300-1500 8.62E+02 2.41 0 11.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -984 Cds-CdCs_Ca CsJ-CbCsCs 300-1500 1.38E+02 2.41 0 11.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -985 Cds-CdCs_Ca CsJ-CtHH 300-1500 3.24E+03 2.41 0 12.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -986 Cds-CdCs_Ca CsJ-CtCsH 300-1500 7.31E+02 2.41 0 11.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -987 Cds-CdCs_Ca CsJ-CtCsCs 300-1500 1.86E+02 2.41 0 11.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -988 Cds-CdCs_Ca CdsJ-H 300-1500 4.90E+03 2.41 0 4.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -989 Cds-CdCs_Ca CdsJ-Cs 300-1500 2.60E+03 2.41 0 4.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -990 Cds-CdCs_Ca CbJ 300-1500 7.74E+03 2.41 0 2.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -991 Cds-CdCd_Cds-HH CsJ-HHH 300-1500 1.40E+04 2.41 0 8.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -992 Cds-CdCd_Cds-HH CsJ-CsHH 300-1500 1.43E+03 2.41 0 7.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -993 Cds-CdCd_Cds-HH CsJ-CsCsH 300-1500 1.14E+03 2.41 0 6.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -994 Cds-CdCd_Cds-HH CsJ-CsCsCs 300-1500 8.47E+02 2.41 0 5.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -995 Cds-CdCd_Cds-HH CsJ-CdHH 300-1500 1.48E+04 2.41 0 14.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -996 Cds-CdCd_Cds-HH CsJ-CdCsH 300-1500 2.58E+03 2.41 0 14.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -997 Cds-CdCd_Cds-HH CsJ-CdCsCs 300-1500 3.34E+02 2.41 0 13.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -998 Cds-CdCd_Cds-HH CsJ-CdCdH 300-1500 5.20E+03 2.41 0 19.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -999 Cds-CdCd_Cds-HH CsJ-CdCdCs 300-1500 1.78E+03 2.41 0 18.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1000 Cds-CdCd_Cds-HH CsJ-CbHH 300-1500 6.87E+03 2.41 0 12.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1001 Cds-CdCd_Cds-HH CsJ-CbCsH 300-1500 1.69E+03 2.41 0 11.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1002 Cds-CdCd_Cds-HH CsJ-CbCsCs 300-1500 2.70E+02 2.41 0 10.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1003 Cds-CdCd_Cds-HH CsJ-CtHH 300-1500 6.35E+03 2.41 0 11.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1004 Cds-CdCd_Cds-HH CsJ-CtCsH 300-1500 1.43E+03 2.41 0 11.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1005 Cds-CdCd_Cds-HH CsJ-CtCsCs 300-1500 3.65E+02 2.41 0 10.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1006 Cds-CdCd_Cds-HH CdsJ-H 300-1500 9.61E+03 2.41 0 4.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1007 Cds-CdCd_Cds-HH CdsJ-Cs 300-1500 5.09E+03 2.41 0 4.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1008 Cds-CdCd_Cds-HH CbJ 300-1500 1.52E+04 2.41 0 1.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1009 Cds-CdCd_Cds-CsH CsJ-HHH 300-1500 1.41E+04 2.41 0 7.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1010 Cds-CdCd_Cds-CsH CsJ-CsHH 300-1500 1.43E+03 2.41 0 7.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1011 Cds-CdCd_Cds-CsH CsJ-CsCsH 300-1500 1.15E+03 2.41 0 6.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1012 Cds-CdCd_Cds-CsH CsJ-CsCsCs 300-1500 8.51E+02 2.41 0 4.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1013 Cds-CdCd_Cds-CsH CsJ-CdHH 300-1500 1.49E+04 2.41 0 14.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1014 Cds-CdCd_Cds-CsH CsJ-CdCsH 300-1500 2.59E+03 2.41 0 13.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1015 Cds-CdCd_Cds-CsH CsJ-CdCsCs 300-1500 3.35E+02 2.41 0 12.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1016 Cds-CdCd_Cds-CsH CsJ-CdCdH 300-1500 5.23E+03 2.41 0 18.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1017 Cds-CdCd_Cds-CsH CsJ-CdCdCs 300-1500 1.78E+03 2.41 0 18.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1018 Cds-CdCd_Cds-CsH CsJ-CbHH 300-1500 6.90E+03 2.41 0 11.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1019 Cds-CdCd_Cds-CsH CsJ-CbCsH 300-1500 1.70E+03 2.41 0 11.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1020 Cds-CdCd_Cds-CsH CsJ-CbCsCs 300-1500 2.71E+02 2.41 0 10.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1021 Cds-CdCd_Cds-CsH CsJ-CtHH 300-1500 6.38E+03 2.41 0 11.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1022 Cds-CdCd_Cds-CsH CsJ-CtCsH 300-1500 1.44E+03 2.41 0 11.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1023 Cds-CdCd_Cds-CsH CsJ-CtCsCs 300-1500 3.67E+02 2.41 0 10.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1024 Cds-CdCd_Cds-CsH CdsJ-H 300-1500 9.65E+03 2.41 0 4.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1025 Cds-CdCd_Cds-CsH CdsJ-Cs 300-1500 5.11E+03 2.41 0 3.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1026 Cds-CdCd_Cds-CsH CbJ 300-1500 1.52E+04 2.41 0 1.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1027 Cds-CdCd_Cds-CsCs CsJ-HHH 300-1500 1.77E+04 2.41 0 7.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1028 Cds-CdCd_Cds-CsCs CsJ-CsHH 300-1500 1.80E+03 2.41 0 6.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1029 Cds-CdCd_Cds-CsCs CsJ-CsCsH 300-1500 1.45E+03 2.41 0 5.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1030 Cds-CdCd_Cds-CsCs CsJ-CsCsCs 300-1500 1.07E+03 2.41 0 4.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1031 Cds-CdCd_Cds-CsCs CsJ-CdHH 300-1500 1.87E+04 2.41 0 13.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1032 Cds-CdCd_Cds-CsCs CsJ-CdCsH 300-1500 3.26E+03 2.41 0 13.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1033 Cds-CdCd_Cds-CsCs CsJ-CdCsCs 300-1500 4.22E+02 2.41 0 12.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1034 Cds-CdCd_Cds-CsCs CsJ-CdCdH 300-1500 6.57E+03 2.41 0 18.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1035 Cds-CdCd_Cds-CsCs CsJ-CdCdCs 300-1500 2.24E+03 2.41 0 18.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1036 Cds-CdCd_Cds-CsCs CsJ-CbHH 300-1500 8.68E+03 2.41 0 11.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1037 Cds-CdCd_Cds-CsCs CsJ-CbCsH 300-1500 2.13E+03 2.41 0 10.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1038 Cds-CdCd_Cds-CsCs CsJ-CbCsCs 300-1500 3.42E+02 2.41 0 10.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1039 Cds-CdCd_Cds-CsCs CsJ-CtHH 300-1500 8.02E+03 2.41 0 11.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1040 Cds-CdCd_Cds-CsCs CsJ-CtCsH 300-1500 1.81E+03 2.41 0 10.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1041 Cds-CdCd_Cds-CsCs CsJ-CtCsCs 300-1500 4.62E+02 2.41 0 10.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1042 Cds-CdCd_Cds-CsCs CdsJ-H 300-1500 1.21E+04 2.41 0 3.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1043 Cds-CdCd_Cds-CsCs CdsJ-Cs 300-1500 6.43E+03 2.41 0 3.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1044 Cds-CdCd_Cds-CsCs CbJ 300-1500 1.92E+04 2.41 0 1.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1045 Cds-CdCd_Cds-CdH CsJ-HHH 300-1500 1.58E+04 2.41 0 5.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1046 Cds-CdCd_Cds-CdH CsJ-CsHH 300-1500 1.61E+03 2.41 0 4.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1047 Cds-CdCd_Cds-CdH CsJ-CsCsH 300-1500 1.29E+03 2.41 0 3.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1048 Cds-CdCd_Cds-CdH CsJ-CsCsCs 300-1500 9.55E+02 2.41 0 1.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1049 Cds-CdCd_Cds-CdH CsJ-CdHH 300-1500 1.67E+04 2.41 0 11.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1050 Cds-CdCd_Cds-CdH CsJ-CdCsH 300-1500 2.91E+03 2.41 0 11.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1051 Cds-CdCd_Cds-CdH CsJ-CdCsCs 300-1500 3.76E+02 2.41 0 10.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1052 Cds-CdCd_Cds-CdH CsJ-CdCdH 300-1500 5.87E+03 2.41 0 15.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1053 Cds-CdCd_Cds-CdH CsJ-CdCdCs 300-1500 2.00E+03 2.41 0 15.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1054 Cds-CdCd_Cds-CdH CsJ-CbHH 300-1500 7.75E+03 2.41 0 9.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1055 Cds-CdCd_Cds-CdH CsJ-CbCsH 300-1500 1.91E+03 2.41 0 8.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1056 Cds-CdCd_Cds-CdH CsJ-CbCsCs 300-1500 3.05E+02 2.41 0 7.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1057 Cds-CdCd_Cds-CdH CsJ-CtHH 300-1500 7.16E+03 2.41 0 8.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1058 Cds-CdCd_Cds-CdH CsJ-CtCsH 300-1500 1.61E+03 2.41 0 8.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1059 Cds-CdCd_Cds-CdH CsJ-CtCsCs 300-1500 4.12E+02 2.41 0 7.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1060 Cds-CdCd_Cds-CdH CdsJ-H 300-1500 1.08E+04 2.41 0 1.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1061 Cds-CdCd_Cds-CdH CdsJ-Cs 300-1500 5.74E+03 2.41 0 1.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1062 Cds-CdCd_Cds-CdH CbJ 300-1500 1.71E+04 2.41 0 -1.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1063 Cds-CdCd_Cds-CdCs CsJ-HHH 300-1500 1.80E+04 2.41 0 4.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1064 Cds-CdCd_Cds-CdCs CsJ-CsHH 300-1500 1.82E+03 2.41 0 4.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1065 Cds-CdCd_Cds-CdCs CsJ-CsCsH 300-1500 1.46E+03 2.41 0 2.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1066 Cds-CdCd_Cds-CdCs CsJ-CsCsCs 300-1500 1.08E+03 2.41 0 1.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1067 Cds-CdCd_Cds-CdCs CsJ-CdHH 300-1500 1.90E+04 2.41 0 10.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1068 Cds-CdCd_Cds-CdCs CsJ-CdCsH 300-1500 3.30E+03 2.41 0 10.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1069 Cds-CdCd_Cds-CdCs CsJ-CdCsCs 300-1500 4.27E+02 2.41 0 9.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1070 Cds-CdCd_Cds-CdCs CsJ-CdCdH 300-1500 6.66E+03 2.41 0 15.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1071 Cds-CdCd_Cds-CdCs CsJ-CdCdCs 300-1500 2.27E+03 2.41 0 15.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1072 Cds-CdCd_Cds-CdCs CsJ-CbHH 300-1500 8.79E+03 2.41 0 8.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1073 Cds-CdCd_Cds-CdCs CsJ-CbCsH 300-1500 2.16E+03 2.41 0 7.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1074 Cds-CdCd_Cds-CdCs CsJ-CbCsCs 300-1500 3.46E+02 2.41 0 7.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1075 Cds-CdCd_Cds-CdCs CsJ-CtHH 300-1500 8.13E+03 2.41 0 8.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1076 Cds-CdCd_Cds-CdCs CsJ-CtCsH 300-1500 1.83E+03 2.41 0 7.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1077 Cds-CdCd_Cds-CdCs CsJ-CtCsCs 300-1500 4.67E+02 2.41 0 7.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1078 Cds-CdCd_Cds-CdCs CdsJ-H 300-1500 1.23E+04 2.41 0 0.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1079 Cds-CdCd_Cds-CdCs CdsJ-Cs 300-1500 6.52E+03 2.41 0 0.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1080 Cds-CdCd_Cds-CdCs CbJ 300-1500 1.94E+04 2.41 0 -1.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1081 Cds-CdCd_Cds-CdCd CsJ-HHH 300-1500 5.48E+04 2.41 0 3.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1082 Cds-CdCd_Cds-CdCd CsJ-CsHH 300-1500 5.56E+03 2.41 0 3.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1083 Cds-CdCd_Cds-CdCd CsJ-CsCsH 300-1500 4.46E+03 2.41 0 1.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1084 Cds-CdCd_Cds-CdCd CsJ-CsCsCs 300-1500 3.30E+03 2.41 0 0.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1085 Cds-CdCd_Cds-CdCd CsJ-CdHH 300-1500 5.78E+04 2.41 0 10.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1086 Cds-CdCd_Cds-CdCd CsJ-CdCsH 300-1500 1.01E+04 2.41 0 9.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1087 Cds-CdCd_Cds-CdCd CsJ-CdCsCs 300-1500 1.30E+03 2.41 0 8.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1088 Cds-CdCd_Cds-CdCd CsJ-CdCdH 300-1500 2.03E+04 2.41 0 14.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1089 Cds-CdCd_Cds-CdCd CsJ-CdCdCs 300-1500 6.93E+03 2.41 0 14.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1090 Cds-CdCd_Cds-CdCd CsJ-CbHH 300-1500 2.68E+04 2.41 0 7.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1091 Cds-CdCd_Cds-CdCd CsJ-CbCsH 300-1500 6.59E+03 2.41 0 7.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1092 Cds-CdCd_Cds-CdCd CsJ-CbCsCs 300-1500 1.05E+03 2.41 0 6.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1093 Cds-CdCd_Cds-CdCd CsJ-CtHH 300-1500 2.48E+04 2.41 0 7.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1094 Cds-CdCd_Cds-CdCd CsJ-CtCsH 300-1500 5.58E+03 2.41 0 7.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1095 Cds-CdCd_Cds-CdCd CsJ-CtCsCs 300-1500 1.42E+03 2.41 0 6.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1096 Cds-CdCd_Cds-CdCd CdsJ-H 300-1500 3.75E+04 2.41 0 -0.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1097 Cds-CdCd_Cds-CdCd CdsJ-Cs 300-1500 1.99E+04 2.41 0 -0.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1098 Cds-CdCd_Cds-CdCd CbJ 300-1500 5.92E+04 2.41 0 -2.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1099 Cds-CdCd_Cds-CbH CsJ-HHH 300-1500 5.17E+03 2.41 0 6.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1100 Cds-CdCd_Cds-CbH CsJ-CsHH 300-1500 5.25E+02 2.41 0 6.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1101 Cds-CdCd_Cds-CbH CsJ-CsCsH 300-1500 4.21E+02 2.41 0 5.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1102 Cds-CdCd_Cds-CbH CsJ-CsCsCs 300-1500 3.12E+02 2.41 0 3.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1103 Cds-CdCd_Cds-CbH CsJ-CdHH 300-1500 5.45E+03 2.41 0 13.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1104 Cds-CdCd_Cds-CbH CsJ-CdCsH 300-1500 9.50E+02 2.41 0 12.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1105 Cds-CdCd_Cds-CbH CsJ-CdCsCs 300-1500 1.23E+02 2.41 0 11.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1106 Cds-CdCd_Cds-CbH CsJ-CdCdH 300-1500 1.92E+03 2.41 0 17.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1107 Cds-CdCd_Cds-CbH CsJ-CdCdCs 300-1500 6.54E+02 2.41 0 17.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1108 Cds-CdCd_Cds-CbH CsJ-CbHH 300-1500 2.53E+03 2.41 0 10.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1109 Cds-CdCd_Cds-CbH CsJ-CbCsH 300-1500 6.22E+02 2.41 0 10.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1110 Cds-CdCd_Cds-CbH CsJ-CbCsCs 300-1500 9.95E+01 2.41 0 9.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1111 Cds-CdCd_Cds-CbH CsJ-CtHH 300-1500 2.34E+03 2.41 0 10.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1112 Cds-CdCd_Cds-CbH CsJ-CtCsH 300-1500 5.27E+02 2.41 0 10.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1113 Cds-CdCd_Cds-CbH CsJ-CtCsCs 300-1500 1.34E+02 2.41 0 9.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1114 Cds-CdCd_Cds-CbH CdsJ-H 300-1500 3.54E+03 2.41 0 3.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1115 Cds-CdCd_Cds-CbH CdsJ-Cs 300-1500 1.87E+03 2.41 0 2.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1116 Cds-CdCd_Cds-CbH CbJ 300-1500 5.59E+03 2.41 0 0.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1117 Cds-CdCd_Cds-CbCs CsJ-HHH 300-1500 1.10E+04 2.41 0 6.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1118 Cds-CdCd_Cds-CbCs CsJ-CsHH 300-1500 1.11E+03 2.41 0 6.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1119 Cds-CdCd_Cds-CbCs CsJ-CsCsH 300-1500 8.93E+02 2.41 0 4.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1120 Cds-CdCd_Cds-CbCs CsJ-CsCsCs 300-1500 6.61E+02 2.41 0 3.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1121 Cds-CdCd_Cds-CbCs CsJ-CdHH 300-1500 1.16E+04 2.41 0 12.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1122 Cds-CdCd_Cds-CbCs CsJ-CdCsH 300-1500 2.01E+03 2.41 0 12.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1123 Cds-CdCd_Cds-CbCs CsJ-CdCsCs 300-1500 2.61E+02 2.41 0 11.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1124 Cds-CdCd_Cds-CbCs CsJ-CdCdH 300-1500 4.06E+03 2.41 0 17.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1125 Cds-CdCd_Cds-CbCs CsJ-CdCdCs 300-1500 1.39E+03 2.41 0 17.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1126 Cds-CdCd_Cds-CbCs CsJ-CbHH 300-1500 5.36E+03 2.41 0 10.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1127 Cds-CdCd_Cds-CbCs CsJ-CbCsH 300-1500 1.32E+03 2.41 0 9.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1128 Cds-CdCd_Cds-CbCs CsJ-CbCsCs 300-1500 2.11E+02 2.41 0 9.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1129 Cds-CdCd_Cds-CbCs CsJ-CtHH 300-1500 4.96E+03 2.41 0 10.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1130 Cds-CdCd_Cds-CbCs CsJ-CtCsH 300-1500 1.12E+03 2.41 0 9.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1131 Cds-CdCd_Cds-CbCs CsJ-CtCsCs 300-1500 2.85E+02 2.41 0 9.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1132 Cds-CdCd_Cds-CbCs CdsJ-H 300-1500 7.50E+03 2.41 0 2.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1133 Cds-CdCd_Cds-CbCs CdsJ-Cs 300-1500 3.98E+03 2.41 0 2.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1134 Cds-CdCd_Cds-CbCs CbJ 300-1500 1.18E+04 2.41 0 0.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1135 Cds-CdCd_Cds-CtH CsJ-HHH 300-1500 2.05E+04 2.41 0 4.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1136 Cds-CdCd_Cds-CtH CsJ-CsHH 300-1500 2.08E+03 2.41 0 4.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1137 Cds-CdCd_Cds-CtH CsJ-CsCsH 300-1500 1.67E+03 2.41 0 3.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1138 Cds-CdCd_Cds-CtH CsJ-CsCsCs 300-1500 1.24E+03 2.41 0 1.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1139 Cds-CdCd_Cds-CtH CsJ-CdHH 300-1500 2.17E+04 2.41 0 11.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1140 Cds-CdCd_Cds-CtH CsJ-CdCsH 300-1500 3.77E+03 2.41 0 10.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1141 Cds-CdCd_Cds-CtH CsJ-CdCsCs 300-1500 4.88E+02 2.41 0 10.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1142 Cds-CdCd_Cds-CtH CsJ-CdCdH 300-1500 7.61E+03 2.41 0 15.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1143 Cds-CdCd_Cds-CtH CsJ-CdCdCs 300-1500 2.60E+03 2.41 0 15.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1144 Cds-CdCd_Cds-CtH CsJ-CbHH 300-1500 1.00E+04 2.41 0 8.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1145 Cds-CdCd_Cds-CtH CsJ-CbCsH 300-1500 2.47E+03 2.41 0 8.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1146 Cds-CdCd_Cds-CtH CsJ-CbCsCs 300-1500 3.95E+02 2.41 0 7.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1147 Cds-CdCd_Cds-CtH CsJ-CtHH 300-1500 9.28E+03 2.41 0 8.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1148 Cds-CdCd_Cds-CtH CsJ-CtCsH 300-1500 2.09E+03 2.41 0 8.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1149 Cds-CdCd_Cds-CtH CsJ-CtCsCs 300-1500 5.34E+02 2.41 0 7.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1150 Cds-CdCd_Cds-CtH CdsJ-H 300-1500 1.40E+04 2.41 0 1.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1151 Cds-CdCd_Cds-CtH CdsJ-Cs 300-1500 7.44E+03 2.41 0 0.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1152 Cds-CdCd_Cds-CtH CbJ 300-1500 2.22E+04 2.41 0 -1.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1153 Cds-CdCd_Cds-CtCs CsJ-HHH 300-1500 2.10E+04 2.41 0 4.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1154 Cds-CdCd_Cds-CtCs CsJ-CsHH 300-1500 2.13E+03 2.41 0 4.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1155 Cds-CdCd_Cds-CtCs CsJ-CsCsH 300-1500 1.71E+03 2.41 0 3.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1156 Cds-CdCd_Cds-CtCs CsJ-CsCsCs 300-1500 1.27E+03 2.41 0 1.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1157 Cds-CdCd_Cds-CtCs CsJ-CdHH 300-1500 2.22E+04 2.41 0 11.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1158 Cds-CdCd_Cds-CtCs CsJ-CdCsH 300-1500 3.86E+03 2.41 0 10.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1159 Cds-CdCd_Cds-CtCs CsJ-CdCsCs 300-1500 4.99E+02 2.41 0 9.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1160 Cds-CdCd_Cds-CtCs CsJ-CdCdH 300-1500 7.79E+03 2.41 0 15.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1161 Cds-CdCd_Cds-CtCs CsJ-CdCdCs 300-1500 2.66E+03 2.41 0 15.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1162 Cds-CdCd_Cds-CtCs CsJ-CbHH 300-1500 1.03E+04 2.41 0 8.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1163 Cds-CdCd_Cds-CtCs CsJ-CbCsH 300-1500 2.53E+03 2.41 0 8.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1164 Cds-CdCd_Cds-CtCs CsJ-CbCsCs 300-1500 4.05E+02 2.41 0 7.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1165 Cds-CdCd_Cds-CtCs CsJ-CtHH 300-1500 9.50E+03 2.41 0 8.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1166 Cds-CdCd_Cds-CtCs CsJ-CtCsH 300-1500 2.14E+03 2.41 0 8.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1167 Cds-CdCd_Cds-CtCs CsJ-CtCsCs 300-1500 5.47E+02 2.41 0 7.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1168 Cds-CdCd_Cds-CtCs CdsJ-H 300-1500 1.44E+04 2.41 0 1.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1169 Cds-CdCd_Cds-CtCs CdsJ-Cs 300-1500 7.62E+03 2.41 0 0.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1170 Cds-CdCd_Cds-CtCs CbJ 300-1500 2.27E+04 2.41 0 -1.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1171 Cds-CdCd_Ca CsJ-HHH 300-1500 1.52E+04 2.41 0 8.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1172 Cds-CdCd_Ca CsJ-CsHH 300-1500 1.54E+03 2.41 0 8.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1173 Cds-CdCd_Ca CsJ-CsCsH 300-1500 1.24E+03 2.41 0 6.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1174 Cds-CdCd_Ca CsJ-CsCsCs 300-1500 9.15E+02 2.41 0 5.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1175 Cds-CdCd_Ca CsJ-CdHH 300-1500 1.60E+04 2.41 0 15.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1176 Cds-CdCd_Ca CsJ-CdCsH 300-1500 2.79E+03 2.41 0 14.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1177 Cds-CdCd_Ca CsJ-CdCsCs 300-1500 3.60E+02 2.41 0 13.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1178 Cds-CdCd_Ca CsJ-CdCdH 300-1500 5.62E+03 2.41 0 19.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1179 Cds-CdCd_Ca CsJ-CdCdCs 300-1500 1.92E+03 2.41 0 19.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1180 Cds-CdCd_Ca CsJ-CbHH 300-1500 7.42E+03 2.41 0 12.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1181 Cds-CdCd_Ca CsJ-CbCsH 300-1500 1.82E+03 2.41 0 12.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1182 Cds-CdCd_Ca CsJ-CbCsCs 300-1500 2.92E+02 2.41 0 11.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1183 Cds-CdCd_Ca CsJ-CtHH 300-1500 6.86E+03 2.41 0 12.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1184 Cds-CdCd_Ca CsJ-CtCsH 300-1500 1.55E+03 2.41 0 12.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1185 Cds-CdCd_Ca CsJ-CtCsCs 300-1500 3.94E+02 2.41 0 11.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1186 Cds-CdCd_Ca CdsJ-H 300-1500 1.04E+04 2.41 0 4.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1187 Cds-CdCd_Ca CdsJ-Cs 300-1500 5.50E+03 2.41 0 4.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1188 Cds-CdCd_Ca CbJ 300-1500 1.64E+04 2.41 0 2.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1189 Cds-CbH_Cds-HH CsJ-HHH 300-1500 3.75E+03 2.41 0 8.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1190 Cds-CbH_Cds-HH CsJ-CsHH 300-1500 3.80E+02 2.41 0 7.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1191 Cds-CbH_Cds-HH CsJ-CsCsH 300-1500 3.05E+02 2.41 0 6.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1192 Cds-CbH_Cds-HH CsJ-CsCsCs 300-1500 2.26E+02 2.41 0 5.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1193 Cds-CbH_Cds-HH CsJ-CdHH 300-1500 3.95E+03 2.41 0 14.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1194 Cds-CbH_Cds-HH CsJ-CdCsH 300-1500 6.88E+02 2.41 0 14.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1195 Cds-CbH_Cds-HH CsJ-CdCsCs 300-1500 8.90E+01 2.41 0 13.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1196 Cds-CbH_Cds-HH CsJ-CdCdH 300-1500 1.39E+03 2.41 0 19.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1197 Cds-CbH_Cds-HH CsJ-CdCdCs 300-1500 4.74E+02 2.41 0 19.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1198 Cds-CbH_Cds-HH CsJ-CbHH 300-1500 1.83E+03 2.41 0 12.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1199 Cds-CbH_Cds-HH CsJ-CbCsH 300-1500 4.51E+02 2.41 0 11.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1200 Cds-CbH_Cds-HH CsJ-CbCsCs 300-1500 7.21E+01 2.41 0 11.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1201 Cds-CbH_Cds-HH CsJ-CtHH 300-1500 1.69E+03 2.41 0 12.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1202 Cds-CbH_Cds-HH CsJ-CtCsH 300-1500 3.82E+02 2.41 0 11.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1203 Cds-CbH_Cds-HH CsJ-CtCsCs 300-1500 9.75E+01 2.41 0 11.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1204 Cds-CbH_Cds-HH CdsJ-H 300-1500 2.56E+03 2.41 0 4.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1205 Cds-CbH_Cds-HH CdsJ-Cs 300-1500 1.36E+03 2.41 0 4.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1206 Cds-CbH_Cds-HH CbJ 300-1500 4.05E+03 2.41 0 2.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1207 Cds-CbH_Cds-CsH CsJ-HHH 300-1500 3.76E+03 2.41 0 8.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1208 Cds-CbH_Cds-CsH CsJ-CsHH 300-1500 3.82E+02 2.41 0 7.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1209 Cds-CbH_Cds-CsH CsJ-CsCsH 300-1500 3.06E+02 2.41 0 6.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1210 Cds-CbH_Cds-CsH CsJ-CsCsCs 300-1500 2.27E+02 2.41 0 5.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1211 Cds-CbH_Cds-CsH CsJ-CdHH 300-1500 3.97E+03 2.41 0 14.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1212 Cds-CbH_Cds-CsH CsJ-CdCsH 300-1500 6.91E+02 2.41 0 14.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1213 Cds-CbH_Cds-CsH CsJ-CdCsCs 300-1500 8.94E+01 2.41 0 13.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1214 Cds-CbH_Cds-CsH CsJ-CdCdH 300-1500 1.39E+03 2.41 0 19.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1215 Cds-CbH_Cds-CsH CsJ-CdCdCs 300-1500 4.76E+02 2.41 0 18.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1216 Cds-CbH_Cds-CsH CsJ-CbHH 300-1500 1.84E+03 2.41 0 12.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1217 Cds-CbH_Cds-CsH CsJ-CbCsH 300-1500 4.53E+02 2.41 0 11.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1218 Cds-CbH_Cds-CsH CsJ-CbCsCs 300-1500 7.24E+01 2.41 0 10.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1219 Cds-CbH_Cds-CsH CsJ-CtHH 300-1500 1.70E+03 2.41 0 11.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1220 Cds-CbH_Cds-CsH CsJ-CtCsH 300-1500 3.84E+02 2.41 0 11.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1221 Cds-CbH_Cds-CsH CsJ-CtCsCs 300-1500 9.79E+01 2.41 0 10.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1222 Cds-CbH_Cds-CsH CdsJ-H 300-1500 2.57E+03 2.41 0 4.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1223 Cds-CbH_Cds-CsH CdsJ-Cs 300-1500 1.36E+03 2.41 0 4.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1224 Cds-CbH_Cds-CsH CbJ 300-1500 4.06E+03 2.41 0 2.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1225 Cds-CbH_Cds-CsCs CsJ-HHH 300-1500 4.73E+03 2.41 0 7.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1226 Cds-CbH_Cds-CsCs CsJ-CsHH 300-1500 4.81E+02 2.41 0 7.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1227 Cds-CbH_Cds-CsCs CsJ-CsCsH 300-1500 3.86E+02 2.41 0 6.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1228 Cds-CbH_Cds-CsCs CsJ-CsCsCs 300-1500 2.86E+02 2.41 0 4.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1229 Cds-CbH_Cds-CsCs CsJ-CdHH 300-1500 4.99E+03 2.41 0 14.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1230 Cds-CbH_Cds-CsCs CsJ-CdCsH 300-1500 8.70E+02 2.41 0 13.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1231 Cds-CbH_Cds-CsCs CsJ-CdCsCs 300-1500 1.12E+02 2.41 0 12.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1232 Cds-CbH_Cds-CsCs CsJ-CdCdH 300-1500 1.75E+03 2.41 0 18.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1233 Cds-CbH_Cds-CsCs CsJ-CdCdCs 300-1500 5.99E+02 2.41 0 18.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1234 Cds-CbH_Cds-CsCs CsJ-CbHH 300-1500 2.32E+03 2.41 0 11.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1235 Cds-CbH_Cds-CsCs CsJ-CbCsH 300-1500 5.70E+02 2.41 0 11.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1236 Cds-CbH_Cds-CsCs CsJ-CbCsCs 300-1500 9.11E+01 2.41 0 10.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1237 Cds-CbH_Cds-CsCs CsJ-CtHH 300-1500 2.14E+03 2.41 0 11.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1238 Cds-CbH_Cds-CsCs CsJ-CtCsH 300-1500 4.83E+02 2.41 0 11.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1239 Cds-CbH_Cds-CsCs CsJ-CtCsCs 300-1500 1.23E+02 2.41 0 10.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1240 Cds-CbH_Cds-CsCs CdsJ-H 300-1500 3.24E+03 2.41 0 4.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1241 Cds-CbH_Cds-CsCs CdsJ-Cs 300-1500 1.72E+03 2.41 0 3.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1242 Cds-CbH_Cds-CsCs CbJ 300-1500 5.11E+03 2.41 0 1.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1243 Cds-CbH_Cds-CdH CsJ-HHH 300-1500 4.22E+03 2.41 0 5.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1244 Cds-CbH_Cds-CdH CsJ-CsHH 300-1500 4.29E+02 2.41 0 4.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1245 Cds-CbH_Cds-CdH CsJ-CsCsH 300-1500 3.44E+02 2.41 0 3.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1246 Cds-CbH_Cds-CdH CsJ-CsCsCs 300-1500 2.55E+02 2.41 0 2.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1247 Cds-CbH_Cds-CdH CsJ-CdHH 300-1500 4.46E+03 2.41 0 11.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1248 Cds-CbH_Cds-CdH CsJ-CdCsH 300-1500 7.76E+02 2.41 0 11.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1249 Cds-CbH_Cds-CdH CsJ-CdCsCs 300-1500 1.00E+02 2.41 0 10.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1250 Cds-CbH_Cds-CdH CsJ-CdCdH 300-1500 1.57E+03 2.41 0 16.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1251 Cds-CbH_Cds-CdH CsJ-CdCdCs 300-1500 5.34E+02 2.41 0 16.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1252 Cds-CbH_Cds-CdH CsJ-CbHH 300-1500 2.07E+03 2.41 0 9.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1253 Cds-CbH_Cds-CdH CsJ-CbCsH 300-1500 5.08E+02 2.41 0 8.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1254 Cds-CbH_Cds-CdH CsJ-CbCsCs 300-1500 8.13E+01 2.41 0 8.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1255 Cds-CbH_Cds-CdH CsJ-CtHH 300-1500 1.91E+03 2.41 0 9.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1256 Cds-CbH_Cds-CdH CsJ-CtCsH 300-1500 4.31E+02 2.41 0 8.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1257 Cds-CbH_Cds-CdH CsJ-CtCsCs 300-1500 1.10E+02 2.41 0 8.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1258 Cds-CbH_Cds-CdH CdsJ-H 300-1500 2.89E+03 2.41 0 1.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1259 Cds-CbH_Cds-CdH CdsJ-Cs 300-1500 1.53E+03 2.41 0 1.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1260 Cds-CbH_Cds-CdH CbJ 300-1500 4.56E+03 2.41 0 -0.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1261 Cds-CbH_Cds-CdCs CsJ-HHH 300-1500 4.79E+03 2.41 0 5.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1262 Cds-CbH_Cds-CdCs CsJ-CsHH 300-1500 4.87E+02 2.41 0 4.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1263 Cds-CbH_Cds-CdCs CsJ-CsCsH 300-1500 3.91E+02 2.41 0 3.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1264 Cds-CbH_Cds-CdCs CsJ-CsCsCs 300-1500 2.89E+02 2.41 0 1.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1265 Cds-CbH_Cds-CdCs CsJ-CdHH 300-1500 5.06E+03 2.41 0 11.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1266 Cds-CbH_Cds-CdCs CsJ-CdCsH 300-1500 8.81E+02 2.41 0 11.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1267 Cds-CbH_Cds-CdCs CsJ-CdCsCs 300-1500 1.14E+02 2.41 0 10.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1268 Cds-CbH_Cds-CdCs CsJ-CdCdH 300-1500 1.78E+03 2.41 0 15.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1269 Cds-CbH_Cds-CdCs CsJ-CdCdCs 300-1500 6.06E+02 2.41 0 15.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1270 Cds-CbH_Cds-CdCs CsJ-CbHH 300-1500 2.35E+03 2.41 0 8.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1271 Cds-CbH_Cds-CdCs CsJ-CbCsH 300-1500 5.77E+02 2.41 0 8.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1272 Cds-CbH_Cds-CdCs CsJ-CbCsCs 300-1500 9.23E+01 2.41 0 7.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1273 Cds-CbH_Cds-CdCs CsJ-CtHH 300-1500 2.17E+03 2.41 0 8.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1274 Cds-CbH_Cds-CdCs CsJ-CtCsH 300-1500 4.89E+02 2.41 0 8.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1275 Cds-CbH_Cds-CdCs CsJ-CtCsCs 300-1500 1.25E+02 2.41 0 7.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1276 Cds-CbH_Cds-CdCs CdsJ-H 300-1500 3.28E+03 2.41 0 1.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1277 Cds-CbH_Cds-CdCs CdsJ-Cs 300-1500 1.74E+03 2.41 0 0.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1278 Cds-CbH_Cds-CdCs CbJ 300-1500 5.18E+03 2.41 0 -1.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1279 Cds-CbH_Cds-CdCd CsJ-HHH 300-1500 1.46E+04 2.41 0 4.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1280 Cds-CbH_Cds-CdCd CsJ-CsHH 300-1500 1.48E+03 2.41 0 3.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1281 Cds-CbH_Cds-CdCd CsJ-CsCsH 300-1500 1.19E+03 2.41 0 2.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1282 Cds-CbH_Cds-CdCd CsJ-CsCsCs 300-1500 8.81E+02 2.41 0 0.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1283 Cds-CbH_Cds-CdCd CsJ-CdHH 300-1500 1.54E+04 2.41 0 10.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1284 Cds-CbH_Cds-CdCd CsJ-CdCsH 300-1500 2.68E+03 2.41 0 10.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1285 Cds-CbH_Cds-CdCd CsJ-CdCsCs 300-1500 3.47E+02 2.41 0 9.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1286 Cds-CbH_Cds-CdCd CsJ-CdCdH 300-1500 5.41E+03 2.41 0 14.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1287 Cds-CbH_Cds-CdCd CsJ-CdCdCs 300-1500 1.85E+03 2.41 0 14.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1288 Cds-CbH_Cds-CdCd CsJ-CbHH 300-1500 7.15E+03 2.41 0 8.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1289 Cds-CbH_Cds-CdCd CsJ-CbCsH 300-1500 1.76E+03 2.41 0 7.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1290 Cds-CbH_Cds-CdCd CsJ-CbCsCs 300-1500 2.81E+02 2.41 0 6.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1291 Cds-CbH_Cds-CdCd CsJ-CtHH 300-1500 6.61E+03 2.41 0 7.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1292 Cds-CbH_Cds-CdCd CsJ-CtCsH 300-1500 1.49E+03 2.41 0 7.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1293 Cds-CbH_Cds-CdCd CsJ-CtCsCs 300-1500 3.80E+02 2.41 0 6.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1294 Cds-CbH_Cds-CdCd CdsJ-H 300-1500 9.99E+03 2.41 0 0.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1295 Cds-CbH_Cds-CdCd CdsJ-Cs 300-1500 5.30E+03 2.41 0 0.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1296 Cds-CbH_Cds-CdCd CbJ 300-1500 1.58E+04 2.41 0 -2.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1297 Cds-CbH_Cds-CbH CsJ-HHH 300-1500 1.38E+03 2.41 0 7.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1298 Cds-CbH_Cds-CbH CsJ-CsHH 300-1500 1.40E+02 2.41 0 6.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1299 Cds-CbH_Cds-CbH CsJ-CsCsH 300-1500 1.12E+02 2.41 0 5.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1300 Cds-CbH_Cds-CbH CsJ-CsCsCs 300-1500 8.32E+01 2.41 0 4.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1301 Cds-CbH_Cds-CbH CsJ-CdHH 300-1500 1.45E+03 2.41 0 13.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1302 Cds-CbH_Cds-CbH CsJ-CdCsH 300-1500 2.53E+02 2.41 0 13.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1303 Cds-CbH_Cds-CbH CsJ-CdCsCs 300-1500 3.28E+01 2.41 0 12.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1304 Cds-CbH_Cds-CbH CsJ-CdCdH 300-1500 5.11E+02 2.41 0 18.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1305 Cds-CbH_Cds-CbH CsJ-CdCdCs 300-1500 1.74E+02 2.41 0 17.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1306 Cds-CbH_Cds-CbH CsJ-CbHH 300-1500 6.75E+02 2.41 0 11.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1307 Cds-CbH_Cds-CbH CsJ-CbCsH 300-1500 1.66E+02 2.41 0 10.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1308 Cds-CbH_Cds-CbH CsJ-CbCsCs 300-1500 2.65E+01 2.41 0 9.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1309 Cds-CbH_Cds-CbH CsJ-CtHH 300-1500 6.24E+02 2.41 0 10.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1310 Cds-CbH_Cds-CbH CsJ-CtCsH 300-1500 1.41E+02 2.41 0 10.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1311 Cds-CbH_Cds-CbH CsJ-CtCsCs 300-1500 3.59E+01 2.41 0 9.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1312 Cds-CbH_Cds-CbH CdsJ-H 300-1500 9.43E+02 2.41 0 3.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1313 Cds-CbH_Cds-CbH CdsJ-Cs 300-1500 5.00E+02 2.41 0 3.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1314 Cds-CbH_Cds-CbH CbJ 300-1500 1.49E+03 2.41 0 0.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1315 Cds-CbH_Cds-CbCs CsJ-HHH 300-1500 2.92E+03 2.41 0 7.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1316 Cds-CbH_Cds-CbCs CsJ-CsHH 300-1500 2.97E+02 2.41 0 6.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1317 Cds-CbH_Cds-CbCs CsJ-CsCsH 300-1500 2.38E+02 2.41 0 5.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1318 Cds-CbH_Cds-CbCs CsJ-CsCsCs 300-1500 1.76E+02 2.41 0 3.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1319 Cds-CbH_Cds-CbCs CsJ-CdHH 300-1500 3.09E+03 2.41 0 13.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1320 Cds-CbH_Cds-CbCs CsJ-CdCsH 300-1500 5.37E+02 2.41 0 13.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1321 Cds-CbH_Cds-CbCs CsJ-CdCsCs 300-1500 6.95E+01 2.41 0 12.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1322 Cds-CbH_Cds-CbCs CsJ-CdCdH 300-1500 1.08E+03 2.41 0 17.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1323 Cds-CbH_Cds-CbCs CsJ-CdCdCs 300-1500 3.70E+02 2.41 0 17.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1324 Cds-CbH_Cds-CbCs CsJ-CbHH 300-1500 1.43E+03 2.41 0 10.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1325 Cds-CbH_Cds-CbCs CsJ-CbCsH 300-1500 3.52E+02 2.41 0 10.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1326 Cds-CbH_Cds-CbCs CsJ-CbCsCs 300-1500 5.63E+01 2.41 0 9.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1327 Cds-CbH_Cds-CbCs CsJ-CtHH 300-1500 1.32E+03 2.41 0 10.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1328 Cds-CbH_Cds-CbCs CsJ-CtCsH 300-1500 2.98E+02 2.41 0 10.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1329 Cds-CbH_Cds-CbCs CsJ-CtCsCs 300-1500 7.61E+01 2.41 0 9.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1330 Cds-CbH_Cds-CbCs CdsJ-H 300-1500 2.00E+03 2.41 0 3.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1331 Cds-CbH_Cds-CbCs CdsJ-Cs 300-1500 1.06E+03 2.41 0 2.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1332 Cds-CbH_Cds-CbCs CbJ 300-1500 3.16E+03 2.41 0 0.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1333 Cds-CbH_Cds-CtH CsJ-HHH 300-1500 5.47E+03 2.41 0 5.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1334 Cds-CbH_Cds-CtH CsJ-CsHH 300-1500 5.56E+02 2.41 0 4.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1335 Cds-CbH_Cds-CtH CsJ-CsCsH 300-1500 4.46E+02 2.41 0 3.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1336 Cds-CbH_Cds-CtH CsJ-CsCsCs 300-1500 3.30E+02 2.41 0 2.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1337 Cds-CbH_Cds-CtH CsJ-CdHH 300-1500 5.78E+03 2.41 0 11.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1338 Cds-CbH_Cds-CtH CsJ-CdCsH 300-1500 1.01E+03 2.41 0 11.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1339 Cds-CbH_Cds-CtH CsJ-CdCsCs 300-1500 1.30E+02 2.41 0 10.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1340 Cds-CbH_Cds-CtH CsJ-CdCdH 300-1500 2.03E+03 2.41 0 16.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1341 Cds-CbH_Cds-CtH CsJ-CdCdCs 300-1500 6.93E+02 2.41 0 15.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1342 Cds-CbH_Cds-CtH CsJ-CbHH 300-1500 2.68E+03 2.41 0 9.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1343 Cds-CbH_Cds-CtH CsJ-CbCsH 300-1500 6.59E+02 2.41 0 8.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1344 Cds-CbH_Cds-CtH CsJ-CbCsCs 300-1500 1.05E+02 2.41 0 8.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1345 Cds-CbH_Cds-CtH CsJ-CtHH 300-1500 2.48E+03 2.41 0 9.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1346 Cds-CbH_Cds-CtH CsJ-CtCsH 300-1500 5.58E+02 2.41 0 8.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1347 Cds-CbH_Cds-CtH CsJ-CtCsCs 300-1500 1.42E+02 2.41 0 7.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1348 Cds-CbH_Cds-CtH CdsJ-H 300-1500 3.75E+03 2.41 0 1.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1349 Cds-CbH_Cds-CtH CdsJ-Cs 300-1500 1.99E+03 2.41 0 1.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1350 Cds-CbH_Cds-CtH CbJ 300-1500 5.92E+03 2.41 0 -0.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1351 Cds-CbH_Cds-CtCs CsJ-HHH 300-1500 5.60E+03 2.41 0 5.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1352 Cds-CbH_Cds-CtCs CsJ-CsHH 300-1500 5.69E+02 2.41 0 4.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1353 Cds-CbH_Cds-CtCs CsJ-CsCsH 300-1500 4.57E+02 2.41 0 3.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1354 Cds-CbH_Cds-CtCs CsJ-CsCsCs 300-1500 3.38E+02 2.41 0 2.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1355 Cds-CbH_Cds-CtCs CsJ-CdHH 300-1500 5.91E+03 2.41 0 11.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1356 Cds-CbH_Cds-CtCs CsJ-CdCsH 300-1500 1.03E+03 2.41 0 11.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1357 Cds-CbH_Cds-CtCs CsJ-CdCsCs 300-1500 1.33E+02 2.41 0 10.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1358 Cds-CbH_Cds-CtCs CsJ-CdCdH 300-1500 2.08E+03 2.41 0 16.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1359 Cds-CbH_Cds-CtCs CsJ-CdCdCs 300-1500 7.09E+02 2.41 0 15.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1360 Cds-CbH_Cds-CtCs CsJ-CbHH 300-1500 2.74E+03 2.41 0 9.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1361 Cds-CbH_Cds-CtCs CsJ-CbCsH 300-1500 6.74E+02 2.41 0 8.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1362 Cds-CbH_Cds-CtCs CsJ-CbCsCs 300-1500 1.08E+02 2.41 0 7.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1363 Cds-CbH_Cds-CtCs CsJ-CtHH 300-1500 2.53E+03 2.41 0 8.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1364 Cds-CbH_Cds-CtCs CsJ-CtCsH 300-1500 5.72E+02 2.41 0 8.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1365 Cds-CbH_Cds-CtCs CsJ-CtCsCs 300-1500 1.46E+02 2.41 0 7.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1366 Cds-CbH_Cds-CtCs CdsJ-H 300-1500 3.83E+03 2.41 0 1.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1367 Cds-CbH_Cds-CtCs CdsJ-Cs 300-1500 2.03E+03 2.41 0 1.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1368 Cds-CbH_Cds-CtCs CbJ 300-1500 6.06E+03 2.41 0 -1.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1369 Cds-CbH_Ca CsJ-HHH 300-1500 4.04E+03 2.41 0 9.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1370 Cds-CbH_Ca CsJ-CsHH 300-1500 4.11E+02 2.41 0 8.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1371 Cds-CbH_Ca CsJ-CsCsH 300-1500 3.30E+02 2.41 0 7.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1372 Cds-CbH_Ca CsJ-CsCsCs 300-1500 2.44E+02 2.41 0 5.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1373 Cds-CbH_Ca CsJ-CdHH 300-1500 4.27E+03 2.41 0 15.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1374 Cds-CbH_Ca CsJ-CdCsH 300-1500 7.43E+02 2.41 0 15.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1375 Cds-CbH_Ca CsJ-CdCsCs 300-1500 9.61E+01 2.41 0 14.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1376 Cds-CbH_Ca CsJ-CdCdH 300-1500 1.50E+03 2.41 0 19.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1377 Cds-CbH_Ca CsJ-CdCdCs 300-1500 5.12E+02 2.41 0 19.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1378 Cds-CbH_Ca CsJ-CbHH 300-1500 1.98E+03 2.41 0 13.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1379 Cds-CbH_Ca CsJ-CbCsH 300-1500 4.87E+02 2.41 0 12.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1380 Cds-CbH_Ca CsJ-CbCsCs 300-1500 7.79E+01 2.41 0 11.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1381 Cds-CbH_Ca CsJ-CtHH 300-1500 1.83E+03 2.41 0 12.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1382 Cds-CbH_Ca CsJ-CtCsH 300-1500 4.13E+02 2.41 0 12.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1383 Cds-CbH_Ca CsJ-CtCsCs 300-1500 1.05E+02 2.41 0 11.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1384 Cds-CbH_Ca CdsJ-H 300-1500 2.77E+03 2.41 0 5.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1385 Cds-CbH_Ca CdsJ-Cs 300-1500 1.47E+03 2.41 0 5.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1386 Cds-CbH_Ca CbJ 300-1500 4.37E+03 2.41 0 2.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1387 Cds-CbCs_Cds-HH CsJ-HHH 300-1500 3.34E+03 2.41 0 9.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1388 Cds-CbCs_Cds-HH CsJ-CsHH 300-1500 3.39E+02 2.41 0 9.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1389 Cds-CbCs_Cds-HH CsJ-CsCsH 300-1500 2.72E+02 2.41 0 7.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1390 Cds-CbCs_Cds-HH CsJ-CsCsCs 300-1500 2.01E+02 2.41 0 6.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1391 Cds-CbCs_Cds-HH CsJ-CdHH 300-1500 3.52E+03 2.41 0 16.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1392 Cds-CbCs_Cds-HH CsJ-CdCsH 300-1500 6.13E+02 2.41 0 15.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1393 Cds-CbCs_Cds-HH CsJ-CdCsCs 300-1500 7.93E+01 2.41 0 14.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1394 Cds-CbCs_Cds-HH CsJ-CdCdH 300-1500 1.24E+03 2.41 0 20.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1395 Cds-CbCs_Cds-HH CsJ-CdCdCs 300-1500 4.22E+02 2.41 0 20.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1396 Cds-CbCs_Cds-HH CsJ-CbHH 300-1500 1.63E+03 2.41 0 13.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1397 Cds-CbCs_Cds-HH CsJ-CbCsH 300-1500 4.02E+02 2.41 0 13.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1398 Cds-CbCs_Cds-HH CsJ-CbCsCs 300-1500 6.42E+01 2.41 0 12.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1399 Cds-CbCs_Cds-HH CsJ-CtHH 300-1500 1.51E+03 2.41 0 13.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1400 Cds-CbCs_Cds-HH CsJ-CtCsH 300-1500 3.40E+02 2.41 0 12.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1401 Cds-CbCs_Cds-HH CsJ-CtCsCs 300-1500 8.68E+01 2.41 0 12.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1402 Cds-CbCs_Cds-HH CdsJ-H 300-1500 2.28E+03 2.41 0 5.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1403 Cds-CbCs_Cds-HH CdsJ-Cs 300-1500 1.21E+03 2.41 0 5.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1404 Cds-CbCs_Cds-HH CbJ 300-1500 3.61E+03 2.41 0 3.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1405 Cds-CbCs_Cds-CsH CsJ-HHH 300-1500 3.35E+03 2.41 0 9.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1406 Cds-CbCs_Cds-CsH CsJ-CsHH 300-1500 3.40E+02 2.41 0 8.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1407 Cds-CbCs_Cds-CsH CsJ-CsCsH 300-1500 2.73E+02 2.41 0 7.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1408 Cds-CbCs_Cds-CsH CsJ-CsCsCs 300-1500 2.02E+02 2.41 0 6.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1409 Cds-CbCs_Cds-CsH CsJ-CdHH 300-1500 3.54E+03 2.41 0 15.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1410 Cds-CbCs_Cds-CsH CsJ-CdCsH 300-1500 6.16E+02 2.41 0 15.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1411 Cds-CbCs_Cds-CsH CsJ-CdCsCs 300-1500 7.96E+01 2.41 0 14.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1412 Cds-CbCs_Cds-CsH CsJ-CdCdH 300-1500 1.24E+03 2.41 0 20.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1413 Cds-CbCs_Cds-CsH CsJ-CdCdCs 300-1500 4.24E+02 2.41 0 20.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1414 Cds-CbCs_Cds-CsH CsJ-CbHH 300-1500 1.64E+03 2.41 0 13.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1415 Cds-CbCs_Cds-CsH CsJ-CbCsH 300-1500 4.03E+02 2.41 0 12.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1416 Cds-CbCs_Cds-CsH CsJ-CbCsCs 300-1500 6.45E+01 2.41 0 12.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1417 Cds-CbCs_Cds-CsH CsJ-CtHH 300-1500 1.52E+03 2.41 0 13.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1418 Cds-CbCs_Cds-CsH CsJ-CtCsH 300-1500 3.42E+02 2.41 0 12.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1419 Cds-CbCs_Cds-CsH CsJ-CtCsCs 300-1500 8.72E+01 2.41 0 11.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1420 Cds-CbCs_Cds-CsH CdsJ-H 300-1500 2.29E+03 2.41 0 5.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1421 Cds-CbCs_Cds-CsH CdsJ-Cs 300-1500 1.22E+03 2.41 0 5.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1422 Cds-CbCs_Cds-CsH CbJ 300-1500 3.62E+03 2.41 0 3.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1423 Cds-CbCs_Cds-CsCs CsJ-HHH 300-1500 4.21E+03 2.41 0 9.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1424 Cds-CbCs_Cds-CsCs CsJ-CsHH 300-1500 4.28E+02 2.41 0 8.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1425 Cds-CbCs_Cds-CsCs CsJ-CsCsH 300-1500 3.43E+02 2.41 0 7.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1426 Cds-CbCs_Cds-CsCs CsJ-CsCsCs 300-1500 2.54E+02 2.41 0 5.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1427 Cds-CbCs_Cds-CsCs CsJ-CdHH 300-1500 4.45E+03 2.41 0 15.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1428 Cds-CbCs_Cds-CsCs CsJ-CdCsH 300-1500 7.75E+02 2.41 0 15.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1429 Cds-CbCs_Cds-CsCs CsJ-CdCsCs 300-1500 1.00E+02 2.41 0 14.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1430 Cds-CbCs_Cds-CsCs CsJ-CdCdH 300-1500 1.56E+03 2.41 0 19.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1431 Cds-CbCs_Cds-CsCs CsJ-CdCdCs 300-1500 5.33E+02 2.41 0 19.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1432 Cds-CbCs_Cds-CsCs CsJ-CbHH 300-1500 2.06E+03 2.41 0 13.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1433 Cds-CbCs_Cds-CsCs CsJ-CbCsH 300-1500 5.07E+02 2.41 0 12.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1434 Cds-CbCs_Cds-CsCs CsJ-CbCsCs 300-1500 8.12E+01 2.41 0 11.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1435 Cds-CbCs_Cds-CsCs CsJ-CtHH 300-1500 1.91E+03 2.41 0 12.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1436 Cds-CbCs_Cds-CsCs CsJ-CtCsH 300-1500 4.30E+02 2.41 0 12.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1437 Cds-CbCs_Cds-CsCs CsJ-CtCsCs 300-1500 1.10E+02 2.41 0 11.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1438 Cds-CbCs_Cds-CsCs CdsJ-H 300-1500 2.88E+03 2.41 0 5.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1439 Cds-CbCs_Cds-CsCs CdsJ-Cs 300-1500 1.53E+03 2.41 0 5.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1440 Cds-CbCs_Cds-CsCs CbJ 300-1500 4.56E+03 2.41 0 2.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1441 Cds-CbCs_Cds-CdH CsJ-HHH 300-1500 3.76E+03 2.41 0 6.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1442 Cds-CbCs_Cds-CdH CsJ-CsHH 300-1500 3.82E+02 2.41 0 6.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1443 Cds-CbCs_Cds-CdH CsJ-CsCsH 300-1500 3.07E+02 2.41 0 4.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1444 Cds-CbCs_Cds-CdH CsJ-CsCsCs 300-1500 2.27E+02 2.41 0 3.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1445 Cds-CbCs_Cds-CdH CsJ-CdHH 300-1500 3.97E+03 2.41 0 12.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1446 Cds-CbCs_Cds-CdH CsJ-CdCsH 300-1500 6.91E+02 2.41 0 12.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1447 Cds-CbCs_Cds-CdH CsJ-CdCsCs 300-1500 8.94E+01 2.41 0 11.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1448 Cds-CbCs_Cds-CdH CsJ-CdCdH 300-1500 1.39E+03 2.41 0 17.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1449 Cds-CbCs_Cds-CdH CsJ-CdCdCs 300-1500 4.76E+02 2.41 0 17.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1450 Cds-CbCs_Cds-CdH CsJ-CbHH 300-1500 1.84E+03 2.41 0 10.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1451 Cds-CbCs_Cds-CdH CsJ-CbCsH 300-1500 4.53E+02 2.41 0 9.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1452 Cds-CbCs_Cds-CdH CsJ-CbCsCs 300-1500 7.24E+01 2.41 0 9.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1453 Cds-CbCs_Cds-CdH CsJ-CtHH 300-1500 1.70E+03 2.41 0 10.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1454 Cds-CbCs_Cds-CdH CsJ-CtCsH 300-1500 3.84E+02 2.41 0 9.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1455 Cds-CbCs_Cds-CdH CsJ-CtCsCs 300-1500 9.79E+01 2.41 0 9.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1456 Cds-CbCs_Cds-CdH CdsJ-H 300-1500 2.57E+03 2.41 0 2.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1457 Cds-CbCs_Cds-CdH CdsJ-Cs 300-1500 1.36E+03 2.41 0 2.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1458 Cds-CbCs_Cds-CdH CbJ 300-1500 4.07E+03 2.41 0 0.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1459 Cds-CbCs_Cds-CdCs CsJ-HHH 300-1500 4.27E+03 2.41 0 6.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1460 Cds-CbCs_Cds-CdCs CsJ-CsHH 300-1500 4.34E+02 2.41 0 5.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1461 Cds-CbCs_Cds-CdCs CsJ-CsCsH 300-1500 3.48E+02 2.41 0 4.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1462 Cds-CbCs_Cds-CdCs CsJ-CsCsCs 300-1500 2.58E+02 2.41 0 3.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1463 Cds-CbCs_Cds-CdCs CsJ-CdHH 300-1500 4.51E+03 2.41 0 12.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1464 Cds-CbCs_Cds-CdCs CsJ-CdCsH 300-1500 7.85E+02 2.41 0 12.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1465 Cds-CbCs_Cds-CdCs CsJ-CdCsCs 300-1500 1.01E+02 2.41 0 11.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1466 Cds-CbCs_Cds-CdCs CsJ-CdCdH 300-1500 1.58E+03 2.41 0 17.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1467 Cds-CbCs_Cds-CdCs CsJ-CdCdCs 300-1500 5.40E+02 2.41 0 16.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1468 Cds-CbCs_Cds-CdCs CsJ-CbHH 300-1500 2.09E+03 2.41 0 10.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1469 Cds-CbCs_Cds-CdCs CsJ-CbCsH 300-1500 5.14E+02 2.41 0 9.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1470 Cds-CbCs_Cds-CdCs CsJ-CbCsCs 300-1500 8.22E+01 2.41 0 8.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1471 Cds-CbCs_Cds-CdCs CsJ-CtHH 300-1500 1.93E+03 2.41 0 9.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1472 Cds-CbCs_Cds-CdCs CsJ-CtCsH 300-1500 4.35E+02 2.41 0 9.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1473 Cds-CbCs_Cds-CdCs CsJ-CtCsCs 300-1500 1.11E+02 2.41 0 8.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1474 Cds-CbCs_Cds-CdCs CdsJ-H 300-1500 2.92E+03 2.41 0 2.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1475 Cds-CbCs_Cds-CdCs CdsJ-Cs 300-1500 1.55E+03 2.41 0 2.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1476 Cds-CbCs_Cds-CdCs CbJ 300-1500 4.61E+03 2.41 0 0.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1477 Cds-CbCs_Cds-CdCd CsJ-HHH 300-1500 1.30E+04 2.41 0 5.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1478 Cds-CbCs_Cds-CdCd CsJ-CsHH 300-1500 1.32E+03 2.41 0 4.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1479 Cds-CbCs_Cds-CdCd CsJ-CsCsH 300-1500 1.06E+03 2.41 0 3.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1480 Cds-CbCs_Cds-CdCd CsJ-CsCsCs 300-1500 7.85E+02 2.41 0 2.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1481 Cds-CbCs_Cds-CdCd CsJ-CdHH 300-1500 1.37E+04 2.41 0 11.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1482 Cds-CbCs_Cds-CdCd CsJ-CdCsH 300-1500 2.39E+03 2.41 0 11.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1483 Cds-CbCs_Cds-CdCd CsJ-CdCsCs 300-1500 3.09E+02 2.41 0 10.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1484 Cds-CbCs_Cds-CdCd CsJ-CdCdH 300-1500 4.82E+03 2.41 0 16.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1485 Cds-CbCs_Cds-CdCd CsJ-CdCdCs 300-1500 1.65E+03 2.41 0 15.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1486 Cds-CbCs_Cds-CdCd CsJ-CbHH 300-1500 6.37E+03 2.41 0 9.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1487 Cds-CbCs_Cds-CdCd CsJ-CbCsH 300-1500 1.57E+03 2.41 0 8.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1488 Cds-CbCs_Cds-CdCd CsJ-CbCsCs 300-1500 2.51E+02 2.41 0 8.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1489 Cds-CbCs_Cds-CdCd CsJ-CtHH 300-1500 5.89E+03 2.41 0 9.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1490 Cds-CbCs_Cds-CdCd CsJ-CtCsH 300-1500 1.33E+03 2.41 0 8.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1491 Cds-CbCs_Cds-CdCd CsJ-CtCsCs 300-1500 3.39E+02 2.41 0 7.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1492 Cds-CbCs_Cds-CdCd CdsJ-H 300-1500 8.90E+03 2.41 0 1.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1493 Cds-CbCs_Cds-CdCd CdsJ-Cs 300-1500 4.72E+03 2.41 0 1.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1494 Cds-CbCs_Cds-CdCd CbJ 300-1500 1.41E+04 2.41 0 -0.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1495 Cds-CbCs_Cds-CbH CsJ-HHH 300-1500 1.23E+03 2.41 0 8.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1496 Cds-CbCs_Cds-CbH CsJ-CsHH 300-1500 1.25E+02 2.41 0 7.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1497 Cds-CbCs_Cds-CbH CsJ-CsCsH 300-1500 1.00E+02 2.41 0 6.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1498 Cds-CbCs_Cds-CbH CsJ-CsCsCs 300-1500 7.41E+01 2.41 0 5.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1499 Cds-CbCs_Cds-CbH CsJ-CdHH 300-1500 1.30E+03 2.41 0 14.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1500 Cds-CbCs_Cds-CbH CsJ-CdCsH 300-1500 2.26E+02 2.41 0 14.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1501 Cds-CbCs_Cds-CbH CsJ-CdCsCs 300-1500 2.92E+01 2.41 0 13.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1502 Cds-CbCs_Cds-CbH CsJ-CdCdH 300-1500 4.55E+02 2.41 0 19.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1503 Cds-CbCs_Cds-CbH CsJ-CdCdCs 300-1500 1.55E+02 2.41 0 19.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1504 Cds-CbCs_Cds-CbH CsJ-CbHH 300-1500 6.01E+02 2.41 0 12.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1505 Cds-CbCs_Cds-CbH CsJ-CbCsH 300-1500 1.48E+02 2.41 0 11.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1506 Cds-CbCs_Cds-CbH CsJ-CbCsCs 300-1500 2.36E+01 2.41 0 11.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1507 Cds-CbCs_Cds-CbH CsJ-CtHH 300-1500 5.55E+02 2.41 0 12.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1508 Cds-CbCs_Cds-CbH CsJ-CtCsH 300-1500 1.25E+02 2.41 0 11.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1509 Cds-CbCs_Cds-CbH CsJ-CtCsCs 300-1500 3.20E+01 2.41 0 10.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1510 Cds-CbCs_Cds-CbH CdsJ-H 300-1500 8.40E+02 2.41 0 4.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1511 Cds-CbCs_Cds-CbH CdsJ-Cs 300-1500 4.45E+02 2.41 0 4.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1512 Cds-CbCs_Cds-CbH CbJ 300-1500 1.33E+03 2.41 0 2.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1513 Cds-CbCs_Cds-CbCs CsJ-HHH 300-1500 2.60E+03 2.41 0 8.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1514 Cds-CbCs_Cds-CbCs CsJ-CsHH 300-1500 2.65E+02 2.41 0 7.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1515 Cds-CbCs_Cds-CbCs CsJ-CsCsH 300-1500 2.12E+02 2.41 0 6.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1516 Cds-CbCs_Cds-CbCs CsJ-CsCsCs 300-1500 1.57E+02 2.41 0 5.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1517 Cds-CbCs_Cds-CbCs CsJ-CdHH 300-1500 2.75E+03 2.41 0 14.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1518 Cds-CbCs_Cds-CbCs CsJ-CdCsH 300-1500 4.79E+02 2.41 0 14.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1519 Cds-CbCs_Cds-CbCs CsJ-CdCsCs 300-1500 6.19E+01 2.41 0 13.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1520 Cds-CbCs_Cds-CbCs CsJ-CdCdH 300-1500 9.65E+02 2.41 0 19.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1521 Cds-CbCs_Cds-CbCs CsJ-CdCdCs 300-1500 3.29E+02 2.41 0 18.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1522 Cds-CbCs_Cds-CbCs CsJ-CbHH 300-1500 1.27E+03 2.41 0 12.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1523 Cds-CbCs_Cds-CbCs CsJ-CbCsH 300-1500 3.13E+02 2.41 0 11.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1524 Cds-CbCs_Cds-CbCs CsJ-CbCsCs 300-1500 5.01E+01 2.41 0 10.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1525 Cds-CbCs_Cds-CbCs CsJ-CtHH 300-1500 1.18E+03 2.41 0 11.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1526 Cds-CbCs_Cds-CbCs CsJ-CtCsH 300-1500 2.66E+02 2.41 0 11.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1527 Cds-CbCs_Cds-CbCs CsJ-CtCsCs 300-1500 6.78E+01 2.41 0 10.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1528 Cds-CbCs_Cds-CbCs CdsJ-H 300-1500 1.78E+03 2.41 0 4.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1529 Cds-CbCs_Cds-CbCs CdsJ-Cs 300-1500 9.45E+02 2.41 0 4.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1530 Cds-CbCs_Cds-CbCs CbJ 300-1500 2.81E+03 2.41 0 2.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1531 Cds-CbCs_Cds-CtH CsJ-HHH 300-1500 4.88E+03 2.41 0 6.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1532 Cds-CbCs_Cds-CtH CsJ-CsHH 300-1500 4.95E+02 2.41 0 5.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1533 Cds-CbCs_Cds-CtH CsJ-CsCsH 300-1500 3.97E+02 2.41 0 4.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1534 Cds-CbCs_Cds-CtH CsJ-CsCsCs 300-1500 2.94E+02 2.41 0 3.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1535 Cds-CbCs_Cds-CtH CsJ-CdHH 300-1500 5.15E+03 2.41 0 12.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1536 Cds-CbCs_Cds-CtH CsJ-CdCsH 300-1500 8.96E+02 2.41 0 12.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1537 Cds-CbCs_Cds-CtH CsJ-CdCsCs 300-1500 1.16E+02 2.41 0 11.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1538 Cds-CbCs_Cds-CtH CsJ-CdCdH 300-1500 1.81E+03 2.41 0 17.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1539 Cds-CbCs_Cds-CtH CsJ-CdCdCs 300-1500 6.17E+02 2.41 0 17.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1540 Cds-CbCs_Cds-CtH CsJ-CbHH 300-1500 2.39E+03 2.41 0 10.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1541 Cds-CbCs_Cds-CtH CsJ-CbCsH 300-1500 5.87E+02 2.41 0 9.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1542 Cds-CbCs_Cds-CtH CsJ-CbCsCs 300-1500 9.39E+01 2.41 0 9.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1543 Cds-CbCs_Cds-CtH CsJ-CtHH 300-1500 2.21E+03 2.41 0 10.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1544 Cds-CbCs_Cds-CtH CsJ-CtCsH 300-1500 4.97E+02 2.41 0 9.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1545 Cds-CbCs_Cds-CtH CsJ-CtCsCs 300-1500 1.27E+02 2.41 0 9.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1546 Cds-CbCs_Cds-CtH CdsJ-H 300-1500 3.34E+03 2.41 0 2.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1547 Cds-CbCs_Cds-CtH CdsJ-Cs 300-1500 1.77E+03 2.41 0 2.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1548 Cds-CbCs_Cds-CtH CbJ 300-1500 5.27E+03 2.41 0 0.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1549 Cds-CbCs_Cds-CtCs CsJ-HHH 300-1500 4.99E+03 2.41 0 6.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1550 Cds-CbCs_Cds-CtCs CsJ-CsHH 300-1500 5.07E+02 2.41 0 5.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1551 Cds-CbCs_Cds-CtCs CsJ-CsCsH 300-1500 4.07E+02 2.41 0 4.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1552 Cds-CbCs_Cds-CtCs CsJ-CsCsCs 300-1500 3.01E+02 2.41 0 3.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1553 Cds-CbCs_Cds-CtCs CsJ-CdHH 300-1500 5.27E+03 2.41 0 12.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1554 Cds-CbCs_Cds-CtCs CsJ-CdCsH 300-1500 9.18E+02 2.41 0 12.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1555 Cds-CbCs_Cds-CtCs CsJ-CdCsCs 300-1500 1.19E+02 2.41 0 11.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1556 Cds-CbCs_Cds-CtCs CsJ-CdCdH 300-1500 1.85E+03 2.41 0 17.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1557 Cds-CbCs_Cds-CtCs CsJ-CdCdCs 300-1500 6.32E+02 2.41 0 17.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1558 Cds-CbCs_Cds-CtCs CsJ-CbHH 300-1500 2.44E+03 2.41 0 10.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1559 Cds-CbCs_Cds-CtCs CsJ-CbCsH 300-1500 6.01E+02 2.41 0 9.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1560 Cds-CbCs_Cds-CtCs CsJ-CbCsCs 300-1500 9.61E+01 2.41 0 9.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1561 Cds-CbCs_Cds-CtCs CsJ-CtHH 300-1500 2.26E+03 2.41 0 10.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1562 Cds-CbCs_Cds-CtCs CsJ-CtCsH 300-1500 5.09E+02 2.41 0 9.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1563 Cds-CbCs_Cds-CtCs CsJ-CtCsCs 300-1500 1.30E+02 2.41 0 8.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1564 Cds-CbCs_Cds-CtCs CdsJ-H 300-1500 3.42E+03 2.41 0 2.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1565 Cds-CbCs_Cds-CtCs CdsJ-Cs 300-1500 1.81E+03 2.41 0 2.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1566 Cds-CbCs_Cds-CtCs CbJ 300-1500 5.40E+03 2.41 0 0.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1567 Cds-CbCs_Ca CsJ-HHH 300-1500 3.60E+03 2.41 0 10.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1568 Cds-CbCs_Ca CsJ-CsHH 300-1500 3.66E+02 2.41 0 9.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1569 Cds-CbCs_Ca CsJ-CsCsH 300-1500 2.94E+02 2.41 0 8.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1570 Cds-CbCs_Ca CsJ-CsCsCs 300-1500 2.17E+02 2.41 0 7.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1571 Cds-CbCs_Ca CsJ-CdHH 300-1500 3.80E+03 2.41 0 16.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1572 Cds-CbCs_Ca CsJ-CdCsH 300-1500 6.62E+02 2.41 0 16.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1573 Cds-CbCs_Ca CsJ-CdCsCs 300-1500 8.56E+01 2.41 0 15.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1574 Cds-CbCs_Ca CsJ-CdCdH 300-1500 1.34E+03 2.41 0 21.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1575 Cds-CbCs_Ca CsJ-CdCdCs 300-1500 4.56E+02 2.41 0 20.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1576 Cds-CbCs_Ca CsJ-CbHH 300-1500 1.76E+03 2.41 0 14.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1577 Cds-CbCs_Ca CsJ-CbCsH 300-1500 4.34E+02 2.41 0 13.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1578 Cds-CbCs_Ca CsJ-CbCsCs 300-1500 6.94E+01 2.41 0 13.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1579 Cds-CbCs_Ca CsJ-CtHH 300-1500 1.63E+03 2.41 0 14.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1580 Cds-CbCs_Ca CsJ-CtCsH 300-1500 3.67E+02 2.41 0 13.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1581 Cds-CbCs_Ca CsJ-CtCsCs 300-1500 9.37E+01 2.41 0 12.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1582 Cds-CbCs_Ca CdsJ-H 300-1500 2.46E+03 2.41 0 6.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1583 Cds-CbCs_Ca CdsJ-Cs 300-1500 1.31E+03 2.41 0 6.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1584 Cds-CbCs_Ca CbJ 300-1500 3.89E+03 2.41 0 4.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1585 Cds-CtH_Cds-HH CsJ-HHH 300-1500 1.46E+04 2.41 0 6.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1586 Cds-CtH_Cds-HH CsJ-CsHH 300-1500 1.48E+03 2.41 0 5.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1587 Cds-CtH_Cds-HH CsJ-CsCsH 300-1500 1.19E+03 2.41 0 4.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1588 Cds-CtH_Cds-HH CsJ-CsCsCs 300-1500 8.80E+02 2.41 0 3.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1589 Cds-CtH_Cds-HH CsJ-CdHH 300-1500 1.54E+04 2.41 0 12.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1590 Cds-CtH_Cds-HH CsJ-CdCsH 300-1500 2.68E+03 2.41 0 12.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1591 Cds-CtH_Cds-HH CsJ-CdCsCs 300-1500 3.47E+02 2.41 0 11.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1592 Cds-CtH_Cds-HH CsJ-CdCdH 300-1500 5.41E+03 2.41 0 17.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1593 Cds-CtH_Cds-HH CsJ-CdCdCs 300-1500 1.85E+03 2.41 0 17.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1594 Cds-CtH_Cds-HH CsJ-CbHH 300-1500 7.14E+03 2.41 0 10.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1595 Cds-CtH_Cds-HH CsJ-CbCsH 300-1500 1.76E+03 2.41 0 9.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1596 Cds-CtH_Cds-HH CsJ-CbCsCs 300-1500 2.81E+02 2.41 0 9.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1597 Cds-CtH_Cds-HH CsJ-CtHH 300-1500 6.60E+03 2.41 0 10.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1598 Cds-CtH_Cds-HH CsJ-CtCsH 300-1500 1.49E+03 2.41 0 9.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1599 Cds-CtH_Cds-HH CsJ-CtCsCs 300-1500 3.80E+02 2.41 0 9.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1600 Cds-CtH_Cds-HH CdsJ-H 300-1500 9.98E+03 2.41 0 2.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1601 Cds-CtH_Cds-HH CdsJ-Cs 300-1500 5.29E+03 2.41 0 2.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1602 Cds-CtH_Cds-HH CbJ 300-1500 1.58E+04 2.41 0 0.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1603 Cds-CtH_Cds-CsH CsJ-HHH 300-1500 1.46E+04 2.41 0 6.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1604 Cds-CtH_Cds-CsH CsJ-CsHH 300-1500 1.49E+03 2.41 0 5.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1605 Cds-CtH_Cds-CsH CsJ-CsCsH 300-1500 1.19E+03 2.41 0 4.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1606 Cds-CtH_Cds-CsH CsJ-CsCsCs 300-1500 8.84E+02 2.41 0 3.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1607 Cds-CtH_Cds-CsH CsJ-CdHH 300-1500 1.55E+04 2.41 0 12.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1608 Cds-CtH_Cds-CsH CsJ-CdCsH 300-1500 2.69E+03 2.41 0 12.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1609 Cds-CtH_Cds-CsH CsJ-CdCsCs 300-1500 3.48E+02 2.41 0 11.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1610 Cds-CtH_Cds-CsH CsJ-CdCdH 300-1500 5.43E+03 2.41 0 17.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1611 Cds-CtH_Cds-CsH CsJ-CdCdCs 300-1500 1.85E+03 2.41 0 16.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1612 Cds-CtH_Cds-CsH CsJ-CbHH 300-1500 7.17E+03 2.41 0 10.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1613 Cds-CtH_Cds-CsH CsJ-CbCsH 300-1500 1.76E+03 2.41 0 9.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1614 Cds-CtH_Cds-CsH CsJ-CbCsCs 300-1500 2.82E+02 2.41 0 8.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1615 Cds-CtH_Cds-CsH CsJ-CtHH 300-1500 6.63E+03 2.41 0 9.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1616 Cds-CtH_Cds-CsH CsJ-CtCsH 300-1500 1.49E+03 2.41 0 9.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1617 Cds-CtH_Cds-CsH CsJ-CtCsCs 300-1500 3.81E+02 2.41 0 8.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1618 Cds-CtH_Cds-CsH CdsJ-H 300-1500 1.00E+04 2.41 0 2.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1619 Cds-CtH_Cds-CsH CdsJ-Cs 300-1500 5.31E+03 2.41 0 2.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1620 Cds-CtH_Cds-CsH CbJ 300-1500 1.58E+04 2.41 0 -0.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1621 Cds-CtH_Cds-CsCs CsJ-HHH 300-1500 1.84E+04 2.41 0 5.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1622 Cds-CtH_Cds-CsCs CsJ-CsHH 300-1500 1.87E+03 2.41 0 5.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1623 Cds-CtH_Cds-CsCs CsJ-CsCsH 300-1500 1.50E+03 2.41 0 4.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1624 Cds-CtH_Cds-CsCs CsJ-CsCsCs 300-1500 1.11E+03 2.41 0 2.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1625 Cds-CtH_Cds-CsCs CsJ-CdHH 300-1500 1.94E+04 2.41 0 12.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1626 Cds-CtH_Cds-CsCs CsJ-CdCsH 300-1500 3.39E+03 2.41 0 11.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1627 Cds-CtH_Cds-CsCs CsJ-CdCsCs 300-1500 4.38E+02 2.41 0 10.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1628 Cds-CtH_Cds-CsCs CsJ-CdCdH 300-1500 6.83E+03 2.41 0 16.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1629 Cds-CtH_Cds-CsCs CsJ-CdCdCs 300-1500 2.33E+03 2.41 0 16.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1630 Cds-CtH_Cds-CsCs CsJ-CbHH 300-1500 9.02E+03 2.41 0 9.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1631 Cds-CtH_Cds-CsCs CsJ-CbCsH 300-1500 2.22E+03 2.41 0 9.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1632 Cds-CtH_Cds-CsCs CsJ-CbCsCs 300-1500 3.55E+02 2.41 0 8.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1633 Cds-CtH_Cds-CsCs CsJ-CtHH 300-1500 8.34E+03 2.41 0 9.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1634 Cds-CtH_Cds-CsCs CsJ-CtCsH 300-1500 1.88E+03 2.41 0 9.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1635 Cds-CtH_Cds-CsCs CsJ-CtCsCs 300-1500 4.80E+02 2.41 0 8.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1636 Cds-CtH_Cds-CsCs CdsJ-H 300-1500 1.26E+04 2.41 0 1.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1637 Cds-CtH_Cds-CsCs CdsJ-Cs 300-1500 6.69E+03 2.41 0 1.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1638 Cds-CtH_Cds-CsCs CbJ 300-1500 1.99E+04 2.41 0 -0.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1639 Cds-CtH_Cds-CdH CsJ-HHH 300-1500 1.64E+04 2.41 0 3.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1640 Cds-CtH_Cds-CdH CsJ-CsHH 300-1500 1.67E+03 2.41 0 2.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1641 Cds-CtH_Cds-CdH CsJ-CsCsH 300-1500 1.34E+03 2.41 0 1.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1642 Cds-CtH_Cds-CdH CsJ-CsCsCs 300-1500 9.93E+02 2.41 0 0.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1643 Cds-CtH_Cds-CdH CsJ-CdHH 300-1500 1.74E+04 2.41 0 9.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1644 Cds-CtH_Cds-CdH CsJ-CdCsH 300-1500 3.02E+03 2.41 0 9.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1645 Cds-CtH_Cds-CdH CsJ-CdCsCs 300-1500 3.91E+02 2.41 0 8.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1646 Cds-CtH_Cds-CdH CsJ-CdCdH 300-1500 6.10E+03 2.41 0 14.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1647 Cds-CtH_Cds-CdH CsJ-CdCdCs 300-1500 2.08E+03 2.41 0 14.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1648 Cds-CtH_Cds-CdH CsJ-CbHH 300-1500 8.05E+03 2.41 0 7.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1649 Cds-CtH_Cds-CdH CsJ-CbCsH 300-1500 1.98E+03 2.41 0 6.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1650 Cds-CtH_Cds-CdH CsJ-CbCsCs 300-1500 3.17E+02 2.41 0 6.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1651 Cds-CtH_Cds-CdH CsJ-CtHH 300-1500 7.44E+03 2.41 0 7.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1652 Cds-CtH_Cds-CdH CsJ-CtCsH 300-1500 1.68E+03 2.41 0 6.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1653 Cds-CtH_Cds-CdH CsJ-CtCsCs 300-1500 4.28E+02 2.41 0 5.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1654 Cds-CtH_Cds-CdH CdsJ-H 300-1500 1.13E+04 2.41 0 -0.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1655 Cds-CtH_Cds-CdH CdsJ-Cs 300-1500 5.97E+03 2.41 0 -0.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1656 Cds-CtH_Cds-CdH CbJ 300-1500 1.78E+04 2.41 0 -2.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1657 Cds-CtH_Cds-CdCs CsJ-HHH 300-1500 1.87E+04 2.41 0 2.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1658 Cds-CtH_Cds-CdCs CsJ-CsHH 300-1500 1.90E+03 2.41 0 2.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1659 Cds-CtH_Cds-CdCs CsJ-CsCsH 300-1500 1.52E+03 2.41 0 1.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1660 Cds-CtH_Cds-CdCs CsJ-CsCsCs 300-1500 1.13E+03 2.41 0 -0.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1661 Cds-CtH_Cds-CdCs CsJ-CdHH 300-1500 1.97E+04 2.41 0 9.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1662 Cds-CtH_Cds-CdCs CsJ-CdCsH 300-1500 3.43E+03 2.41 0 9.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1663 Cds-CtH_Cds-CdCs CsJ-CdCsCs 300-1500 4.44E+02 2.41 0 8.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1664 Cds-CtH_Cds-CdCs CsJ-CdCdH 300-1500 6.92E+03 2.41 0 13.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1665 Cds-CtH_Cds-CdCs CsJ-CdCdCs 300-1500 2.36E+03 2.41 0 13.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1666 Cds-CtH_Cds-CdCs CsJ-CbHH 300-1500 9.14E+03 2.41 0 6.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1667 Cds-CtH_Cds-CdCs CsJ-CbCsH 300-1500 2.25E+03 2.41 0 6.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1668 Cds-CtH_Cds-CdCs CsJ-CbCsCs 300-1500 3.59E+02 2.41 0 5.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1669 Cds-CtH_Cds-CdCs CsJ-CtHH 300-1500 8.44E+03 2.41 0 6.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1670 Cds-CtH_Cds-CdCs CsJ-CtCsH 300-1500 1.90E+03 2.41 0 6.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1671 Cds-CtH_Cds-CdCs CsJ-CtCsCs 300-1500 4.86E+02 2.41 0 5.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1672 Cds-CtH_Cds-CdCs CdsJ-H 300-1500 1.28E+04 2.41 0 -0.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1673 Cds-CtH_Cds-CdCs CdsJ-Cs 300-1500 6.77E+03 2.41 0 -1.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1674 Cds-CtH_Cds-CdCs CbJ 300-1500 2.02E+04 2.41 0 -3.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1675 Cds-CtH_Cds-CdCd CsJ-HHH 300-1500 5.69E+04 2.41 0 2.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1676 Cds-CtH_Cds-CdCd CsJ-CsHH 300-1500 5.78E+03 2.41 0 1.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1677 Cds-CtH_Cds-CdCd CsJ-CsCsH 300-1500 4.63E+03 2.41 0 0.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1678 Cds-CtH_Cds-CdCd CsJ-CsCsCs 300-1500 3.43E+03 2.41 0 -1.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1679 Cds-CtH_Cds-CdCd CsJ-CdHH 300-1500 6.00E+04 2.41 0 8.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1680 Cds-CtH_Cds-CdCd CsJ-CdCsH 300-1500 1.05E+04 2.41 0 8.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1681 Cds-CtH_Cds-CdCd CsJ-CdCsCs 300-1500 1.35E+03 2.41 0 7.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1682 Cds-CtH_Cds-CdCd CsJ-CdCdH 300-1500 2.11E+04 2.41 0 12.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1683 Cds-CtH_Cds-CdCd CsJ-CdCdCs 300-1500 7.20E+03 2.41 0 12.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1684 Cds-CtH_Cds-CdCd CsJ-CbHH 300-1500 2.78E+04 2.41 0 6.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1685 Cds-CtH_Cds-CdCd CsJ-CbCsH 300-1500 6.85E+03 2.41 0 5.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1686 Cds-CtH_Cds-CdCd CsJ-CbCsCs 300-1500 1.10E+03 2.41 0 4.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1687 Cds-CtH_Cds-CdCd CsJ-CtHH 300-1500 2.57E+04 2.41 0 5.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1688 Cds-CtH_Cds-CdCd CsJ-CtCsH 300-1500 5.80E+03 2.41 0 5.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1689 Cds-CtH_Cds-CdCd CsJ-CtCsCs 300-1500 1.48E+03 2.41 0 4.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1690 Cds-CtH_Cds-CdCd CdsJ-H 300-1500 3.89E+04 2.41 0 -1.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1691 Cds-CtH_Cds-CdCd CdsJ-Cs 300-1500 2.06E+04 2.41 0 -1.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1692 Cds-CtH_Cds-CdCd CbJ 300-1500 6.15E+04 2.41 0 -4.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1693 Cds-CtH_Cds-CbH CsJ-HHH 300-1500 5.37E+03 2.41 0 5.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1694 Cds-CtH_Cds-CbH CsJ-CsHH 300-1500 5.45E+02 2.41 0 4.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1695 Cds-CtH_Cds-CbH CsJ-CsCsH 300-1500 4.37E+02 2.41 0 3.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1696 Cds-CtH_Cds-CbH CsJ-CsCsCs 300-1500 3.24E+02 2.41 0 1.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1697 Cds-CtH_Cds-CbH CsJ-CdHH 300-1500 5.67E+03 2.41 0 11.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1698 Cds-CtH_Cds-CbH CsJ-CdCsH 300-1500 9.87E+02 2.41 0 11.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1699 Cds-CtH_Cds-CbH CsJ-CdCsCs 300-1500 1.28E+02 2.41 0 10.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1700 Cds-CtH_Cds-CbH CsJ-CdCdH 300-1500 1.99E+03 2.41 0 15.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1701 Cds-CtH_Cds-CbH CsJ-CdCdCs 300-1500 6.79E+02 2.41 0 15.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1702 Cds-CtH_Cds-CbH CsJ-CbHH 300-1500 2.63E+03 2.41 0 9.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1703 Cds-CtH_Cds-CbH CsJ-CbCsH 300-1500 6.46E+02 2.41 0 8.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1704 Cds-CtH_Cds-CbH CsJ-CbCsCs 300-1500 1.03E+02 2.41 0 7.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1705 Cds-CtH_Cds-CbH CsJ-CtHH 300-1500 2.43E+03 2.41 0 8.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1706 Cds-CtH_Cds-CbH CsJ-CtCsH 300-1500 5.48E+02 2.41 0 8.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1707 Cds-CtH_Cds-CbH CsJ-CtCsCs 300-1500 1.40E+02 2.41 0 7.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1708 Cds-CtH_Cds-CbH CdsJ-H 300-1500 3.67E+03 2.41 0 1.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1709 Cds-CtH_Cds-CbH CdsJ-Cs 300-1500 1.95E+03 2.41 0 1.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1710 Cds-CtH_Cds-CbH CbJ 300-1500 5.80E+03 2.41 0 -1.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1711 Cds-CtH_Cds-CbCs CsJ-HHH 300-1500 1.14E+04 2.41 0 4.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1712 Cds-CtH_Cds-CbCs CsJ-CsHH 300-1500 1.16E+03 2.41 0 4.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1713 Cds-CtH_Cds-CbCs CsJ-CsCsH 300-1500 9.28E+02 2.41 0 3.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1714 Cds-CtH_Cds-CbCs CsJ-CsCsCs 300-1500 6.87E+02 2.41 0 1.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1715 Cds-CtH_Cds-CbCs CsJ-CdHH 300-1500 1.20E+04 2.41 0 11.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1716 Cds-CtH_Cds-CbCs CsJ-CdCsH 300-1500 2.09E+03 2.41 0 11.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1717 Cds-CtH_Cds-CbCs CsJ-CdCsCs 300-1500 2.71E+02 2.41 0 10.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1718 Cds-CtH_Cds-CbCs CsJ-CdCdH 300-1500 4.22E+03 2.41 0 15.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1719 Cds-CtH_Cds-CbCs CsJ-CdCdCs 300-1500 1.44E+03 2.41 0 15.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1720 Cds-CtH_Cds-CbCs CsJ-CbHH 300-1500 5.57E+03 2.41 0 8.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1721 Cds-CtH_Cds-CbCs CsJ-CbCsH 300-1500 1.37E+03 2.41 0 8.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1722 Cds-CtH_Cds-CbCs CsJ-CbCsCs 300-1500 2.19E+02 2.41 0 7.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1723 Cds-CtH_Cds-CbCs CsJ-CtHH 300-1500 5.15E+03 2.41 0 8.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1724 Cds-CtH_Cds-CbCs CsJ-CtCsH 300-1500 1.16E+03 2.41 0 8.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1725 Cds-CtH_Cds-CbCs CsJ-CtCsCs 300-1500 2.96E+02 2.41 0 7.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1726 Cds-CtH_Cds-CbCs CdsJ-H 300-1500 7.79E+03 2.41 0 1.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1727 Cds-CtH_Cds-CbCs CdsJ-Cs 300-1500 4.13E+03 2.41 0 0.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1728 Cds-CtH_Cds-CbCs CbJ 300-1500 1.23E+04 2.41 0 -1.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1729 Cds-CtH_Cds-CtH CsJ-HHH 300-1500 2.13E+04 2.41 0 3.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1730 Cds-CtH_Cds-CtH CsJ-CsHH 300-1500 2.17E+03 2.41 0 2.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1731 Cds-CtH_Cds-CtH CsJ-CsCsH 300-1500 1.74E+03 2.41 0 1.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1732 Cds-CtH_Cds-CtH CsJ-CsCsCs 300-1500 1.29E+03 2.41 0 0.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1733 Cds-CtH_Cds-CtH CsJ-CdHH 300-1500 2.25E+04 2.41 0 9.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1734 Cds-CtH_Cds-CtH CsJ-CdCsH 300-1500 3.92E+03 2.41 0 9.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1735 Cds-CtH_Cds-CtH CsJ-CdCsCs 300-1500 5.07E+02 2.41 0 8.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1736 Cds-CtH_Cds-CtH CsJ-CdCdH 300-1500 7.90E+03 2.41 0 14.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1737 Cds-CtH_Cds-CtH CsJ-CdCdCs 300-1500 2.70E+03 2.41 0 13.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1738 Cds-CtH_Cds-CtH CsJ-CbHH 300-1500 1.04E+04 2.41 0 7.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1739 Cds-CtH_Cds-CtH CsJ-CbCsH 300-1500 2.57E+03 2.41 0 6.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1740 Cds-CtH_Cds-CtH CsJ-CbCsCs 300-1500 4.11E+02 2.41 0 5.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1741 Cds-CtH_Cds-CtH CsJ-CtHH 300-1500 9.64E+03 2.41 0 6.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1742 Cds-CtH_Cds-CtH CsJ-CtCsH 300-1500 2.17E+03 2.41 0 6.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1743 Cds-CtH_Cds-CtH CsJ-CtCsCs 300-1500 5.55E+02 2.41 0 5.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1744 Cds-CtH_Cds-CtH CdsJ-H 300-1500 1.46E+04 2.41 0 -0.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1745 Cds-CtH_Cds-CtH CdsJ-Cs 300-1500 7.73E+03 2.41 0 -0.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1746 Cds-CtH_Cds-CtH CbJ 300-1500 2.30E+04 2.41 0 -2.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1747 Cds-CtH_Cds-CtCs CsJ-HHH 300-1500 2.18E+04 2.41 0 3.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1748 Cds-CtH_Cds-CtCs CsJ-CsHH 300-1500 2.22E+03 2.41 0 2.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1749 Cds-CtH_Cds-CtCs CsJ-CsCsH 300-1500 1.78E+03 2.41 0 1.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1750 Cds-CtH_Cds-CtCs CsJ-CsCsCs 300-1500 1.32E+03 2.41 0 -0.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1751 Cds-CtH_Cds-CtCs CsJ-CdHH 300-1500 2.30E+04 2.41 0 9.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1752 Cds-CtH_Cds-CtCs CsJ-CdCsH 300-1500 4.01E+03 2.41 0 9.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1753 Cds-CtH_Cds-CtCs CsJ-CdCsCs 300-1500 5.19E+02 2.41 0 8.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1754 Cds-CtH_Cds-CtCs CsJ-CdCdH 300-1500 8.09E+03 2.41 0 13.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1755 Cds-CtH_Cds-CtCs CsJ-CdCdCs 300-1500 2.76E+03 2.41 0 13.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1756 Cds-CtH_Cds-CtCs CsJ-CbHH 300-1500 1.07E+04 2.41 0 7.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1757 Cds-CtH_Cds-CtCs CsJ-CbCsH 300-1500 2.63E+03 2.41 0 6.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1758 Cds-CtH_Cds-CtCs CsJ-CbCsCs 300-1500 4.20E+02 2.41 0 5.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1759 Cds-CtH_Cds-CtCs CsJ-CtHH 300-1500 9.87E+03 2.41 0 6.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1760 Cds-CtH_Cds-CtCs CsJ-CtCsH 300-1500 2.23E+03 2.41 0 6.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1761 Cds-CtH_Cds-CtCs CsJ-CtCsCs 300-1500 5.68E+02 2.41 0 5.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1762 Cds-CtH_Cds-CtCs CdsJ-H 300-1500 1.49E+04 2.41 0 -0.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1763 Cds-CtH_Cds-CtCs CdsJ-Cs 300-1500 7.92E+03 2.41 0 -0.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1764 Cds-CtH_Cds-CtCs CbJ 300-1500 2.36E+04 2.41 0 -3.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1765 Cds-CtH_Ca CsJ-HHH 300-1500 1.58E+04 2.41 0 7.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1766 Cds-CtH_Ca CsJ-CsHH 300-1500 1.60E+03 2.41 0 6.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1767 Cds-CtH_Ca CsJ-CsCsH 300-1500 1.28E+03 2.41 0 5.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1768 Cds-CtH_Ca CsJ-CsCsCs 300-1500 9.51E+02 2.41 0 3.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1769 Cds-CtH_Ca CsJ-CdHH 300-1500 1.66E+04 2.41 0 13.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1770 Cds-CtH_Ca CsJ-CdCsH 300-1500 2.90E+03 2.41 0 13.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1771 Cds-CtH_Ca CsJ-CdCsCs 300-1500 3.74E+02 2.41 0 12.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1772 Cds-CtH_Ca CsJ-CdCdH 300-1500 5.84E+03 2.41 0 17.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1773 Cds-CtH_Ca CsJ-CdCdCs 300-1500 1.99E+03 2.41 0 17.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1774 Cds-CtH_Ca CsJ-CbHH 300-1500 7.71E+03 2.41 0 11.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1775 Cds-CtH_Ca CsJ-CbCsH 300-1500 1.90E+03 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1776 Cds-CtH_Ca CsJ-CbCsCs 300-1500 3.03E+02 2.41 0 9.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1777 Cds-CtH_Ca CsJ-CtHH 300-1500 7.12E+03 2.41 0 10.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1778 Cds-CtH_Ca CsJ-CtCsH 300-1500 1.61E+03 2.41 0 10.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1779 Cds-CtH_Ca CsJ-CtCsCs 300-1500 4.10E+02 2.41 0 9.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1780 Cds-CtH_Ca CdsJ-H 300-1500 1.08E+04 2.41 0 3.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1781 Cds-CtH_Ca CdsJ-Cs 300-1500 5.71E+03 2.41 0 3.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1782 Cds-CtH_Ca CbJ 300-1500 1.70E+04 2.41 0 0.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1783 Cds-CtCs_Cds-HH CsJ-HHH 300-1500 7.01E+03 2.41 0 7.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1784 Cds-CtCs_Cds-HH CsJ-CsHH 300-1500 7.12E+02 2.41 0 7.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1785 Cds-CtCs_Cds-HH CsJ-CsCsH 300-1500 5.71E+02 2.41 0 6.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1786 Cds-CtCs_Cds-HH CsJ-CsCsCs 300-1500 4.23E+02 2.41 0 4.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1787 Cds-CtCs_Cds-HH CsJ-CdHH 300-1500 7.39E+03 2.41 0 14.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1788 Cds-CtCs_Cds-HH CsJ-CdCsH 300-1500 1.29E+03 2.41 0 13.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1789 Cds-CtCs_Cds-HH CsJ-CdCsCs 300-1500 1.67E+02 2.41 0 12.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1790 Cds-CtCs_Cds-HH CsJ-CdCdH 300-1500 2.60E+03 2.41 0 18.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1791 Cds-CtCs_Cds-HH CsJ-CdCdCs 300-1500 8.87E+02 2.41 0 18.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1792 Cds-CtCs_Cds-HH CsJ-CbHH 300-1500 3.43E+03 2.41 0 11.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1793 Cds-CtCs_Cds-HH CsJ-CbCsH 300-1500 8.43E+02 2.41 0 11.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1794 Cds-CtCs_Cds-HH CsJ-CbCsCs 300-1500 1.35E+02 2.41 0 10.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1795 Cds-CtCs_Cds-HH CsJ-CtHH 300-1500 3.17E+03 2.41 0 11.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1796 Cds-CtCs_Cds-HH CsJ-CtCsH 300-1500 7.15E+02 2.41 0 11.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1797 Cds-CtCs_Cds-HH CsJ-CtCsCs 300-1500 1.82E+02 2.41 0 10.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1798 Cds-CtCs_Cds-HH CdsJ-H 300-1500 4.79E+03 2.41 0 4.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1799 Cds-CtCs_Cds-HH CdsJ-Cs 300-1500 2.54E+03 2.41 0 3.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1800 Cds-CtCs_Cds-HH CbJ 300-1500 7.57E+03 2.41 0 1.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1801 Cds-CtCs_Cds-CsH CsJ-HHH 300-1500 7.04E+03 2.41 0 7.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1802 Cds-CtCs_Cds-CsH CsJ-CsHH 300-1500 7.15E+02 2.41 0 7.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1803 Cds-CtCs_Cds-CsH CsJ-CsCsH 300-1500 5.73E+02 2.41 0 5.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1804 Cds-CtCs_Cds-CsH CsJ-CsCsCs 300-1500 4.25E+02 2.41 0 4.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1805 Cds-CtCs_Cds-CsH CsJ-CdHH 300-1500 7.43E+03 2.41 0 13.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1806 Cds-CtCs_Cds-CsH CsJ-CdCsH 300-1500 1.29E+03 2.41 0 13.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1807 Cds-CtCs_Cds-CsH CsJ-CdCsCs 300-1500 1.67E+02 2.41 0 12.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1808 Cds-CtCs_Cds-CsH CsJ-CdCdH 300-1500 2.61E+03 2.41 0 18.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1809 Cds-CtCs_Cds-CsH CsJ-CdCdCs 300-1500 8.90E+02 2.41 0 18.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1810 Cds-CtCs_Cds-CsH CsJ-CbHH 300-1500 3.44E+03 2.41 0 11.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1811 Cds-CtCs_Cds-CsH CsJ-CbCsH 300-1500 8.47E+02 2.41 0 10.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1812 Cds-CtCs_Cds-CsH CsJ-CbCsCs 300-1500 1.35E+02 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1813 Cds-CtCs_Cds-CsH CsJ-CtHH 300-1500 3.18E+03 2.41 0 11.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1814 Cds-CtCs_Cds-CsH CsJ-CtCsH 300-1500 7.18E+02 2.41 0 10.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1815 Cds-CtCs_Cds-CsH CsJ-CtCsCs 300-1500 1.83E+02 2.41 0 10.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1816 Cds-CtCs_Cds-CsH CdsJ-H 300-1500 4.81E+03 2.41 0 3.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1817 Cds-CtCs_Cds-CsH CdsJ-Cs 300-1500 2.55E+03 2.41 0 3.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1818 Cds-CtCs_Cds-CsH CbJ 300-1500 7.60E+03 2.41 0 1.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1819 Cds-CtCs_Cds-CsCs CsJ-HHH 300-1500 8.85E+03 2.41 0 7.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1820 Cds-CtCs_Cds-CsCs CsJ-CsHH 300-1500 8.99E+02 2.41 0 6.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1821 Cds-CtCs_Cds-CsCs CsJ-CsCsH 300-1500 7.21E+02 2.41 0 5.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1822 Cds-CtCs_Cds-CsCs CsJ-CsCsCs 300-1500 5.34E+02 2.41 0 4.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1823 Cds-CtCs_Cds-CsCs CsJ-CdHH 300-1500 9.34E+03 2.41 0 13.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1824 Cds-CtCs_Cds-CsCs CsJ-CdCsH 300-1500 1.63E+03 2.41 0 13.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1825 Cds-CtCs_Cds-CsCs CsJ-CdCsCs 300-1500 2.10E+02 2.41 0 12.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1826 Cds-CtCs_Cds-CsCs CsJ-CdCdH 300-1500 3.28E+03 2.41 0 18.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1827 Cds-CtCs_Cds-CsCs CsJ-CdCdCs 300-1500 1.12E+03 2.41 0 17.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1828 Cds-CtCs_Cds-CsCs CsJ-CbHH 300-1500 4.33E+03 2.41 0 11.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1829 Cds-CtCs_Cds-CsCs CsJ-CbCsH 300-1500 1.07E+03 2.41 0 10.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1830 Cds-CtCs_Cds-CsCs CsJ-CbCsCs 300-1500 1.70E+02 2.41 0 9.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1831 Cds-CtCs_Cds-CsCs CsJ-CtHH 300-1500 4.00E+03 2.41 0 10.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1832 Cds-CtCs_Cds-CsCs CsJ-CtCsH 300-1500 9.03E+02 2.41 0 10.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1833 Cds-CtCs_Cds-CsCs CsJ-CtCsCs 300-1500 2.30E+02 2.41 0 9.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1834 Cds-CtCs_Cds-CsCs CdsJ-H 300-1500 6.06E+03 2.41 0 3.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1835 Cds-CtCs_Cds-CsCs CdsJ-Cs 300-1500 3.21E+03 2.41 0 3.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1836 Cds-CtCs_Cds-CsCs CbJ 300-1500 9.57E+03 2.41 0 1.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1837 Cds-CtCs_Cds-CdH CsJ-HHH 300-1500 7.90E+03 2.41 0 4.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1838 Cds-CtCs_Cds-CdH CsJ-CsHH 300-1500 8.03E+02 2.41 0 4.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1839 Cds-CtCs_Cds-CdH CsJ-CsCsH 300-1500 6.44E+02 2.41 0 3.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1840 Cds-CtCs_Cds-CdH CsJ-CsCsCs 300-1500 4.77E+02 2.41 0 1.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1841 Cds-CtCs_Cds-CdH CsJ-CdHH 300-1500 8.34E+03 2.41 0 11.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1842 Cds-CtCs_Cds-CdH CsJ-CdCsH 300-1500 1.45E+03 2.41 0 10.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1843 Cds-CtCs_Cds-CdH CsJ-CdCsCs 300-1500 1.88E+02 2.41 0 9.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1844 Cds-CtCs_Cds-CdH CsJ-CdCdH 300-1500 2.93E+03 2.41 0 15.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1845 Cds-CtCs_Cds-CdH CsJ-CdCdCs 300-1500 1.00E+03 2.41 0 15.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1846 Cds-CtCs_Cds-CdH CsJ-CbHH 300-1500 3.87E+03 2.41 0 8.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1847 Cds-CtCs_Cds-CdH CsJ-CbCsH 300-1500 9.51E+02 2.41 0 8.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1848 Cds-CtCs_Cds-CdH CsJ-CbCsCs 300-1500 1.52E+02 2.41 0 7.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1849 Cds-CtCs_Cds-CdH CsJ-CtHH 300-1500 3.57E+03 2.41 0 8.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1850 Cds-CtCs_Cds-CdH CsJ-CtCsH 300-1500 8.06E+02 2.41 0 8.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1851 Cds-CtCs_Cds-CdH CsJ-CtCsCs 300-1500 2.06E+02 2.41 0 7.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1852 Cds-CtCs_Cds-CdH CdsJ-H 300-1500 5.41E+03 2.41 0 0.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1853 Cds-CtCs_Cds-CdH CdsJ-Cs 300-1500 2.87E+03 2.41 0 0.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1854 Cds-CtCs_Cds-CdH CbJ 300-1500 8.54E+03 2.41 0 -1.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1855 Cds-CtCs_Cds-CdCs CsJ-HHH 300-1500 8.97E+03 2.41 0 4.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1856 Cds-CtCs_Cds-CdCs CsJ-CsHH 300-1500 9.11E+02 2.41 0 3.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1857 Cds-CtCs_Cds-CdCs CsJ-CsCsH 300-1500 7.31E+02 2.41 0 2.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1858 Cds-CtCs_Cds-CdCs CsJ-CsCsCs 300-1500 5.41E+02 2.41 0 1.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1859 Cds-CtCs_Cds-CdCs CsJ-CdHH 300-1500 9.46E+03 2.41 0 10.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1860 Cds-CtCs_Cds-CdCs CsJ-CdCsH 300-1500 1.65E+03 2.41 0 10.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1861 Cds-CtCs_Cds-CdCs CsJ-CdCsCs 300-1500 2.13E+02 2.41 0 9.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1862 Cds-CtCs_Cds-CdCs CsJ-CdCdH 300-1500 3.32E+03 2.41 0 15.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1863 Cds-CtCs_Cds-CdCs CsJ-CdCdCs 300-1500 1.13E+03 2.41 0 15.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1864 Cds-CtCs_Cds-CdCs CsJ-CbHH 300-1500 4.39E+03 2.41 0 8.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1865 Cds-CtCs_Cds-CdCs CsJ-CbCsH 300-1500 1.08E+03 2.41 0 7.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1866 Cds-CtCs_Cds-CdCs CsJ-CbCsCs 300-1500 1.73E+02 2.41 0 7.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1867 Cds-CtCs_Cds-CdCs CsJ-CtHH 300-1500 4.06E+03 2.41 0 8.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1868 Cds-CtCs_Cds-CdCs CsJ-CtCsH 300-1500 9.15E+02 2.41 0 7.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1869 Cds-CtCs_Cds-CdCs CsJ-CtCsCs 300-1500 2.33E+02 2.41 0 6.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1870 Cds-CtCs_Cds-CdCs CdsJ-H 300-1500 6.13E+03 2.41 0 0.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1871 Cds-CtCs_Cds-CdCs CdsJ-Cs 300-1500 3.25E+03 2.41 0 0.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1872 Cds-CtCs_Cds-CdCs CbJ 300-1500 9.69E+03 2.41 0 -1.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1873 Cds-CtCs_Cds-CdCd CsJ-HHH 300-1500 2.73E+04 2.41 0 3.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1874 Cds-CtCs_Cds-CdCd CsJ-CsHH 300-1500 2.78E+03 2.41 0 2.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1875 Cds-CtCs_Cds-CdCd CsJ-CsCsH 300-1500 2.23E+03 2.41 0 1.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1876 Cds-CtCs_Cds-CdCd CsJ-CsCsCs 300-1500 1.65E+03 2.41 0 0.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1877 Cds-CtCs_Cds-CdCd CsJ-CdHH 300-1500 2.88E+04 2.41 0 9.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1878 Cds-CtCs_Cds-CdCd CsJ-CdCsH 300-1500 5.02E+03 2.41 0 9.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1879 Cds-CtCs_Cds-CdCd CsJ-CdCsCs 300-1500 6.50E+02 2.41 0 8.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1880 Cds-CtCs_Cds-CdCd CsJ-CdCdH 300-1500 1.01E+04 2.41 0 14.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1881 Cds-CtCs_Cds-CdCd CsJ-CdCdCs 300-1500 3.46E+03 2.41 0 14.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1882 Cds-CtCs_Cds-CdCd CsJ-CbHH 300-1500 1.34E+04 2.41 0 7.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1883 Cds-CtCs_Cds-CdCd CsJ-CbCsH 300-1500 3.29E+03 2.41 0 6.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1884 Cds-CtCs_Cds-CdCd CsJ-CbCsCs 300-1500 5.26E+02 2.41 0 6.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1885 Cds-CtCs_Cds-CdCd CsJ-CtHH 300-1500 1.24E+04 2.41 0 7.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1886 Cds-CtCs_Cds-CdCd CsJ-CtCsH 300-1500 2.79E+03 2.41 0 6.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1887 Cds-CtCs_Cds-CdCd CsJ-CtCsCs 300-1500 7.11E+02 2.41 0 6.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1888 Cds-CtCs_Cds-CdCd CdsJ-H 300-1500 1.87E+04 2.41 0 -0.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1889 Cds-CtCs_Cds-CdCd CdsJ-Cs 300-1500 9.91E+03 2.41 0 -0.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1890 Cds-CtCs_Cds-CdCd CbJ 300-1500 2.95E+04 2.41 0 -2.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1891 Cds-CtCs_Cds-CbH CsJ-HHH 300-1500 2.58E+03 2.41 0 6.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1892 Cds-CtCs_Cds-CbH CsJ-CsHH 300-1500 2.62E+02 2.41 0 5.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1893 Cds-CtCs_Cds-CbH CsJ-CsCsH 300-1500 2.10E+02 2.41 0 4.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1894 Cds-CtCs_Cds-CbH CsJ-CsCsCs 300-1500 1.56E+02 2.41 0 3.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1895 Cds-CtCs_Cds-CbH CsJ-CdHH 300-1500 2.72E+03 2.41 0 12.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1896 Cds-CtCs_Cds-CbH CsJ-CdCsH 300-1500 4.74E+02 2.41 0 12.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1897 Cds-CtCs_Cds-CbH CsJ-CdCsCs 300-1500 6.13E+01 2.41 0 11.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1898 Cds-CtCs_Cds-CbH CsJ-CdCdH 300-1500 9.56E+02 2.41 0 17.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1899 Cds-CtCs_Cds-CbH CsJ-CdCdCs 300-1500 3.26E+02 2.41 0 17.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1900 Cds-CtCs_Cds-CbH CsJ-CbHH 300-1500 1.26E+03 2.41 0 10.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1901 Cds-CtCs_Cds-CbH CsJ-CbCsH 300-1500 3.10E+02 2.41 0 9.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1902 Cds-CtCs_Cds-CbH CsJ-CbCsCs 300-1500 4.97E+01 2.41 0 9.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1903 Cds-CtCs_Cds-CbH CsJ-CtHH 300-1500 1.17E+03 2.41 0 10.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1904 Cds-CtCs_Cds-CbH CsJ-CtCsH 300-1500 2.63E+02 2.41 0 9.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1905 Cds-CtCs_Cds-CbH CsJ-CtCsCs 300-1500 6.71E+01 2.41 0 9.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1906 Cds-CtCs_Cds-CbH CdsJ-H 300-1500 1.76E+03 2.41 0 2.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1907 Cds-CtCs_Cds-CbH CdsJ-Cs 300-1500 9.36E+02 2.41 0 2.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1908 Cds-CtCs_Cds-CbH CbJ 300-1500 2.79E+03 2.41 0 0.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1909 Cds-CtCs_Cds-CbCs CsJ-HHH 300-1500 5.47E+03 2.41 0 6.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1910 Cds-CtCs_Cds-CbCs CsJ-CsHH 300-1500 5.56E+02 2.41 0 5.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1911 Cds-CtCs_Cds-CbCs CsJ-CsCsH 300-1500 4.46E+02 2.41 0 4.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1912 Cds-CtCs_Cds-CbCs CsJ-CsCsCs 300-1500 3.30E+02 2.41 0 3.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1913 Cds-CtCs_Cds-CbCs CsJ-CdHH 300-1500 5.77E+03 2.41 0 12.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1914 Cds-CtCs_Cds-CbCs CsJ-CdCsH 300-1500 1.01E+03 2.41 0 12.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1915 Cds-CtCs_Cds-CbCs CsJ-CdCsCs 300-1500 1.30E+02 2.41 0 11.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1916 Cds-CtCs_Cds-CbCs CsJ-CdCdH 300-1500 2.03E+03 2.41 0 17.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1917 Cds-CtCs_Cds-CbCs CsJ-CdCdCs 300-1500 6.92E+02 2.41 0 17.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1918 Cds-CtCs_Cds-CbCs CsJ-CbHH 300-1500 2.68E+03 2.41 0 10.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1919 Cds-CtCs_Cds-CbCs CsJ-CbCsH 300-1500 6.58E+02 2.41 0 9.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1920 Cds-CtCs_Cds-CbCs CsJ-CbCsCs 300-1500 1.05E+02 2.41 0 9.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1921 Cds-CtCs_Cds-CbCs CsJ-CtHH 300-1500 2.47E+03 2.41 0 10.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1922 Cds-CtCs_Cds-CbCs CsJ-CtCsH 300-1500 5.58E+02 2.41 0 9.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1923 Cds-CtCs_Cds-CbCs CsJ-CtCsCs 300-1500 1.42E+02 2.41 0 8.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1924 Cds-CtCs_Cds-CbCs CdsJ-H 300-1500 3.74E+03 2.41 0 2.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1925 Cds-CtCs_Cds-CbCs CdsJ-Cs 300-1500 1.98E+03 2.41 0 2.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1926 Cds-CtCs_Cds-CbCs CbJ 300-1500 5.91E+03 2.41 0 0.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1927 Cds-CtCs_Cds-CtH CsJ-HHH 300-1500 1.02E+04 2.41 0 4.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1928 Cds-CtCs_Cds-CtH CsJ-CsHH 300-1500 1.04E+03 2.41 0 4.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1929 Cds-CtCs_Cds-CtH CsJ-CsCsH 300-1500 8.34E+02 2.41 0 2.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1930 Cds-CtCs_Cds-CtH CsJ-CsCsCs 300-1500 6.18E+02 2.41 0 1.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1931 Cds-CtCs_Cds-CtH CsJ-CdHH 300-1500 1.08E+04 2.41 0 10.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1932 Cds-CtCs_Cds-CtH CsJ-CdCsH 300-1500 1.88E+03 2.41 0 10.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1933 Cds-CtCs_Cds-CtH CsJ-CdCsCs 300-1500 2.43E+02 2.41 0 9.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1934 Cds-CtCs_Cds-CtH CsJ-CdCdH 300-1500 3.80E+03 2.41 0 15.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1935 Cds-CtCs_Cds-CtH CsJ-CdCdCs 300-1500 1.30E+03 2.41 0 15.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1936 Cds-CtCs_Cds-CtH CsJ-CbHH 300-1500 5.01E+03 2.41 0 8.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1937 Cds-CtCs_Cds-CtH CsJ-CbCsH 300-1500 1.23E+03 2.41 0 7.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1938 Cds-CtCs_Cds-CtH CsJ-CbCsCs 300-1500 1.97E+02 2.41 0 7.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1939 Cds-CtCs_Cds-CtH CsJ-CtHH 300-1500 4.63E+03 2.41 0 8.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1940 Cds-CtCs_Cds-CtH CsJ-CtCsH 300-1500 1.04E+03 2.41 0 7.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1941 Cds-CtCs_Cds-CtH CsJ-CtCsCs 300-1500 2.66E+02 2.41 0 7.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1942 Cds-CtCs_Cds-CtH CdsJ-H 300-1500 7.01E+03 2.41 0 0.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1943 Cds-CtCs_Cds-CtH CdsJ-Cs 300-1500 3.72E+03 2.41 0 0.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1944 Cds-CtCs_Cds-CtH CbJ 300-1500 1.11E+04 2.41 0 -1.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1945 Cds-CtCs_Cds-CtCs CsJ-HHH 300-1500 1.05E+04 2.41 0 4.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1946 Cds-CtCs_Cds-CtCs CsJ-CsHH 300-1500 1.06E+03 2.41 0 3.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1947 Cds-CtCs_Cds-CtCs CsJ-CsCsH 300-1500 8.54E+02 2.41 0 2.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1948 Cds-CtCs_Cds-CtCs CsJ-CsCsCs 300-1500 6.33E+02 2.41 0 1.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1949 Cds-CtCs_Cds-CtCs CsJ-CdHH 300-1500 1.11E+04 2.41 0 10.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1950 Cds-CtCs_Cds-CtCs CsJ-CdCsH 300-1500 1.93E+03 2.41 0 10.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1951 Cds-CtCs_Cds-CtCs CsJ-CdCsCs 300-1500 2.49E+02 2.41 0 9.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1952 Cds-CtCs_Cds-CtCs CsJ-CdCdH 300-1500 3.89E+03 2.41 0 15.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1953 Cds-CtCs_Cds-CtCs CsJ-CdCdCs 300-1500 1.33E+03 2.41 0 15.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1954 Cds-CtCs_Cds-CtCs CsJ-CbHH 300-1500 5.13E+03 2.41 0 8.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1955 Cds-CtCs_Cds-CtCs CsJ-CbCsH 300-1500 1.26E+03 2.41 0 7.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1956 Cds-CtCs_Cds-CtCs CsJ-CbCsCs 300-1500 2.02E+02 2.41 0 7.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1957 Cds-CtCs_Cds-CtCs CsJ-CtHH 300-1500 4.74E+03 2.41 0 8.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1958 Cds-CtCs_Cds-CtCs CsJ-CtCsH 300-1500 1.07E+03 2.41 0 7.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1959 Cds-CtCs_Cds-CtCs CsJ-CtCsCs 300-1500 2.73E+02 2.41 0 7.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1960 Cds-CtCs_Cds-CtCs CdsJ-H 300-1500 7.17E+03 2.41 0 0.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1961 Cds-CtCs_Cds-CtCs CdsJ-Cs 300-1500 3.80E+03 2.41 0 0.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1962 Cds-CtCs_Cds-CtCs CbJ 300-1500 1.13E+04 2.41 0 -1.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1963 Cds-CtCs_Ca CsJ-HHH 300-1500 7.57E+03 2.41 0 8.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1964 Cds-CtCs_Ca CsJ-CsHH 300-1500 7.69E+02 2.41 0 7.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1965 Cds-CtCs_Ca CsJ-CsCsH 300-1500 6.16E+02 2.41 0 6.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1966 Cds-CtCs_Ca CsJ-CsCsCs 300-1500 4.57E+02 2.41 0 5.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1967 Cds-CtCs_Ca CsJ-CdHH 300-1500 7.98E+03 2.41 0 14.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1968 Cds-CtCs_Ca CsJ-CdCsH 300-1500 1.39E+03 2.41 0 14.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1969 Cds-CtCs_Ca CsJ-CdCsCs 300-1500 1.80E+02 2.41 0 13.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1970 Cds-CtCs_Ca CsJ-CdCdH 300-1500 2.80E+03 2.41 0 19.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1971 Cds-CtCs_Ca CsJ-CdCdCs 300-1500 9.57E+02 2.41 0 19.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1972 Cds-CtCs_Ca CsJ-CbHH 300-1500 3.70E+03 2.41 0 12.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1973 Cds-CtCs_Ca CsJ-CbCsH 300-1500 9.11E+02 2.41 0 11.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1974 Cds-CtCs_Ca CsJ-CbCsCs 300-1500 1.46E+02 2.41 0 11.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1975 Cds-CtCs_Ca CsJ-CtHH 300-1500 3.42E+03 2.41 0 12.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1976 Cds-CtCs_Ca CsJ-CtCsH 300-1500 7.72E+02 2.41 0 11.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1977 Cds-CtCs_Ca CsJ-CtCsCs 300-1500 1.97E+02 2.41 0 11.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1978 Cds-CtCs_Ca CdsJ-H 300-1500 5.18E+03 2.41 0 4.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1979 Cds-CtCs_Ca CdsJ-Cs 300-1500 2.74E+03 2.41 0 4.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1980 Cds-CtCs_Ca CbJ 300-1500 8.18E+03 2.41 0 2.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -1981 Ca_Cds-HH CsJ-HHH 300-1500 3.90E+04 2.41 0 7.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1982 Ca_Cds-HH CsJ-CsHH 300-1500 3.96E+03 2.41 0 7.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1983 Ca_Cds-HH CsJ-CsCsH 300-1500 3.18E+03 2.41 0 6.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1984 Ca_Cds-HH CsJ-CsCsCs 300-1500 2.35E+03 2.41 0 4.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1985 Ca_Cds-HH CsJ-CdHH 300-1500 4.12E+04 2.41 0 14.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1986 Ca_Cds-HH CsJ-CdCsH 300-1500 7.17E+03 2.41 0 13.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1987 Ca_Cds-HH CsJ-CdCsCs 300-1500 9.27E+02 2.41 0 12.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1988 Ca_Cds-HH CsJ-CdCdH 300-1500 1.45E+04 2.41 0 18.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1989 Ca_Cds-HH CsJ-CdCdCs 300-1500 4.94E+03 2.41 0 18.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1990 Ca_Cds-HH CsJ-CbHH 300-1500 1.91E+04 2.41 0 11.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1991 Ca_Cds-HH CsJ-CbCsH 300-1500 4.69E+03 2.41 0 11.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1992 Ca_Cds-HH CsJ-CbCsCs 300-1500 7.51E+02 2.41 0 10.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1993 Ca_Cds-HH CsJ-CtHH 300-1500 1.76E+04 2.41 0 11.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1994 Ca_Cds-HH CsJ-CtCsH 300-1500 3.98E+03 2.41 0 11.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1995 Ca_Cds-HH CsJ-CtCsCs 300-1500 1.01E+03 2.41 0 10.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1996 Ca_Cds-HH CdsJ-H 300-1500 2.67E+04 2.41 0 3.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1997 Ca_Cds-HH CdsJ-Cs 300-1500 1.42E+04 2.41 0 3.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1998 Ca_Cds-HH CbJ 300-1500 4.22E+04 2.41 0 1.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -1999 Ca_Cds-CsH CsJ-HHH 300-1500 4.47E+04 2.41 0 6.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2000 Ca_Cds-CsH CsJ-CsHH 300-1500 4.54E+03 2.41 0 6.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2001 Ca_Cds-CsH CsJ-CsCsH 300-1500 3.64E+03 2.41 0 4.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2002 Ca_Cds-CsH CsJ-CsCsCs 300-1500 2.70E+03 2.41 0 3.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2003 Ca_Cds-CsH CsJ-CdHH 300-1500 4.72E+04 2.41 0 13.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2004 Ca_Cds-CsH CsJ-CdCsH 300-1500 8.22E+03 2.41 0 12.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2005 Ca_Cds-CsH CsJ-CdCsCs 300-1500 1.06E+03 2.41 0 11.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2006 Ca_Cds-CsH CsJ-CdCdH 300-1500 1.66E+04 2.41 0 17.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2007 Ca_Cds-CsH CsJ-CdCdCs 300-1500 5.66E+03 2.41 0 17.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2008 Ca_Cds-CsH CsJ-CbHH 300-1500 2.19E+04 2.41 0 10.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2009 Ca_Cds-CsH CsJ-CbCsH 300-1500 5.38E+03 2.41 0 10.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2010 Ca_Cds-CsH CsJ-CbCsCs 300-1500 8.61E+02 2.41 0 9.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2011 Ca_Cds-CsH CsJ-CtHH 300-1500 2.02E+04 2.41 0 10.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2012 Ca_Cds-CsH CsJ-CtCsH 300-1500 4.56E+03 2.41 0 9.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2013 Ca_Cds-CsH CsJ-CtCsCs 300-1500 1.16E+03 2.41 0 9.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2014 Ca_Cds-CsH CdsJ-H 300-1500 3.06E+04 2.41 0 2.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2015 Ca_Cds-CsH CdsJ-Cs 300-1500 1.62E+04 2.41 0 2.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2016 Ca_Cds-CsH CbJ 300-1500 4.83E+04 2.41 0 0.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2017 Ca_Cds-CsCs CsJ-HHH 300-1500 5.73E+04 2.41 0 5.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2018 Ca_Cds-CsCs CsJ-CsHH 300-1500 5.82E+03 2.41 0 5.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2019 Ca_Cds-CsCs CsJ-CsCsH 300-1500 4.67E+03 2.41 0 4.08 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2020 Ca_Cds-CsCs CsJ-CsCsCs 300-1500 3.46E+03 2.41 0 2.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2021 Ca_Cds-CsCs CsJ-CdHH 300-1500 6.05E+04 2.41 0 12.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2022 Ca_Cds-CsCs CsJ-CdCsH 300-1500 1.05E+04 2.41 0 11.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2023 Ca_Cds-CsCs CsJ-CdCsCs 300-1500 1.36E+03 2.41 0 10.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2024 Ca_Cds-CsCs CsJ-CdCdH 300-1500 2.12E+04 2.41 0 16.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2025 Ca_Cds-CsCs CsJ-CdCdCs 300-1500 7.25E+03 2.41 0 16.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2026 Ca_Cds-CsCs CsJ-CbHH 300-1500 2.80E+04 2.41 0 9.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2027 Ca_Cds-CsCs CsJ-CbCsH 300-1500 6.89E+03 2.41 0 9.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2028 Ca_Cds-CsCs CsJ-CbCsCs 300-1500 1.10E+03 2.41 0 8.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2029 Ca_Cds-CsCs CsJ-CtHH 300-1500 2.59E+04 2.41 0 9.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2030 Ca_Cds-CsCs CsJ-CtCsH 300-1500 5.84E+03 2.41 0 9.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2031 Ca_Cds-CsCs CsJ-CtCsCs 300-1500 1.49E+03 2.41 0 8.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2032 Ca_Cds-CsCs CdsJ-H 300-1500 3.92E+04 2.41 0 2.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2033 Ca_Cds-CsCs CdsJ-Cs 300-1500 2.08E+04 2.41 0 1.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2034 Ca_Cds-CsCs CbJ 300-1500 6.19E+04 2.41 0 -0.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -2035 Ct-H_Ct-H CsJ-HHH 300-1500 6.69E+04 2.41 0 6.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2036 Ct-H_Ct-H CsJ-CsHH 300-1500 6.80E+03 2.41 0 6.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2037 Ct-H_Ct-H CsJ-CsCsH 300-1500 5.45E+03 2.41 0 5.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2038 Ct-H_Ct-H CsJ-CsCsCs 300-1500 4.04E+03 2.41 0 3.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2039 Ct-H_Ct-H CsJ-CdHH 300-1500 7.06E+04 2.41 0 13.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2040 Ct-H_Ct-H CsJ-CdCsH 300-1500 1.23E+04 2.41 0 12.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2041 Ct-H_Ct-H CsJ-CdCsCs 300-1500 1.59E+03 2.41 0 11.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2042 Ct-H_Ct-H CsJ-CdCdH 300-1500 2.48E+04 2.41 0 17.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2043 Ct-H_Ct-H CsJ-CdCdCs 300-1500 8.47E+03 2.41 0 17.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2044 Ct-H_Ct-H CsJ-CbHH 300-1500 3.28E+04 2.41 0 10.74 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2045 Ct-H_Ct-H CsJ-CbCsH 300-1500 8.06E+03 2.41 0 10.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2046 Ct-H_Ct-H CsJ-CbCsCs 300-1500 1.29E+03 2.41 0 9.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2047 Ct-H_Ct-H CsJ-CtHH 300-1500 3.03E+04 2.41 0 10.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2048 Ct-H_Ct-H CsJ-CtCsH 300-1500 6.83E+03 2.41 0 10.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2049 Ct-H_Ct-H CsJ-CtCsCs 300-1500 1.74E+03 2.41 0 9.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2050 Ct-H_Ct-H CdsJ-H 300-1500 4.58E+04 2.41 0 2.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2051 Ct-H_Ct-H CdsJ-Cs 300-1500 2.43E+04 2.41 0 2.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2052 Ct-H_Ct-H CbJ 300-1500 7.23E+04 2.41 0 0.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2053 Ct-H_Ct-Cs CsJ-HHH 300-1500 1.78E+05 2.41 0 7.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2054 Ct-H_Ct-Cs CsJ-CsHH 300-1500 1.81E+04 2.41 0 6.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2055 Ct-H_Ct-Cs CsJ-CsCsH 300-1500 1.45E+04 2.41 0 5.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2056 Ct-H_Ct-Cs CsJ-CsCsCs 300-1500 1.07E+04 2.41 0 4.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2057 Ct-H_Ct-Cs CsJ-CdHH 300-1500 1.88E+05 2.41 0 13.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2058 Ct-H_Ct-Cs CsJ-CdCsH 300-1500 3.27E+04 2.41 0 13.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2059 Ct-H_Ct-Cs CsJ-CdCsCs 300-1500 4.22E+03 2.41 0 12.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2060 Ct-H_Ct-Cs CsJ-CdCdH 300-1500 6.59E+04 2.41 0 18.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2061 Ct-H_Ct-Cs CsJ-CdCdCs 300-1500 2.25E+04 2.41 0 17.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2062 Ct-H_Ct-Cs CsJ-CbHH 300-1500 8.70E+04 2.41 0 11.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2063 Ct-H_Ct-Cs CsJ-CbCsH 300-1500 2.14E+04 2.41 0 10.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2064 Ct-H_Ct-Cs CsJ-CbCsCs 300-1500 3.42E+03 2.41 0 9.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2065 Ct-H_Ct-Cs CsJ-CtHH 300-1500 8.04E+04 2.41 0 10.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2066 Ct-H_Ct-Cs CsJ-CtCsH 300-1500 1.81E+04 2.41 0 10.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2067 Ct-H_Ct-Cs CsJ-CtCsCs 300-1500 4.62E+03 2.41 0 9.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2068 Ct-H_Ct-Cs CdsJ-H 300-1500 1.22E+05 2.41 0 3.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2069 Ct-H_Ct-Cs CdsJ-Cs 300-1500 6.45E+04 2.41 0 3.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2070 Ct-H_Ct-Cs CbJ 300-1500 1.92E+05 2.41 0 0.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2071 Ct-H_Ct-Cd CsJ-HHH 300-1500 2.17E+04 2.41 0 3.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2072 Ct-H_Ct-Cd CsJ-CsHH 300-1500 2.21E+03 2.41 0 3.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2073 Ct-H_Ct-Cd CsJ-CsCsH 300-1500 1.77E+03 2.41 0 2.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2074 Ct-H_Ct-Cd CsJ-CsCsCs 300-1500 1.31E+03 2.41 0 0.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2075 Ct-H_Ct-Cd CsJ-CdHH 300-1500 2.29E+04 2.41 0 10.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2076 Ct-H_Ct-Cd CsJ-CdCsH 300-1500 4.00E+03 2.41 0 10.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2077 Ct-H_Ct-Cd CsJ-CdCsCs 300-1500 5.17E+02 2.41 0 9.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2078 Ct-H_Ct-Cd CsJ-CdCdH 300-1500 8.06E+03 2.41 0 14.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2079 Ct-H_Ct-Cd CsJ-CdCdCs 300-1500 2.75E+03 2.41 0 14.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2080 Ct-H_Ct-Cd CsJ-CbHH 300-1500 1.06E+04 2.41 0 7.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2081 Ct-H_Ct-Cd CsJ-CbCsH 300-1500 2.62E+03 2.41 0 7.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2082 Ct-H_Ct-Cd CsJ-CbCsCs 300-1500 4.19E+02 2.41 0 6.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2083 Ct-H_Ct-Cd CsJ-CtHH 300-1500 9.83E+03 2.41 0 7.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2084 Ct-H_Ct-Cd CsJ-CtCsH 300-1500 2.22E+03 2.41 0 7.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2085 Ct-H_Ct-Cd CsJ-CtCsCs 300-1500 5.66E+02 2.41 0 6.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2086 Ct-H_Ct-Cd CdsJ-H 300-1500 1.49E+04 2.41 0 0.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2087 Ct-H_Ct-Cd CdsJ-Cs 300-1500 7.89E+03 2.41 0 -0.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2088 Ct-H_Ct-Cd CbJ 300-1500 2.35E+04 2.41 0 -2.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2089 Ct-H_Ct-Ct CsJ-HHH 300-1500 2.89E+05 2.41 0 3.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2090 Ct-H_Ct-Ct CsJ-CsHH 300-1500 2.93E+04 2.41 0 2.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2091 Ct-H_Ct-Ct CsJ-CsCsH 300-1500 2.35E+04 2.41 0 1.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2092 Ct-H_Ct-Ct CsJ-CsCsCs 300-1500 1.74E+04 2.41 0 0.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2093 Ct-H_Ct-Ct CsJ-CdHH 300-1500 3.05E+05 2.41 0 9.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2094 Ct-H_Ct-Ct CsJ-CdCsH 300-1500 5.31E+04 2.41 0 9.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2095 Ct-H_Ct-Ct CsJ-CdCsCs 300-1500 6.86E+03 2.41 0 8.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2096 Ct-H_Ct-Ct CsJ-CdCdH 300-1500 1.07E+05 2.41 0 14.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2097 Ct-H_Ct-Ct CsJ-CdCdCs 300-1500 3.65E+04 2.41 0 14.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2098 Ct-H_Ct-Ct CsJ-CbHH 300-1500 1.41E+05 2.41 0 7.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2099 Ct-H_Ct-Ct CsJ-CbCsH 300-1500 3.47E+04 2.41 0 6.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2100 Ct-H_Ct-Ct CsJ-CbCsCs 300-1500 5.56E+03 2.41 0 6.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2101 Ct-H_Ct-Ct CsJ-CtHH 300-1500 1.31E+05 2.41 0 7.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2102 Ct-H_Ct-Ct CsJ-CtCsH 300-1500 2.94E+04 2.41 0 6.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2103 Ct-H_Ct-Ct CsJ-CtCsCs 300-1500 7.51E+03 2.41 0 5.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2104 Ct-H_Ct-Ct CdsJ-H 300-1500 1.97E+05 2.41 0 -0.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2105 Ct-H_Ct-Ct CdsJ-Cs 300-1500 1.05E+05 2.41 0 -0.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2106 Ct-H_Ct-Ct CbJ 300-1500 3.12E+05 2.41 0 -2.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2107 Ct-Cs_Ct-H CsJ-HHH 300-1500 1.38E+05 2.41 0 8.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2108 Ct-Cs_Ct-H CsJ-CsHH 300-1500 1.40E+04 2.41 0 8.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2109 Ct-Cs_Ct-H CsJ-CsCsH 300-1500 1.13E+04 2.41 0 7.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2110 Ct-Cs_Ct-H CsJ-CsCsCs 300-1500 8.35E+03 2.41 0 5.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2111 Ct-Cs_Ct-H CsJ-CdHH 300-1500 1.46E+05 2.41 0 15.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2112 Ct-Cs_Ct-H CsJ-CdCsH 300-1500 2.54E+04 2.41 0 14.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2113 Ct-Cs_Ct-H CsJ-CdCsCs 300-1500 3.29E+03 2.41 0 13.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2114 Ct-Cs_Ct-H CsJ-CdCdH 300-1500 5.13E+04 2.41 0 19.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2115 Ct-Cs_Ct-H CsJ-CdCdCs 300-1500 1.75E+04 2.41 0 19.45 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2116 Ct-Cs_Ct-H CsJ-CbHH 300-1500 6.77E+04 2.41 0 12.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2117 Ct-Cs_Ct-H CsJ-CbCsH 300-1500 1.66E+04 2.41 0 12.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2118 Ct-Cs_Ct-H CsJ-CbCsCs 300-1500 2.66E+03 2.41 0 11.53 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2119 Ct-Cs_Ct-H CsJ-CtHH 300-1500 6.26E+04 2.41 0 12.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2120 Ct-Cs_Ct-H CsJ-CtCsH 300-1500 1.41E+04 2.41 0 12.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2121 Ct-Cs_Ct-H CsJ-CtCsCs 300-1500 3.60E+03 2.41 0 11.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2122 Ct-Cs_Ct-H CdsJ-H 300-1500 9.46E+04 2.41 0 4.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2123 Ct-Cs_Ct-H CdsJ-Cs 300-1500 5.02E+04 2.41 0 4.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2124 Ct-Cs_Ct-H CbJ 300-1500 1.50E+05 2.41 0 2.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2125 Ct-Cs_Ct-Cs CsJ-HHH 300-1500 3.67E+05 2.41 0 9.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2126 Ct-Cs_Ct-Cs CsJ-CsHH 300-1500 3.73E+04 2.41 0 8.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2127 Ct-Cs_Ct-Cs CsJ-CsCsH 300-1500 2.99E+04 2.41 0 7.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2128 Ct-Cs_Ct-Cs CsJ-CsCsCs 300-1500 2.22E+04 2.41 0 6.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2129 Ct-Cs_Ct-Cs CsJ-CdHH 300-1500 3.88E+05 2.41 0 15.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2130 Ct-Cs_Ct-Cs CsJ-CdCsH 300-1500 6.75E+04 2.41 0 15.28 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2131 Ct-Cs_Ct-Cs CsJ-CdCsCs 300-1500 8.73E+03 2.41 0 14.31 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2132 Ct-Cs_Ct-Cs CsJ-CdCdH 300-1500 1.36E+05 2.41 0 20.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2133 Ct-Cs_Ct-Cs CsJ-CdCdCs 300-1500 4.65E+04 2.41 0 19.88 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2134 Ct-Cs_Ct-Cs CsJ-CbHH 300-1500 1.80E+05 2.41 0 13.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2135 Ct-Cs_Ct-Cs CsJ-CbCsH 300-1500 4.42E+04 2.41 0 12.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2136 Ct-Cs_Ct-Cs CsJ-CbCsCs 300-1500 7.07E+03 2.41 0 11.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2137 Ct-Cs_Ct-Cs CsJ-CtHH 300-1500 1.66E+05 2.41 0 12.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2138 Ct-Cs_Ct-Cs CsJ-CtCsH 300-1500 3.75E+04 2.41 0 12.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2139 Ct-Cs_Ct-Cs CsJ-CtCsCs 300-1500 9.56E+03 2.41 0 11.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2140 Ct-Cs_Ct-Cs CdsJ-H 300-1500 2.51E+05 2.41 0 5.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2141 Ct-Cs_Ct-Cs CdsJ-Cs 300-1500 1.33E+05 2.41 0 5.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2142 Ct-Cs_Ct-Cs CbJ 300-1500 3.97E+05 2.41 0 3.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2143 Ct-Cs_Ct-Cd CsJ-HHH 300-1500 4.49E+04 2.41 0 5.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2144 Ct-Cs_Ct-Cd CsJ-CsHH 300-1500 4.56E+03 2.41 0 5.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2145 Ct-Cs_Ct-Cd CsJ-CsCsH 300-1500 3.66E+03 2.41 0 4.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2146 Ct-Cs_Ct-Cd CsJ-CsCsCs 300-1500 2.71E+03 2.41 0 2.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2147 Ct-Cs_Ct-Cd CsJ-CdHH 300-1500 4.74E+04 2.41 0 12.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2148 Ct-Cs_Ct-Cd CsJ-CdCsH 300-1500 8.26E+03 2.41 0 12.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2149 Ct-Cs_Ct-Cd CsJ-CdCsCs 300-1500 1.07E+03 2.41 0 11.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2150 Ct-Cs_Ct-Cd CsJ-CdCdH 300-1500 1.67E+04 2.41 0 16.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2151 Ct-Cs_Ct-Cd CsJ-CdCdCs 300-1500 5.68E+03 2.41 0 16.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2152 Ct-Cs_Ct-Cd CsJ-CbHH 300-1500 2.20E+04 2.41 0 9.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2153 Ct-Cs_Ct-Cd CsJ-CbCsH 300-1500 5.41E+03 2.41 0 9.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2154 Ct-Cs_Ct-Cd CsJ-CbCsCs 300-1500 8.65E+02 2.41 0 8.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2155 Ct-Cs_Ct-Cd CsJ-CtHH 300-1500 2.03E+04 2.41 0 9.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2156 Ct-Cs_Ct-Cd CsJ-CtCsH 300-1500 4.58E+03 2.41 0 9.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2157 Ct-Cs_Ct-Cd CsJ-CtCsCs 300-1500 1.17E+03 2.41 0 8.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2158 Ct-Cs_Ct-Cd CdsJ-H 300-1500 3.07E+04 2.41 0 2.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2159 Ct-Cs_Ct-Cd CdsJ-Cs 300-1500 1.63E+04 2.41 0 1.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2160 Ct-Cs_Ct-Cd CbJ 300-1500 4.86E+04 2.41 0 -0.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2161 Ct-Cs_Ct-Ct CsJ-HHH 300-1500 5.97E+05 2.41 0 5.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2162 Ct-Cs_Ct-Ct CsJ-CsHH 300-1500 6.06E+04 2.41 0 4.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2163 Ct-Cs_Ct-Ct CsJ-CsCsH 300-1500 4.86E+04 2.41 0 3.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2164 Ct-Cs_Ct-Ct CsJ-CsCsCs 300-1500 3.60E+04 2.41 0 2.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2165 Ct-Cs_Ct-Ct CsJ-CdHH 300-1500 6.30E+05 2.41 0 11.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2166 Ct-Cs_Ct-Ct CsJ-CdCsH 300-1500 1.10E+05 2.41 0 11.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2167 Ct-Cs_Ct-Ct CsJ-CdCsCs 300-1500 1.42E+04 2.41 0 10.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2168 Ct-Cs_Ct-Ct CsJ-CdCdH 300-1500 2.21E+05 2.41 0 16.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2169 Ct-Cs_Ct-Ct CsJ-CdCdCs 300-1500 7.55E+04 2.41 0 16.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2170 Ct-Cs_Ct-Ct CsJ-CbHH 300-1500 2.92E+05 2.41 0 9.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2171 Ct-Cs_Ct-Ct CsJ-CbCsH 300-1500 7.18E+04 2.41 0 8.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2172 Ct-Cs_Ct-Ct CsJ-CbCsCs 300-1500 1.15E+04 2.41 0 8.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2173 Ct-Cs_Ct-Ct CsJ-CtHH 300-1500 2.70E+05 2.41 0 9.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2174 Ct-Cs_Ct-Ct CsJ-CtCsH 300-1500 6.08E+04 2.41 0 8.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2175 Ct-Cs_Ct-Ct CsJ-CtCsCs 300-1500 1.55E+04 2.41 0 7.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2176 Ct-Cs_Ct-Ct CdsJ-H 300-1500 4.08E+05 2.41 0 1.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2177 Ct-Cs_Ct-Ct CdsJ-Cs 300-1500 2.16E+05 2.41 0 1.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2178 Ct-Cs_Ct-Ct CbJ 300-1500 6.45E+05 2.41 0 -0.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2179 Ct-Cd_Ct-H CsJ-HHH 300-1500 3.69E+04 2.41 0 8.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2180 Ct-Cd_Ct-H CsJ-CsHH 300-1500 3.75E+03 2.41 0 8.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2181 Ct-Cd_Ct-H CsJ-CsCsH 300-1500 3.01E+03 2.41 0 6.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2182 Ct-Cd_Ct-H CsJ-CsCsCs 300-1500 2.23E+03 2.41 0 5.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2183 Ct-Cd_Ct-H CsJ-CdHH 300-1500 3.90E+04 2.41 0 14.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2184 Ct-Cd_Ct-H CsJ-CdCsH 300-1500 6.79E+03 2.41 0 14.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2185 Ct-Cd_Ct-H CsJ-CdCsCs 300-1500 8.78E+02 2.41 0 13.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2186 Ct-Cd_Ct-H CsJ-CdCdH 300-1500 1.37E+04 2.41 0 19.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2187 Ct-Cd_Ct-H CsJ-CdCdCs 300-1500 4.67E+03 2.41 0 19.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2188 Ct-Cd_Ct-H CsJ-CbHH 300-1500 1.81E+04 2.41 0 12.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2189 Ct-Cd_Ct-H CsJ-CbCsH 300-1500 4.44E+03 2.41 0 11.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2190 Ct-Cd_Ct-H CsJ-CbCsCs 300-1500 7.11E+02 2.41 0 11.36 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2191 Ct-Cd_Ct-H CsJ-CtHH 300-1500 1.67E+04 2.41 0 12.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2192 Ct-Cd_Ct-H CsJ-CtCsH 300-1500 3.77E+03 2.41 0 11.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2193 Ct-Cd_Ct-H CsJ-CtCsCs 300-1500 9.61E+02 2.41 0 11.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2194 Ct-Cd_Ct-H CdsJ-H 300-1500 2.53E+04 2.41 0 4.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2195 Ct-Cd_Ct-H CdsJ-Cs 300-1500 1.34E+04 2.41 0 4.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2196 Ct-Cd_Ct-H CbJ 300-1500 3.99E+04 2.41 0 2.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2197 Ct-Cd_Ct-Cs CsJ-HHH 300-1500 9.81E+04 2.41 0 9.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2198 Ct-Cd_Ct-Cs CsJ-CsHH 300-1500 9.96E+03 2.41 0 8.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2199 Ct-Cd_Ct-Cs CsJ-CsCsH 300-1500 7.99E+03 2.41 0 7.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2200 Ct-Cd_Ct-Cs CsJ-CsCsCs 300-1500 5.92E+03 2.41 0 5.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2201 Ct-Cd_Ct-Cs CsJ-CdHH 300-1500 1.03E+05 2.41 0 15.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2202 Ct-Cd_Ct-Cs CsJ-CdCsH 300-1500 1.80E+04 2.41 0 15.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2203 Ct-Cd_Ct-Cs CsJ-CdCsCs 300-1500 2.33E+03 2.41 0 14.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2204 Ct-Cd_Ct-Cs CsJ-CdCdH 300-1500 3.63E+04 2.41 0 19.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2205 Ct-Cd_Ct-Cs CsJ-CdCdCs 300-1500 1.24E+04 2.41 0 19.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2206 Ct-Cd_Ct-Cs CsJ-CbHH 300-1500 4.80E+04 2.41 0 13.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2207 Ct-Cd_Ct-Cs CsJ-CbCsH 300-1500 1.18E+04 2.41 0 12.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2208 Ct-Cd_Ct-Cs CsJ-CbCsCs 300-1500 1.89E+03 2.41 0 11.79 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2209 Ct-Cd_Ct-Cs CsJ-CtHH 300-1500 4.44E+04 2.41 0 12.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2210 Ct-Cd_Ct-Cs CsJ-CtCsH 300-1500 1.00E+04 2.41 0 12.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2211 Ct-Cd_Ct-Cs CsJ-CtCsCs 300-1500 2.55E+03 2.41 0 11.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2212 Ct-Cd_Ct-Cs CdsJ-H 300-1500 6.71E+04 2.41 0 5.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2213 Ct-Cd_Ct-Cs CdsJ-Cs 300-1500 3.56E+04 2.41 0 5.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2214 Ct-Cd_Ct-Cs CbJ 300-1500 1.06E+05 2.41 0 2.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2215 Ct-Cd_Ct-Cd CsJ-HHH 300-1500 1.20E+04 2.41 0 5.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2216 Ct-Cd_Ct-Cd CsJ-CsHH 300-1500 1.22E+03 2.41 0 5.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2217 Ct-Cd_Ct-Cd CsJ-CsCsH 300-1500 9.77E+02 2.41 0 4.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2218 Ct-Cd_Ct-Cd CsJ-CsCsCs 300-1500 7.24E+02 2.41 0 2.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2219 Ct-Cd_Ct-Cd CsJ-CdHH 300-1500 1.27E+04 2.41 0 12.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2220 Ct-Cd_Ct-Cd CsJ-CdCsH 300-1500 2.20E+03 2.41 0 11.87 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2221 Ct-Cd_Ct-Cd CsJ-CdCsCs 300-1500 2.85E+02 2.41 0 10.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2222 Ct-Cd_Ct-Cd CsJ-CdCdH 300-1500 4.45E+03 2.41 0 16.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2223 Ct-Cd_Ct-Cd CsJ-CdCdCs 300-1500 1.52E+03 2.41 0 16.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2224 Ct-Cd_Ct-Cd CsJ-CbHH 300-1500 5.87E+03 2.41 0 9.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2225 Ct-Cd_Ct-Cd CsJ-CbCsH 300-1500 1.44E+03 2.41 0 9.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2226 Ct-Cd_Ct-Cd CsJ-CbCsCs 300-1500 2.31E+02 2.41 0 8.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2227 Ct-Cd_Ct-Cd CsJ-CtHH 300-1500 5.43E+03 2.41 0 9.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2228 Ct-Cd_Ct-Cd CsJ-CtCsH 300-1500 1.22E+03 2.41 0 9.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2229 Ct-Cd_Ct-Cd CsJ-CtCsCs 300-1500 3.12E+02 2.41 0 8.39 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2230 Ct-Cd_Ct-Cd CdsJ-H 300-1500 8.21E+03 2.41 0 1.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2231 Ct-Cd_Ct-Cd CdsJ-Cs 300-1500 4.35E+03 2.41 0 1.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2232 Ct-Cd_Ct-Cd CbJ 300-1500 1.30E+04 2.41 0 -0.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2233 Ct-Cd_Ct-Ct CsJ-HHH 300-1500 1.59E+05 2.41 0 5.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2234 Ct-Cd_Ct-Ct CsJ-CsHH 300-1500 1.62E+04 2.41 0 4.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2235 Ct-Cd_Ct-Ct CsJ-CsCsH 300-1500 1.30E+04 2.41 0 3.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2236 Ct-Cd_Ct-Ct CsJ-CsCsCs 300-1500 9.61E+03 2.41 0 2.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2237 Ct-Cd_Ct-Ct CsJ-CdHH 300-1500 1.68E+05 2.41 0 11.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2238 Ct-Cd_Ct-Ct CsJ-CdCsH 300-1500 2.93E+04 2.41 0 11.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2239 Ct-Cd_Ct-Ct CsJ-CdCsCs 300-1500 3.79E+03 2.41 0 10.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2240 Ct-Cd_Ct-Ct CsJ-CdCdH 300-1500 5.90E+04 2.41 0 16.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2241 Ct-Cd_Ct-Ct CsJ-CdCdCs 300-1500 2.02E+04 2.41 0 15.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2242 Ct-Cd_Ct-Ct CsJ-CbHH 300-1500 7.79E+04 2.41 0 9.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2243 Ct-Cd_Ct-Ct CsJ-CbCsH 300-1500 1.92E+04 2.41 0 8.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2244 Ct-Cd_Ct-Ct CsJ-CbCsCs 300-1500 3.07E+03 2.41 0 7.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2245 Ct-Cd_Ct-Ct CsJ-CtHH 300-1500 7.20E+04 2.41 0 8.97 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2246 Ct-Cd_Ct-Ct CsJ-CtCsH 300-1500 1.62E+04 2.41 0 8.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2247 Ct-Cd_Ct-Ct CsJ-CtCsCs 300-1500 4.14E+03 2.41 0 7.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2248 Ct-Cd_Ct-Ct CdsJ-H 300-1500 1.09E+05 2.41 0 1.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2249 Ct-Cd_Ct-Ct CdsJ-Cs 300-1500 5.78E+04 2.41 0 1.21 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2250 Ct-Cd_Ct-Ct CbJ 300-1500 1.72E+05 2.41 0 -0.96 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2251 Ct-Ct_Ct-H CsJ-HHH 300-1500 1.02E+05 2.41 0 8.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2252 Ct-Ct_Ct-H CsJ-CsHH 300-1500 1.04E+04 2.41 0 7.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2253 Ct-Ct_Ct-H CsJ-CsCsH 300-1500 8.34E+03 2.41 0 6.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2254 Ct-Ct_Ct-H CsJ-CsCsCs 300-1500 6.18E+03 2.41 0 5.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2255 Ct-Ct_Ct-H CsJ-CdHH 300-1500 1.08E+05 2.41 0 14.62 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2256 Ct-Ct_Ct-H CsJ-CdCsH 300-1500 1.88E+04 2.41 0 14.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2257 Ct-Ct_Ct-H CsJ-CdCsCs 300-1500 2.43E+03 2.41 0 13.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2258 Ct-Ct_Ct-H CsJ-CdCdH 300-1500 3.79E+04 2.41 0 19.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2259 Ct-Ct_Ct-H CsJ-CdCdCs 300-1500 1.30E+04 2.41 0 18.98 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2260 Ct-Ct_Ct-H CsJ-CbHH 300-1500 5.01E+04 2.41 0 12.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2261 Ct-Ct_Ct-H CsJ-CbCsH 300-1500 1.23E+04 2.41 0 11.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2262 Ct-Ct_Ct-H CsJ-CbCsCs 300-1500 1.97E+03 2.41 0 11.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2263 Ct-Ct_Ct-H CsJ-CtHH 300-1500 4.63E+04 2.41 0 12.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2264 Ct-Ct_Ct-H CsJ-CtCsH 300-1500 1.04E+04 2.41 0 11.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2265 Ct-Ct_Ct-H CsJ-CtCsCs 300-1500 2.66E+03 2.41 0 10.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2266 Ct-Ct_Ct-H CdsJ-H 300-1500 7.00E+04 2.41 0 4.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2267 Ct-Ct_Ct-H CdsJ-Cs 300-1500 3.71E+04 2.41 0 4.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2268 Ct-Ct_Ct-H CbJ 300-1500 1.11E+05 2.41 0 2.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2269 Ct-Ct_Ct-Cs CsJ-HHH 300-1500 2.72E+05 2.41 0 8.76 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2270 Ct-Ct_Ct-Cs CsJ-CsHH 300-1500 2.76E+04 2.41 0 8.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2271 Ct-Ct_Ct-Cs CsJ-CsCsH 300-1500 2.21E+04 2.41 0 7.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2272 Ct-Ct_Ct-Cs CsJ-CsCsCs 300-1500 1.64E+04 2.41 0 5.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2273 Ct-Ct_Ct-Cs CsJ-CdHH 300-1500 2.87E+05 2.41 0 15.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2274 Ct-Ct_Ct-Cs CsJ-CdCsH 300-1500 5.00E+04 2.41 0 14.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2275 Ct-Ct_Ct-Cs CsJ-CdCsCs 300-1500 6.46E+03 2.41 0 13.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2276 Ct-Ct_Ct-Cs CsJ-CdCdH 300-1500 1.01E+05 2.41 0 19.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2277 Ct-Ct_Ct-Cs CsJ-CdCdCs 300-1500 3.44E+04 2.41 0 19.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2278 Ct-Ct_Ct-Cs CsJ-CbHH 300-1500 1.33E+05 2.41 0 12.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2279 Ct-Ct_Ct-Cs CsJ-CbCsH 300-1500 3.27E+04 2.41 0 12.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2280 Ct-Ct_Ct-Cs CsJ-CbCsCs 300-1500 5.23E+03 2.41 0 11.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2281 Ct-Ct_Ct-Cs CsJ-CtHH 300-1500 1.23E+05 2.41 0 12.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2282 Ct-Ct_Ct-Cs CsJ-CtCsH 300-1500 2.77E+04 2.41 0 12.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2283 Ct-Ct_Ct-Cs CsJ-CtCsCs 300-1500 7.07E+03 2.41 0 11.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2284 Ct-Ct_Ct-Cs CdsJ-H 300-1500 1.86E+05 2.41 0 4.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2285 Ct-Ct_Ct-Cs CdsJ-Cs 300-1500 9.86E+04 2.41 0 4.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2286 Ct-Ct_Ct-Cs CbJ 300-1500 2.94E+05 2.41 0 2.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2287 Ct-Ct_Ct-Cd CsJ-HHH 300-1500 3.33E+04 2.41 0 5.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2288 Ct-Ct_Ct-Cd CsJ-CsHH 300-1500 3.38E+03 2.41 0 4.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2289 Ct-Ct_Ct-Cd CsJ-CsCsH 300-1500 2.71E+03 2.41 0 3.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2290 Ct-Ct_Ct-Cd CsJ-CsCsCs 300-1500 2.01E+03 2.41 0 2.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2291 Ct-Ct_Ct-Cd CsJ-CdHH 300-1500 3.51E+04 2.41 0 11.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2292 Ct-Ct_Ct-Cd CsJ-CdCsH 300-1500 6.11E+03 2.41 0 11.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2293 Ct-Ct_Ct-Cd CsJ-CdCsCs 300-1500 7.90E+02 2.41 0 10.59 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2294 Ct-Ct_Ct-Cd CsJ-CdCdH 300-1500 1.23E+04 2.41 0 16.35 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2295 Ct-Ct_Ct-Cd CsJ-CdCdCs 300-1500 4.21E+03 2.41 0 16.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2296 Ct-Ct_Ct-Cd CsJ-CbHH 300-1500 1.63E+04 2.41 0 9.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2297 Ct-Ct_Ct-Cd CsJ-CbCsH 300-1500 4.00E+03 2.41 0 8.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2298 Ct-Ct_Ct-Cd CsJ-CbCsCs 300-1500 6.40E+02 2.41 0 8.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2299 Ct-Ct_Ct-Cd CsJ-CtHH 300-1500 1.50E+04 2.41 0 9.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2300 Ct-Ct_Ct-Cd CsJ-CtCsH 300-1500 3.39E+03 2.41 0 8.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2301 Ct-Ct_Ct-Cd CsJ-CtCsCs 300-1500 8.65E+02 2.41 0 8.09 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2302 Ct-Ct_Ct-Cd CdsJ-H 300-1500 2.27E+04 2.41 0 1.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2303 Ct-Ct_Ct-Cd CdsJ-Cs 300-1500 1.21E+04 2.41 0 1.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2304 Ct-Ct_Ct-Cd CbJ 300-1500 3.59E+04 2.41 0 -0.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2305 Ct-Ct_Ct-Ct CsJ-HHH 300-1500 4.41E+05 2.41 0 4.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2306 Ct-Ct_Ct-Ct CsJ-CsHH 300-1500 4.48E+04 2.41 0 4.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2307 Ct-Ct_Ct-Ct CsJ-CsCsH 300-1500 3.60E+04 2.41 0 3.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2308 Ct-Ct_Ct-Ct CsJ-CsCsCs 300-1500 2.66E+04 2.41 0 1.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2309 Ct-Ct_Ct-Ct CsJ-CdHH 300-1500 4.66E+05 2.41 0 11.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2310 Ct-Ct_Ct-Ct CsJ-CdCsH 300-1500 8.12E+04 2.41 0 11.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2311 Ct-Ct_Ct-Ct CsJ-CdCsCs 300-1500 1.05E+04 2.41 0 10.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2312 Ct-Ct_Ct-Ct CsJ-CdCdH 300-1500 1.64E+05 2.41 0 15.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2313 Ct-Ct_Ct-Ct CsJ-CdCdCs 300-1500 5.59E+04 2.41 0 15.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2314 Ct-Ct_Ct-Ct CsJ-CbHH 300-1500 2.16E+05 2.41 0 8.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2315 Ct-Ct_Ct-Ct CsJ-CbCsH 300-1500 5.31E+04 2.41 0 8.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2316 Ct-Ct_Ct-Ct CsJ-CbCsCs 300-1500 8.50E+03 2.41 0 7.68 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2317 Ct-Ct_Ct-Ct CsJ-CtHH 300-1500 2.00E+05 2.41 0 8.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2318 Ct-Ct_Ct-Ct CsJ-CtCsH 300-1500 4.50E+04 2.41 0 8.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2319 Ct-Ct_Ct-Ct CsJ-CtCsCs 300-1500 1.15E+04 2.41 0 7.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2320 Ct-Ct_Ct-Ct CdsJ-H 300-1500 3.02E+05 2.41 0 1.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2321 Ct-Ct_Ct-Ct CdsJ-Cs 300-1500 1.60E+05 2.41 0 0.91 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2322 Ct-Ct_Ct-Ct CbJ 300-1500 4.77E+05 2.41 0 -1.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - - -2323 Cds-HH_Cds-HH HJ 300-1500 4.61E+08 1.64 0 1.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2324 Cds-HH_Cds-CsH HJ 300-1500 4.95E+08 1.64 0 0.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2325 Cds-HH_Cds-CsCs HJ 300-1500 5.74E+08 1.64 0 -0.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2326 Cds-HH_Cds-CdH HJ 300-1500 4.59E+08 1.64 0 -0.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2327 Cds-HH_Cds-CdCs HJ 300-1500 5.14E+08 1.64 0 -0.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2328 Cds-HH_Cds-CdCd HJ 300-1500 2.47E+08 1.64 0 -1.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2329 Cds-HH_Cds-CtH HJ 300-1500 4.44E+08 1.64 0 -0.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2330 Cds-HH_Cds-CtCs HJ 300-1500 5.10E+08 1.64 0 -0.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2331 Cds-HH_Cds-CdCt HJ 300-1500 1.51E+08 1.64 0 -1.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2332 Cds-HH_Cds-CtCt HJ 300-1500 4.47E+08 1.64 0 -0.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2333 Cds-HH_Cds-CbH HJ 300-1500 1.20E+08 1.64 0 1.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2334 Cds-HH_Cds-CbCs HJ 300-1500 3.52E+08 1.64 0 1.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2335 Cds-HH_Ca HJ 300-1500 4.17E+08 1.64 0 1.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2336 Cds-CsH_Cds-HH HJ 300-1500 2.71E+08 1.64 0 1.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2337 Cds-CsH_Cds-CsH HJ 300-1500 2.90E+08 1.64 0 1.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2338 Cds-CsH_Cds-CsCs HJ 300-1500 3.37E+08 1.64 0 0.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2339 Cds-CsH_Cds-CdH HJ 300-1500 2.69E+08 1.64 0 0.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2340 Cds-CsH_Cds-CdCs HJ 300-1500 3.02E+08 1.64 0 0.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2341 Cds-CsH_Cds-CdCd HJ 300-1500 1.45E+08 1.64 0 -0.55 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2342 Cds-CsH_Cds-CtH HJ 300-1500 2.60E+08 1.64 0 0.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2343 Cds-CsH_Cds-CtCs HJ 300-1500 2.99E+08 1.64 0 0.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2344 Cds-CsH_Cds-CdCt HJ 300-1500 8.85E+07 1.64 0 -0.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2345 Cds-CsH_Cds-CtCt HJ 300-1500 2.63E+08 1.64 0 0.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2346 Cds-CsH_Cds-CbH HJ 300-1500 7.01E+07 1.64 0 2.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2347 Cds-CsH_Cds-CbCs HJ 300-1500 2.07E+08 1.64 0 1.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2348 Cds-CsH_Ca HJ 300-1500 2.45E+08 1.64 0 2.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2349 Cds-CsCs_Cds-HH HJ 300-1500 1.43E+08 1.64 0 2.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2350 Cds-CsCs_Cds-CsH HJ 300-1500 1.54E+08 1.64 0 2.17 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2351 Cds-CsCs_Cds-CsCs HJ 300-1500 1.78E+08 1.64 0 1.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2352 Cds-CsCs_Cds-CdH HJ 300-1500 1.43E+08 1.64 0 1.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2353 Cds-CsCs_Cds-CdCs HJ 300-1500 1.60E+08 1.64 0 0.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2354 Cds-CsCs_Cds-CdCd HJ 300-1500 7.68E+07 1.64 0 0.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2355 Cds-CsCs_Cds-CtH HJ 300-1500 1.38E+08 1.64 0 1.46 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2356 Cds-CsCs_Cds-CtCs HJ 300-1500 1.59E+08 1.64 0 1.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2357 Cds-CsCs_Cds-CdCt HJ 300-1500 4.69E+07 1.64 0 0.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2358 Cds-CsCs_Cds-CtCt HJ 300-1500 1.39E+08 1.64 0 0.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2359 Cds-CsCs_Cds-CbH HJ 300-1500 3.72E+07 1.64 0 3.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2360 Cds-CsCs_Cds-CbCs HJ 300-1500 1.10E+08 1.64 0 2.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2361 Cds-CsCs_Ca HJ 300-1500 1.30E+08 1.64 0 2.83 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2362 Cds-CdH_Cds-HH HJ 300-1500 3.23E+08 1.64 0 2.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2363 Cds-CdH_Cds-CsH HJ 300-1500 3.47E+08 1.64 0 1.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2364 Cds-CdH_Cds-CsCs HJ 300-1500 4.02E+08 1.64 0 1.38 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2365 Cds-CdH_Cds-CdH HJ 300-1500 3.22E+08 1.64 0 0.92 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2366 Cds-CdH_Cds-CdCs HJ 300-1500 3.60E+08 1.64 0 0.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2367 Cds-CdH_Cds-CdCd HJ 300-1500 1.73E+08 1.64 0 -0.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2368 Cds-CdH_Cds-CtH HJ 300-1500 3.11E+08 1.64 0 1.19 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2369 Cds-CdH_Cds-CtCs HJ 300-1500 3.57E+08 1.64 0 0.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2370 Cds-CdH_Cds-CdCt HJ 300-1500 1.06E+08 1.64 0 0.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2371 Cds-CdH_Cds-CtCt HJ 300-1500 3.14E+08 1.64 0 0.72 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2372 Cds-CdH_Cds-CbH HJ 300-1500 8.38E+07 1.64 0 2.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2373 Cds-CdH_Cds-CbCs HJ 300-1500 2.47E+08 1.64 0 2.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2374 Cds-CdH_Ca HJ 300-1500 2.92E+08 1.64 0 2.56 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2375 Cds-CdCs_Cds-HH HJ 300-1500 2.06E+08 1.64 0 3.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2376 Cds-CdCs_Cds-CsH HJ 300-1500 2.21E+08 1.64 0 2.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2377 Cds-CdCs_Cds-CsCs HJ 300-1500 2.57E+08 1.64 0 2.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2378 Cds-CdCs_Cds-CdH HJ 300-1500 2.06E+08 1.64 0 1.67 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2379 Cds-CdCs_Cds-CdCs HJ 300-1500 2.30E+08 1.64 0 1.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2380 Cds-CdCs_Cds-CdCd HJ 300-1500 1.11E+08 1.64 0 0.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2381 Cds-CdCs_Cds-CtH HJ 300-1500 1.99E+08 1.64 0 1.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2382 Cds-CdCs_Cds-CtCs HJ 300-1500 2.28E+08 1.64 0 1.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2383 Cds-CdCs_Cds-CdCt HJ 300-1500 6.75E+07 1.64 0 0.86 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2384 Cds-CdCs_Cds-CtCt HJ 300-1500 2.00E+08 1.64 0 1.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2385 Cds-CdCs_Cds-CbH HJ 300-1500 5.35E+07 1.64 0 3.70 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2386 Cds-CdCs_Cds-CbCs HJ 300-1500 1.58E+08 1.64 0 3.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2387 Cds-CdCs_Ca HJ 300-1500 1.87E+08 1.64 0 3.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2388 Cds-CdCd_Cds-HH HJ 300-1500 1.34E+08 1.64 0 3.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2389 Cds-CdCd_Cds-CsH HJ 300-1500 1.44E+08 1.64 0 3.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2390 Cds-CdCd_Cds-CsCs HJ 300-1500 1.67E+08 1.64 0 2.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2391 Cds-CdCd_Cds-CdH HJ 300-1500 1.34E+08 1.64 0 2.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2392 Cds-CdCd_Cds-CdCs HJ 300-1500 1.50E+08 1.64 0 2.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2393 Cds-CdCd_Cds-CdCd HJ 300-1500 7.19E+07 1.64 0 1.37 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2394 Cds-CdCd_Cds-CtH HJ 300-1500 1.29E+08 1.64 0 2.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2395 Cds-CdCd_Cds-CtCs HJ 300-1500 1.49E+08 1.64 0 2.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2396 Cds-CdCd_Cds-CdCt HJ 300-1500 4.39E+07 1.64 0 1.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2397 Cds-CdCd_Cds-CtCt HJ 300-1500 1.30E+08 1.64 0 2.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2398 Cds-CdCd_Cds-CbH HJ 300-1500 3.48E+07 1.64 0 4.33 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2399 Cds-CdCd_Cds-CbCs HJ 300-1500 1.03E+08 1.64 0 3.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2400 Cds-CdCd_Ca HJ 300-1500 1.22E+08 1.64 0 3.95 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2401 Cds-CtH_Cds-HH HJ 300-1500 2.97E+08 1.64 0 2.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2402 Cds-CtH_Cds-CsH HJ 300-1500 3.18E+08 1.64 0 2.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2403 Cds-CtH_Cds-CsCs HJ 300-1500 3.69E+08 1.64 0 1.60 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2404 Cds-CtH_Cds-CdH HJ 300-1500 2.95E+08 1.64 0 1.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2405 Cds-CtH_Cds-CdCs HJ 300-1500 3.31E+08 1.64 0 0.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2406 Cds-CtH_Cds-CdCd HJ 300-1500 1.59E+08 1.64 0 0.20 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2407 Cds-CtH_Cds-CtH HJ 300-1500 2.85E+08 1.64 0 1.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2408 Cds-CtH_Cds-CtCs HJ 300-1500 3.28E+08 1.64 0 1.15 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2409 Cds-CtH_Cds-CdCt HJ 300-1500 9.70E+07 1.64 0 0.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2410 Cds-CtH_Cds-CtCt HJ 300-1500 2.88E+08 1.64 0 0.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2411 Cds-CtH_Cds-CbH HJ 300-1500 7.69E+07 1.64 0 3.16 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2412 Cds-CtH_Cds-CbCs HJ 300-1500 2.27E+08 1.64 0 2.65 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2413 Cds-CtH_Ca HJ 300-1500 2.68E+08 1.64 0 2.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2414 Cds-CtCs_Cds-HH HJ 300-1500 1.83E+08 1.64 0 3.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2415 Cds-CtCs_Cds-CsH HJ 300-1500 1.96E+08 1.64 0 3.24 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2416 Cds-CtCs_Cds-CsCs HJ 300-1500 2.27E+08 1.64 0 2.71 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2417 Cds-CtCs_Cds-CdH HJ 300-1500 1.82E+08 1.64 0 2.25 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2418 Cds-CtCs_Cds-CdCs HJ 300-1500 2.04E+08 1.64 0 2.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2419 Cds-CtCs_Cds-CdCd HJ 300-1500 9.78E+07 1.64 0 1.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2420 Cds-CtCs_Cds-CtH HJ 300-1500 1.76E+08 1.64 0 2.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2421 Cds-CtCs_Cds-CtCs HJ 300-1500 2.02E+08 1.64 0 2.26 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2422 Cds-CtCs_Cds-CdCt HJ 300-1500 5.98E+07 1.64 0 1.43 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2423 Cds-CtCs_Cds-CtCt HJ 300-1500 1.77E+08 1.64 0 2.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2424 Cds-CtCs_Cds-CbH HJ 300-1500 4.74E+07 1.64 0 4.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2425 Cds-CtCs_Cds-CbCs HJ 300-1500 1.40E+08 1.64 0 3.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2426 Cds-CtCs_Ca HJ 300-1500 1.65E+08 1.64 0 3.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2427 Cds-CdCt_Cds-HH HJ 300-1500 2.70E+08 1.64 0 4.30 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2428 Cds-CdCt_Cds-CsH HJ 300-1500 2.90E+08 1.64 0 3.81 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2429 Cds-CdCt_Cds-CsCs HJ 300-1500 3.36E+08 1.64 0 3.29 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2430 Cds-CdCt_Cds-CdH HJ 300-1500 2.69E+08 1.64 0 2.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2431 Cds-CdCt_Cds-CdCs HJ 300-1500 3.01E+08 1.64 0 2.58 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2432 Cds-CdCt_Cds-CdCd HJ 300-1500 1.45E+08 1.64 0 1.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2433 Cds-CdCt_Cds-CtH HJ 300-1500 2.60E+08 1.64 0 3.10 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2434 Cds-CdCt_Cds-CtCs HJ 300-1500 2.99E+08 1.64 0 2.84 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2435 Cds-CdCt_Cds-CdCt HJ 300-1500 8.83E+07 1.64 0 2.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2436 Cds-CdCt_Cds-CtCt HJ 300-1500 2.62E+08 1.64 0 2.63 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2437 Cds-CdCt_Cds-CbH HJ 300-1500 7.00E+07 1.64 0 4.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2438 Cds-CdCt_Cds-CbCs HJ 300-1500 2.06E+08 1.64 0 4.34 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2439 Cds-CdCt_Ca HJ 300-1500 2.44E+08 1.64 0 4.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2440 Cds-CtCt_Cds-HH HJ 300-1500 2.52E+08 1.64 0 4.90 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2441 Cds-CtCt_Cds-CsH HJ 300-1500 2.71E+08 1.64 0 4.41 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2442 Cds-CtCt_Cds-CsCs HJ 300-1500 3.14E+08 1.64 0 3.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2443 Cds-CtCt_Cds-CdH HJ 300-1500 2.51E+08 1.64 0 3.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2444 Cds-CtCt_Cds-CdCs HJ 300-1500 2.82E+08 1.64 0 3.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2445 Cds-CtCt_Cds-CdCd HJ 300-1500 1.35E+08 1.64 0 2.49 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2446 Cds-CtCt_Cds-CtH HJ 300-1500 2.43E+08 1.64 0 3.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2447 Cds-CtCt_Cds-CtCs HJ 300-1500 2.79E+08 1.64 0 3.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2448 Cds-CtCt_Cds-CdCt HJ 300-1500 8.26E+07 1.64 0 2.61 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2449 Cds-CtCt_Cds-CtCt HJ 300-1500 2.45E+08 1.64 0 3.22 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2450 Cds-CtCt_Cds-CbH HJ 300-1500 6.54E+07 1.64 0 5.44 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2451 Cds-CtCt_Cds-CbCs HJ 300-1500 1.93E+08 1.64 0 4.94 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2452 Cds-CtCt_Ca HJ 300-1500 2.28E+08 1.64 0 5.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2453 Cds-CbH_Cds-HH HJ 300-1500 9.36E+07 1.64 0 4.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2454 Cds-CbH_Cds-CsH HJ 300-1500 1.00E+08 1.64 0 4.03 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2455 Cds-CbH_Cds-CsCs HJ 300-1500 1.16E+08 1.64 0 3.51 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2456 Cds-CbH_Cds-CdH HJ 300-1500 9.32E+07 1.64 0 3.04 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2457 Cds-CbH_Cds-CdCs HJ 300-1500 1.04E+08 1.64 0 2.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2458 Cds-CbH_Cds-CdCd HJ 300-1500 5.01E+07 1.64 0 2.12 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2459 Cds-CbH_Cds-CtH HJ 300-1500 9.00E+07 1.64 0 3.32 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2460 Cds-CbH_Cds-CtCs HJ 300-1500 1.03E+08 1.64 0 3.06 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2461 Cds-CbH_Cds-CdCt HJ 300-1500 3.06E+07 1.64 0 2.23 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2462 Cds-CbH_Cds-CtCt HJ 300-1500 9.08E+07 1.64 0 2.85 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2463 Cds-CbH_Cds-CbH HJ 300-1500 2.43E+07 1.64 0 5.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2464 Cds-CbH_Cds-CbCs HJ 300-1500 7.15E+07 1.64 0 4.57 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2465 Cds-CbH_Ca HJ 300-1500 8.47E+07 1.64 0 4.69 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2466 Cds-CbCs_Cds-HH HJ 300-1500 1.34E+08 1.64 0 4.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2467 Cds-CbCs_Cds-CsH HJ 300-1500 1.44E+08 1.64 0 3.99 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2468 Cds-CbCs_Cds-CsCs HJ 300-1500 1.67E+08 1.64 0 3.47 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2469 Cds-CbCs_Cds-CdH HJ 300-1500 1.34E+08 1.64 0 3.00 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2470 Cds-CbCs_Cds-CdCs HJ 300-1500 1.50E+08 1.64 0 2.75 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2471 Cds-CbCs_Cds-CdCd HJ 300-1500 7.18E+07 1.64 0 2.07 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2472 Cds-CbCs_Cds-CtH HJ 300-1500 1.29E+08 1.64 0 3.27 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2473 Cds-CbCs_Cds-CtCs HJ 300-1500 1.48E+08 1.64 0 3.01 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2474 Cds-CbCs_Cds-CdCt HJ 300-1500 4.38E+07 1.64 0 2.18 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2475 Cds-CbCs_Cds-CtCt HJ 300-1500 1.30E+08 1.64 0 2.80 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2476 Cds-CbCs_Cds-CbH HJ 300-1500 3.48E+07 1.64 0 5.02 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2477 Cds-CbCs_Cds-CbCs HJ 300-1500 1.02E+08 1.64 0 4.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2478 Cds-CbCs_Ca HJ 300-1500 1.21E+08 1.64 0 4.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -2479 Ct-H_Ct-H HJ 300-1500 5.13E+08 1.64 0 2.11 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2480 Ct-H_Ct-Cs HJ 300-1500 1.49E+09 1.64 0 3.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2481 Ct-H_Ct-Cd HJ 300-1500 5.67E+08 1.64 0 1.64 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2482 Ct-H_Ct-Ct HJ 300-1500 1.06E+09 1.64 0 1.48 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2483 Ct-Cs_Ct-H HJ 300-1500 6.89E+08 1.64 0 3.40 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2484 Ct-Cs_Ct-Cs HJ 300-1500 2.01E+09 1.64 0 4.42 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2485 Ct-Cs_Ct-Cd HJ 300-1500 7.62E+08 1.64 0 2.93 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2486 Ct-Cs_Ct-Ct HJ 300-1500 1.42E+09 1.64 0 2.77 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2487 Ct-Cd_Ct-H HJ 300-1500 5.22E+08 1.64 0 3.52 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2488 Ct-Cd_Ct-Cs HJ 300-1500 1.52E+09 1.64 0 4.54 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2489 Ct-Cd_Ct-Cd HJ 300-1500 5.78E+08 1.64 0 3.05 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2490 Ct-Cd_Ct-Ct HJ 300-1500 1.08E+09 1.64 0 2.89 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2491 Ct-Ct_Ct-H HJ 300-1500 8.34E+08 1.64 0 4.13 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2492 Ct-Ct_Ct-Cs HJ 300-1500 2.43E+09 1.64 0 5.14 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2493 Ct-Ct_Ct-Cd HJ 300-1500 9.22E+08 1.64 0 3.66 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2494 Ct-Ct_Ct-Ct HJ 300-1500 1.72E+09 1.64 0 3.50 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -2495 Ca_Cds-HH HJ 300-1500 8.80E+08 1.64 0 2.82 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2496 Ca_Cds-CsH HJ 300-1500 1.09E+09 1.64 0 3.78 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2497 Ca_Cds-CsCs HJ 300-1500 6.10E+08 1.64 0 2.73 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -// Addition reactions involving S atoms - -2498 Cds-HH_Sd HJ 300-1500 4.62E+08 1.7 0 0.6 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2499 Cds-HH_Sd CsJ-HHH 300-1500 1.15E+04 2.8 0 -0.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2500 Cds-HH_Sd CsJ-CsHH 300-1500 5.57E+02 2.9 0 -2.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2501 Cds-HH_Sd CsJ-CsCsH 300-1500 1.78E+02 2.9 0 -4.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2502 Cds-HH_Sd CsJ-CsCsCs 300-1500 1.20E+02 3.0 0 -5.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2511 Cds-HH_Sd SsJ-H 300-1500 2.92E+04 2.5 0 -1.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2512 Cds-HH_Sd SsJ-Cs 300-1500 8.58E+02 2.9 0 -0.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2516 Cds-HH_Sd SsJ-Ss 300-1500 3.19E+01 3.0 0 3.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2517 Cds-CsH_Sd CsJ-HHH 300-1500 1.00E+00 2.8 0 1.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2518 Cds-CsCs_Sd CsJ-HHH 300-1500 1.00E+00 2.7 0 2.9 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 - -2521 Sd_Cds-HH HJ 300-1500 9.50E+08 1.7 0 -0.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2522 Sd_Cds-HH CsJ-HHH 300-1500 3.76E+03 2.9 0 1.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2523 Sd_Cds-HH CsJ-CsHH 300-1500 1.69E+02 3.0 0 -1.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2524 Sd_Cds-HH CsJ-CsCsH 300-1500 6.44E+01 3.0 0 -2.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2525 Sd_Cds-HH CsJ-CsCsCs 300-1500 3.62E+01 3.1 0 -3.2 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2534 Sd_Cds-HH SsJ-H 300-1500 1.44E+04 2.6 0 -6.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2535 Sd_Cds-HH SsJ-Cs 300-1500 3.82E+02 3.0 0 -3.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2539 Sd_Cds-HH SsJ-Ss 300-1500 1.34E+01 3.3 0 1.5 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2540 Sd_Cds-CsH CsJ-HHH 300-1500 5.36E+03 2.8 0 1.7 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2541 Sd_Cds-CsCs CsJ-HHH 300-1500 5.29E+03 2.7 0 2.1 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2542 Sd_Cds-CdH CsJ-HHH 300-1500 1.65E+03 3.2 0 1.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2543 Sd_Cds-CdCs CsJ-HHH 300-1500 1.68E+03 3.1 0 1.0 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2544 Cds-HH_Cds-HH SsJ-H 300-1500 4.98E+03 2.7 0 -0.8 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2545 Cds-HH_Cds-HH SsJ-Cs 300-1500 7.39E+01 3.1 0 1.3 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 -2549 Cds-HH_Cds-HH SsJ-Ss 300-1500 4.21E+00 3.3 0 7.4 0 0 0 0 1 Aäron Vandeputte GAVs CBS-QB3 diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/reactionAdjList.txt deleted file mode 100644 index e2dfbce705..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/reactionAdjList.txt +++ /dev/null @@ -1,22 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 31, 2003 // -// // -////////////////////////////////////////////////////// - - -// f02 radical addition to a double/triple bond - -R_R + YJ -> RJ_R_Y - -forward -reverse(f03): Beta_Scission - -Actions 1 -(1) CHANGE_BOND {*1,-1,*2} -(2) FORM_BOND {*1,S,*3} -(2) GAIN_RADICAL {*2,1} -(3) LOSE_RADICAL {*3,1} - diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/tree.txt b/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/tree.txt deleted file mode 100644 index 6e1265409b..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Addition_MultipleBond/tree.txt +++ /dev/null @@ -1,1068 +0,0 @@ -// tree for f02: Radical Addition to Multiple Bond - -// SR, Jan. 30, 2003 - -// CDW : since having both Cd/H/H and Cd/H2, Cd/Nd/Nd and Cd/Nd2, Cd/De/De and Cd/De2 at the same time - -// are confusing, made them uniform as Cd/H2, Cd/Nd2, and Cd/De2. 03/25/03 - - - -// f02_radical_addition_to_multiple_bond - -L1: R_R - L2: Cd_R - L3: Cds_Cds - L4: Cds-HH_Cds - L5: Cds-HH_Cds-HH - L5: Cds-HH_Cds-CsH - L5: Cds-HH_Cds-CsCs - L5: Cds-HH_Cds-OsH - L5: Cds-HH_Cds-OsCs - L5: Cds-HH_Cds-OsOs - L5: Cds-HH_Cds-SsH - L5: Cds-HH_Cds-SsCs - L5: Cds-HH_Cds-SsOs - L5: Cds-HH_Cds-SsSs - L5: Cds-HH_Cds-OneDe - L6: Cds-HH_Cds-OneDeH - L7: Cds-HH_Cds-CdH - L7: Cds-HH_Cds-CtH - L7: Cds-HH_Cds-CbH - L7: Cds-HH_Cds-COH - L7: Cds-HH_Cds-C=SH - L6: Cds-HH_Cds-OneDeCs - L7: Cds-HH_Cds-CdCs - L7: Cds-HH_Cds-CtCs - L7: Cds-HH_Cds-CbCs - L7: Cds-HH_Cds-COCs - L7: Cds-HH_Cds-C=SCs - L6: Cds-HH_Cds-OneDeOs - L7: Cds-HH_Cds-CdOs - L7: Cds-HH_Cds-CtOs - L7: Cds-HH_Cds-CbOs - L7: Cds-HH_Cds-COOs - L7: Cds-HH_Cds-C=SOs - L6: Cds-HH_Cds-OneDeSs - L7: Cds-HH_Cds-CdSs - L7: Cds-HH_Cds-CtSs - L7: Cds-HH_Cds-CbSs - L7: Cds-HH_Cds-COSs - L7: Cds-HH_Cds-C=SSs - L5: Cds-HH_Cds-TwoDe - L6: Cds-HH_Cds-CdCd - L6: Cds-HH_Cds-CdCt - L6: Cds-HH_Cds-CdCb - L6: Cds-HH_Cds-CdCO - L6: Cds-HH_Cds-CdC=S - L6: Cds-HH_Cds-CtCt - L6: Cds-HH_Cds-CtCb - L6: Cds-HH_Cds-CtCO - L6: Cds-HH_Cds-CtC=S - L6: Cds-HH_Cds-CbCb - L6: Cds-HH_Cds-CbCO - L6: Cds-HH_Cds-CbC=S - L6: Cds-HH_Cds-COCO - L6: Cds-HH_Cds-COC=S - L6: Cds-HH_Cds-C=SC=S - L4: Cds-CsH_Cds - L5: Cds-CsH_Cds-HH - L5: Cds-CsH_Cds-CsH - L5: Cds-CsH_Cds-CsCs - L5: Cds-CsH_Cds-OsH - L5: Cds-CsH_Cds-OsCs - L5: Cds-CsH_Cds-OsOs - L5: Cds-CsH_Cds-SsH - L5: Cds-CsH_Cds-SsCs - L5: Cds-CsH_Cds-SsOs - L5: Cds-CsH_Cds-SsSs - L5: Cds-CsH_Cds-OneDe - L6: Cds-CsH_Cds-OneDeH - L7: Cds-CsH_Cds-CdH - L7: Cds-CsH_Cds-CtH - L7: Cds-CsH_Cds-CbH - L7: Cds-CsH_Cds-COH - L7: Cds-CsH_Cds-C=SH - L6: Cds-CsH_Cds-OneDeCs - L7: Cds-CsH_Cds-CdCs - L7: Cds-CsH_Cds-CtCs - L7: Cds-CsH_Cds-CbCs - L7: Cds-CsH_Cds-COCs - L7: Cds-CsH_Cds-C=SCs - L6: Cds-CsH_Cds-OneDeOs - L7: Cds-CsH_Cds-CdOs - L7: Cds-CsH_Cds-CtOs - L7: Cds-CsH_Cds-CbOs - L7: Cds-CsH_Cds-COOs - L7: Cds-CsH_Cds-C=SOs - L6: Cds-CsH_Cds-OneDeSs - L7: Cds-CsH_Cds-CdSs - L7: Cds-CsH_Cds-CtSs - L7: Cds-CsH_Cds-CbSs - L7: Cds-CsH_Cds-COSs - L7: Cds-CsH_Cds-C=SSs - L5: Cds-CsH_Cds-TwoDe - L6: Cds-CsH_Cds-CdCd - L6: Cds-CsH_Cds-CdCt - L6: Cds-CsH_Cds-CdCb - L6: Cds-CsH_Cds-CdCO - L6: Cds-CsH_Cds-CdC=S - L6: Cds-CsH_Cds-CtCt - L6: Cds-CsH_Cds-CtCb - L6: Cds-CsH_Cds-CtCO - L6: Cds-CsH_Cds-CtC=S - L6: Cds-CsH_Cds-CbCb - L6: Cds-CsH_Cds-CbCO - L6: Cds-CsH_Cds-CbC=S - L6: Cds-CsH_Cds-COCO - L6: Cds-CsH_Cds-COC=S - L6: Cds-CsH_Cds-C=SC=S - L4: Cds-CsCs_Cds - L5: Cds-CsCs_Cds-HH - L5: Cds-CsCs_Cds-CsH - L5: Cds-CsCs_Cds-CsCs - L5: Cds-CsCs_Cds-OsH - L5: Cds-CsCs_Cds-OsCs - L5: Cds-CsCs_Cds-OsOs - L5: Cds-CsCs_Cds-SsH - L5: Cds-CsCs_Cds-SsCs - L5: Cds-CsCs_Cds-SsOs - L5: Cds-CsCs_Cds-SsSs - L5: Cds-CsCs_Cds-OneDe - L6: Cds-CsCs_Cds-OneDeH - L7: Cds-CsCs_Cds-CdH - L7: Cds-CsCs_Cds-CtH - L7: Cds-CsCs_Cds-CbH - L7: Cds-CsCs_Cds-COH - L7: Cds-CsCs_Cds-C=SH - L6: Cds-CsCs_Cds-OneDeCs - L7: Cds-CsCs_Cds-CdCs - L7: Cds-CsCs_Cds-CtCs - L7: Cds-CsCs_Cds-CbCs - L7: Cds-CsCs_Cds-COCs - L7: Cds-CsCs_Cds-C=SCs - L6: Cds-CsCs_Cds-OneDeOs - L7: Cds-CsCs_Cds-CdOs - L7: Cds-CsCs_Cds-CtOs - L7: Cds-CsCs_Cds-CbOs - L7: Cds-CsCs_Cds-COOs - L7: Cds-CsCs_Cds-C=SOs - L6: Cds-CsCs_Cds-OneDeSs - L7: Cds-CsCs_Cds-CdSs - L7: Cds-CsCs_Cds-CtSs - L7: Cds-CsCs_Cds-CbSs - L7: Cds-CsCs_Cds-COSs - L7: Cds-CsCs_Cds-C=SSs - L5: Cds-CsCs_Cds-TwoDe - L6: Cds-CsCs_Cds-CdCd - L6: Cds-CsCs_Cds-CdCt - L6: Cds-CsCs_Cds-CdCb - L6: Cds-CsCs_Cds-CdCO - L6: Cds-CsCs_Cds-CdC=S - L6: Cds-CsCs_Cds-CtCt - L6: Cds-CsCs_Cds-CtCb - L6: Cds-CsCs_Cds-CtCO - L6: Cds-CsCs_Cds-CtC=S - L6: Cds-CsCs_Cds-CbCb - L6: Cds-CsCs_Cds-CbCO - L6: Cds-CsCs_Cds-CbC=S - L6: Cds-CsCs_Cds-COCO - L6: Cds-CsCs_Cds-COC=S - L6: Cds-CsCs_Cds-C=SC=S - L4: Cds-SsH_Cds - L4: Cds-SsCs_Cds - L4: Cds-SsSs_Cds - L4: Cds-OsH_Cds - L4: Cds-OsCs_Cds - L4: Cds-OsOs_Cds - L4: Cds-OsSs_Cds - L4: Cds-OneDe_Cds - L5: Cds-OneDeH_Cds - L6: Cds-CdH_Cds - L7: Cds-CdH_Cds-HH - L7: Cds-CdH_Cds-CsH - L7: Cds-CdH_Cds-CsCs - L7: Cds-CdH_Cds-OsH - L7: Cds-CdH_Cds-OsCs - L7: Cds-CdH_Cds-OsOs - L7: Cds-CdH_Cds-SsH - L7: Cds-CdH_Cds-SsCs - L7: Cds-CdH_Cds-SsOs - L7: Cds-CdH_Cds-SsSs - L7: Cds-CdH_Cds-OneDe - L8: Cds-CdH_Cds-OneDeH - L9: Cds-CdH_Cds-CdH - L9: Cds-CdH_Cds-CtH - L9: Cds-CdH_Cds-CbH - L9: Cds-CdH_Cds-COH - L9: Cds-CdH_Cds-C=SH - L8: Cds-CdH_Cds-OneDeCs - L9: Cds-CdH_Cds-CdCs - L9: Cds-CdH_Cds-CtCs - L9: Cds-CdH_Cds-CbCs - L9: Cds-CdH_Cds-COCs - L9: Cds-CdH_Cds-C=SCs - L8: Cds-CdH_Cds-OneDeOs - L9: Cds-CdH_Cds-CdOs - L9: Cds-CdH_Cds-CtOs - L9: Cds-CdH_Cds-CbOs - L9: Cds-CdH_Cds-COOs - L9: Cds-CdH_Cds-C=SOs - L8: Cds-CdH_Cds-OneDeSs - L9: Cds-CdH_Cds-CdSs - L9: Cds-CdH_Cds-CtSs - L9: Cds-CdH_Cds-CbSs - L9: Cds-CdH_Cds-COSs - L9: Cds-CdH_Cds-C=SSs - L7: Cds-CdH_Cds-TwoDe - L8: Cds-CdH_Cds-CdCd - L8: Cds-CdH_Cds-CdCt - L8: Cds-CdH_Cds-CdCb - L8: Cds-CdH_Cds-CdCO - L8: Cds-CdH_Cds-CdC=S - L8: Cds-CdH_Cds-CtCt - L8: Cds-CdH_Cds-CtCb - L8: Cds-CdH_Cds-CtCO - L8: Cds-CdH_Cds-CtC=S - L8: Cds-CdH_Cds-CbCb - L8: Cds-CdH_Cds-CbCO - L8: Cds-CdH_Cds-CbC=S - L8: Cds-CdH_Cds-COCO - L8: Cds-CdH_Cds-COC=S - L8: Cds-CdH_Cds-C=SC=S - L6: Cds-CtH_Cds - L7: Cds-CtH_Cds-HH - L7: Cds-CtH_Cds-CsH - L7: Cds-CtH_Cds-CsCs - L7: Cds-CtH_Cds-OsH - L7: Cds-CtH_Cds-OsCs - L7: Cds-CtH_Cds-OsOs - L7: Cds-CtH_Cds-SsH - L7: Cds-CtH_Cds-SsCs - L7: Cds-CtH_Cds-SsOs - L7: Cds-CtH_Cds-SsSs - L7: Cds-CtH_Cds-OneDe - L8: Cds-CtH_Cds-OneDeH - L9: Cds-CtH_Cds-CdH - L9: Cds-CtH_Cds-CtH - L9: Cds-CtH_Cds-CbH - L9: Cds-CtH_Cds-COH - L9: Cds-CtH_Cds-C=SH - L8: Cds-CtH_Cds-OneDeCs - L9: Cds-CtH_Cds-CdCs - L9: Cds-CtH_Cds-CtCs - L9: Cds-CtH_Cds-CbCs - L9: Cds-CtH_Cds-COCs - L9: Cds-CtH_Cds-C=SCs - L8: Cds-CtH_Cds-OneDeOs - L9: Cds-CtH_Cds-CdOs - L9: Cds-CtH_Cds-CtOs - L9: Cds-CtH_Cds-CbOs - L9: Cds-CtH_Cds-COOs - L9: Cds-CtH_Cds-C=SOs - L8: Cds-CtH_Cds-OneDeSs - L9: Cds-CtH_Cds-CdSs - L9: Cds-CtH_Cds-CtSs - L9: Cds-CtH_Cds-CbSs - L9: Cds-CtH_Cds-COSs - L9: Cds-CtH_Cds-C=SSs - L7: Cds-CtH_Cds-TwoDe - L8: Cds-CtH_Cds-CdCd - L8: Cds-CtH_Cds-CdCt - L8: Cds-CtH_Cds-CdCb - L8: Cds-CtH_Cds-CdCO - L8: Cds-CtH_Cds-CdC=S - L8: Cds-CtH_Cds-CtCt - L8: Cds-CtH_Cds-CtCb - L8: Cds-CtH_Cds-CtCO - L8: Cds-CtH_Cds-CtC=S - L8: Cds-CtH_Cds-CbCb - L8: Cds-CtH_Cds-CbCO - L8: Cds-CtH_Cds-CbC=S - L8: Cds-CtH_Cds-COCO - L8: Cds-CtH_Cds-COC=S - L8: Cds-CtH_Cds-C=SC=S - L6: Cds-CbH_Cds - L7: Cds-CbH_Cds-HH - L7: Cds-CbH_Cds-CsH - L7: Cds-CbH_Cds-CsCs - L7: Cds-CbH_Cds-OsH - L7: Cds-CbH_Cds-OsCs - L7: Cds-CbH_Cds-OsOs - L7: Cds-CbH_Cds-SsH - L7: Cds-CbH_Cds-SsCs - L7: Cds-CbH_Cds-SsOs - L7: Cds-CbH_Cds-SsSs - L7: Cds-CbH_Cds-OneDe - L8: Cds-CbH_Cds-OneDeH - L9: Cds-CbH_Cds-CdH - L9: Cds-CbH_Cds-CtH - L9: Cds-CbH_Cds-CbH - L9: Cds-CbH_Cds-COH - L9: Cds-CbH_Cds-C=SH - L8: Cds-CbH_Cds-OneDeCs - L9: Cds-CbH_Cds-CdCs - L9: Cds-CbH_Cds-CtCs - L9: Cds-CbH_Cds-CbCs - L9: Cds-CbH_Cds-COCs - L9: Cds-CbH_Cds-C=SCs - L8: Cds-CbH_Cds-OneDeOs - L9: Cds-CbH_Cds-CdOs - L9: Cds-CbH_Cds-CtOs - L9: Cds-CbH_Cds-CbOs - L9: Cds-CbH_Cds-COOs - L9: Cds-CbH_Cds-C=SOs - L8: Cds-CbH_Cds-OneDeSs - L9: Cds-CbH_Cds-CdSs - L9: Cds-CbH_Cds-CtSs - L9: Cds-CbH_Cds-CbSs - L9: Cds-CbH_Cds-COSs - L9: Cds-CbH_Cds-C=SSs - L7: Cds-CbH_Cds-TwoDe - L8: Cds-CbH_Cds-CdCd - L8: Cds-CbH_Cds-CdCt - L8: Cds-CbH_Cds-CdCb - L8: Cds-CbH_Cds-CdCO - L8: Cds-CbH_Cds-CdC=S - L8: Cds-CbH_Cds-CtCt - L8: Cds-CbH_Cds-CtCb - L8: Cds-CbH_Cds-CtCO - L8: Cds-CbH_Cds-CtC=S - L8: Cds-CbH_Cds-CbCb - L8: Cds-CbH_Cds-CbCO - L8: Cds-CbH_Cds-CbC=S - L8: Cds-CbH_Cds-COCO - L8: Cds-CbH_Cds-COC=S - L8: Cds-CbH_Cds-C=SC=S - L6: Cds-COH_Cds - L6: Cds-C=SH_Cds - L5: Cds-OneDeCs_Cds - L6: Cds-CdCs_Cds - L7: Cds-CdCs_Cds-HH - L7: Cds-CdCs_Cds-CsH - L7: Cds-CdCs_Cds-CsCs - L7: Cds-CdCs_Cds-OsH - L7: Cds-CdCs_Cds-OsCs - L7: Cds-CdCs_Cds-OsOs - L7: Cds-CdCs_Cds-SsH - L7: Cds-CdCs_Cds-SsCs - L7: Cds-CdCs_Cds-SsOs - L7: Cds-CdCs_Cds-SsSs - L7: Cds-CdCs_Cds-OneDe - L8: Cds-CdCs_Cds-OneDeH - L9: Cds-CdCs_Cds-CdH - L9: Cds-CdCs_Cds-CtH - L9: Cds-CdCs_Cds-CbH - L9: Cds-CdCs_Cds-COH - L9: Cds-CdCs_Cds-C=SH - L8: Cds-CdCs_Cds-OneDeCs - L9: Cds-CdCs_Cds-CdCs - L9: Cds-CdCs_Cds-CtCs - L9: Cds-CdCs_Cds-CbCs - L9: Cds-CdCs_Cds-COCs - L9: Cds-CdCs_Cds-C=SCs - L8: Cds-CdCs_Cds-OneDeOs - L9: Cds-CdCs_Cds-CdOs - L9: Cds-CdCs_Cds-CtOs - L9: Cds-CdCs_Cds-CbOs - L9: Cds-CdCs_Cds-COOs - L9: Cds-CdCs_Cds-C=SOs - L8: Cds-CdCs_Cds-OneDeSs - L9: Cds-CdCs_Cds-CdSs - L9: Cds-CdCs_Cds-CtSs - L9: Cds-CdCs_Cds-CbSs - L9: Cds-CdCs_Cds-COSs - L9: Cds-CdCs_Cds-C=SSs - L7: Cds-CdCs_Cds-TwoDe - L8: Cds-CdCs_Cds-CdCd - L8: Cds-CdCs_Cds-CdCt - L8: Cds-CdCs_Cds-CdCb - L8: Cds-CdCs_Cds-CdCO - L8: Cds-CdCs_Cds-CdC=S - L8: Cds-CdCs_Cds-CtCt - L8: Cds-CdCs_Cds-CtCb - L8: Cds-CdCs_Cds-CtCO - L8: Cds-CdCs_Cds-CtC=S - L8: Cds-CdCs_Cds-CbCb - L8: Cds-CdCs_Cds-CbCO - L8: Cds-CdCs_Cds-CbC=S - L8: Cds-CdCs_Cds-COCO - L8: Cds-CdCs_Cds-COC=S - L8: Cds-CdCs_Cds-C=SC=S - L6: Cds-CtCs_Cds - L7: Cds-CtCs_Cds-HH - L7: Cds-CtCs_Cds-CsH - L7: Cds-CtCs_Cds-CsCs - L7: Cds-CtCs_Cds-OsH - L7: Cds-CtCs_Cds-OsCs - L7: Cds-CtCs_Cds-OsOs - L7: Cds-CtCs_Cds-SsH - L7: Cds-CtCs_Cds-SsCs - L7: Cds-CtCs_Cds-SsOs - L7: Cds-CtCs_Cds-SsSs - L7: Cds-CtCs_Cds-OneDe - L8: Cds-CtCs_Cds-OneDeH - L9: Cds-CtCs_Cds-CdH - L9: Cds-CtCs_Cds-CtH - L9: Cds-CtCs_Cds-CbH - L9: Cds-CtCs_Cds-COH - L9: Cds-CtCs_Cds-C=SH - L8: Cds-CtCs_Cds-OneDeCs - L9: Cds-CtCs_Cds-CdCs - L9: Cds-CtCs_Cds-CtCs - L9: Cds-CtCs_Cds-CbCs - L9: Cds-CtCs_Cds-COCs - L9: Cds-CtCs_Cds-C=SCs - L8: Cds-CtCs_Cds-OneDeOs - L9: Cds-CtCs_Cds-CdOs - L9: Cds-CtCs_Cds-CtOs - L9: Cds-CtCs_Cds-CbOs - L9: Cds-CtCs_Cds-COOs - L9: Cds-CtCs_Cds-C=SOs - L8: Cds-CtCs_Cds-OneDeSs - L9: Cds-CtCs_Cds-CdSs - L9: Cds-CtCs_Cds-CtSs - L9: Cds-CtCs_Cds-CbSs - L9: Cds-CtCs_Cds-COSs - L9: Cds-CtCs_Cds-C=SSs - L7: Cds-CtCs_Cds-TwoDe - L8: Cds-CtCs_Cds-CdCd - L8: Cds-CtCs_Cds-CdCt - L8: Cds-CtCs_Cds-CdCb - L8: Cds-CtCs_Cds-CdCO - L8: Cds-CtCs_Cds-CdC=S - L8: Cds-CtCs_Cds-CtCt - L8: Cds-CtCs_Cds-CtCb - L8: Cds-CtCs_Cds-CtCO - L8: Cds-CtCs_Cds-CtC=S - L8: Cds-CtCs_Cds-CbCb - L8: Cds-CtCs_Cds-CbCO - L8: Cds-CtCs_Cds-CbC=S - L8: Cds-CtCs_Cds-COCO - L8: Cds-CtCs_Cds-COC=S - L8: Cds-CtCs_Cds-C=SC=S - L6: Cds-CbCs_Cds - L7: Cds-CbCs_Cds-HH - L7: Cds-CbCs_Cds-CsH - L7: Cds-CbCs_Cds-CsCs - L7: Cds-CbCs_Cds-OsH - L7: Cds-CbCs_Cds-OsCs - L7: Cds-CbCs_Cds-OsOs - L7: Cds-CbCs_Cds-SsH - L7: Cds-CbCs_Cds-SsCs - L7: Cds-CbCs_Cds-SsOs - L7: Cds-CbCs_Cds-SsSs - L7: Cds-CbCs_Cds-OneDe - L8: Cds-CbCs_Cds-OneDeH - L9: Cds-CbCs_Cds-CdH - L9: Cds-CbCs_Cds-CtH - L9: Cds-CbCs_Cds-CbH - L9: Cds-CbCs_Cds-COH - L9: Cds-CbCs_Cds-C=SH - L8: Cds-CbCs_Cds-OneDeCs - L9: Cds-CbCs_Cds-CdCs - L9: Cds-CbCs_Cds-CtCs - L9: Cds-CbCs_Cds-CbCs - L9: Cds-CbCs_Cds-COCs - L9: Cds-CbCs_Cds-C=SCs - L8: Cds-CbCs_Cds-OneDeOs - L9: Cds-CbCs_Cds-CdOs - L9: Cds-CbCs_Cds-CtOs - L9: Cds-CbCs_Cds-CbOs - L9: Cds-CbCs_Cds-COOs - L9: Cds-CbCs_Cds-C=SOs - L8: Cds-CbCs_Cds-OneDeSs - L9: Cds-CbCs_Cds-CdSs - L9: Cds-CbCs_Cds-CtSs - L9: Cds-CbCs_Cds-CbSs - L9: Cds-CbCs_Cds-COSs - L9: Cds-CbCs_Cds-C=SSs - L7: Cds-CbCs_Cds-TwoDe - L8: Cds-CbCs_Cds-CdCd - L8: Cds-CbCs_Cds-CdCt - L8: Cds-CbCs_Cds-CdCb - L8: Cds-CbCs_Cds-CdCO - L8: Cds-CbCs_Cds-CdC=S - L8: Cds-CbCs_Cds-CtCt - L8: Cds-CbCs_Cds-CtCb - L8: Cds-CbCs_Cds-CtCO - L8: Cds-CbCs_Cds-CtC=S - L8: Cds-CbCs_Cds-CbCb - L8: Cds-CbCs_Cds-CbCO - L8: Cds-CbCs_Cds-CbC=S - L8: Cds-CbCs_Cds-COCO - L8: Cds-CbCs_Cds-COC=S - L8: Cds-CbCs_Cds-C=SC=S - L6: Cds-COCs_Cds - L6: Cds-C=SCs_Cds - L5: Cds-OneDeSs_Cds - L6: Cds-CdSs_Cds - L6: Cds-CtSs_Cds - L6: Cds-CbSs_Cds - L6: Cds-COSs_Cds - L6: Cds-C=SSs_Cds - L5: Cds-OneDeOs_Cds - L6: Cds-CdOs_Cds - L6: Cds-CtOs_Cds - L6: Cds-CbOs_Cds - L6: Cds-COOs_Cds - L6: Cds-C=SOs_Cds - L4: Cds-TwoDe_Cds - L5: Cds-CdCd_Cds - L6: Cds-CdCd_Cds-HH - L6: Cds-CdCd_Cds-CsH - L6: Cds-CdCd_Cds-CsCs - L6: Cds-CdCd_Cds-OsH - L6: Cds-CdCd_Cds-OsCs - L6: Cds-CdCd_Cds-OsOs - L6: Cds-CdCd_Cds-SsH - L6: Cds-CdCd_Cds-SsCs - L6: Cds-CdCd_Cds-SsOs - L6: Cds-CdCd_Cds-SsSs - L6: Cds-CdCd_Cds-OneDe - L7: Cds-CdCd_Cds-OneDeH - L8: Cds-CdCd_Cds-CdH - L8: Cds-CdCd_Cds-CtH - L8: Cds-CdCd_Cds-CbH - L8: Cds-CdCd_Cds-COH - L8: Cds-CdCd_Cds-C=SH - L7: Cds-CdCd_Cds-OneDeCs - L8: Cds-CdCd_Cds-CdCs - L8: Cds-CdCd_Cds-CtCs - L8: Cds-CdCd_Cds-CbCs - L8: Cds-CdCd_Cds-COCs - L8: Cds-CdCd_Cds-C=SCs - L7: Cds-CdCd_Cds-OneDeOs - L8: Cds-CdCd_Cds-CdOs - L8: Cds-CdCd_Cds-CtOs - L8: Cds-CdCd_Cds-CbOs - L8: Cds-CdCd_Cds-COOs - L8: Cds-CdCd_Cds-C=SOs - L7: Cds-CdCd_Cds-OneDeSs - L8: Cds-CdCd_Cds-CdSs - L8: Cds-CdCd_Cds-CtSs - L8: Cds-CdCd_Cds-CbSs - L8: Cds-CdCd_Cds-COSs - L8: Cds-CdCd_Cds-C=SSs - L6: Cds-CdCd_Cds-TwoDe - L7: Cds-CdCd_Cds-CdCd - L7: Cds-CdCd_Cds-CdCt - L7: Cds-CdCd_Cds-CdCb - L7: Cds-CdCd_Cds-CdCO - L7: Cds-CdCd_Cds-CdC=S - L7: Cds-CdCd_Cds-CtCt - L7: Cds-CdCd_Cds-CtCb - L7: Cds-CdCd_Cds-CtCO - L7: Cds-CdCd_Cds-CtC=S - L7: Cds-CdCd_Cds-CbCb - L7: Cds-CdCd_Cds-CbCO - L7: Cds-CdCd_Cds-CbC=S - L7: Cds-CdCd_Cds-COCO - L7: Cds-CdCd_Cds-COC=S - L7: Cds-CdCd_Cds-C=SC=S - L5: Cds-CdCt_Cds - L6: Cds-CdCt_Cds-HH - L6: Cds-CdCt_Cds-CsH - L6: Cds-CdCt_Cds-CsCs - L6: Cds-CdCt_Cds-OsH - L6: Cds-CdCt_Cds-OsCs - L6: Cds-CdCt_Cds-OsOs - L6: Cds-CdCt_Cds-SsH - L6: Cds-CdCt_Cds-SsCs - L6: Cds-CdCt_Cds-SsOs - L6: Cds-CdCt_Cds-SsSs - L6: Cds-CdCt_Cds-OneDe - L7: Cds-CdCt_Cds-OneDeH - L8: Cds-CdCt_Cds-CdH - L8: Cds-CdCt_Cds-CtH - L8: Cds-CdCt_Cds-CbH - L8: Cds-CdCt_Cds-COH - L8: Cds-CdCt_Cds-C=SH - L7: Cds-CdCt_Cds-OneDeCs - L8: Cds-CdCt_Cds-CdCs - L8: Cds-CdCt_Cds-CtCs - L8: Cds-CdCt_Cds-CbCs - L8: Cds-CdCt_Cds-COCs - L8: Cds-CdCt_Cds-C=SCs - L7: Cds-CdCt_Cds-OneDeOs - L8: Cds-CdCt_Cds-CdOs - L8: Cds-CdCt_Cds-CtOs - L8: Cds-CdCt_Cds-CbOs - L8: Cds-CdCt_Cds-COOs - L8: Cds-CdCt_Cds-C=SOs - L7: Cds-CdCt_Cds-OneDeSs - L8: Cds-CdCt_Cds-CdSs - L8: Cds-CdCt_Cds-CtSs - L8: Cds-CdCt_Cds-CbSs - L8: Cds-CdCt_Cds-COSs - L8: Cds-CdCt_Cds-C=SSs - L6: Cds-CdCt_Cds-TwoDe - L7: Cds-CdCt_Cds-CdCd - L7: Cds-CdCt_Cds-CdCt - L7: Cds-CdCt_Cds-CdCb - L7: Cds-CdCt_Cds-CdCO - L7: Cds-CdCt_Cds-CdC=S - L7: Cds-CdCt_Cds-CtCt - L7: Cds-CdCt_Cds-CtCb - L7: Cds-CdCt_Cds-CtCO - L7: Cds-CdCt_Cds-CtC=S - L7: Cds-CdCt_Cds-CbCb - L7: Cds-CdCt_Cds-CbCO - L7: Cds-CdCt_Cds-CbC=S - L7: Cds-CdCt_Cds-COCO - L7: Cds-CdCt_Cds-COC=S - L7: Cds-CdCt_Cds-C=SC=S - L5: Cds-CdCb_Cds - L5: Cds-CdCO_Cds - L5: Cds-CdC=S_Cds - L5: Cds-CtCt_Cds - L6: Cds-CtCt_Cds-HH - L6: Cds-CtCt_Cds-CsH - L6: Cds-CtCt_Cds-CsCs - L6: Cds-CtCt_Cds-OsH - L6: Cds-CtCt_Cds-OsCs - L6: Cds-CtCt_Cds-OsOs - L6: Cds-CtCt_Cds-SsH - L6: Cds-CtCt_Cds-SsCs - L6: Cds-CtCt_Cds-SsOs - L6: Cds-CtCt_Cds-SsSs - L6: Cds-CtCt_Cds-OneDe - L7: Cds-CtCt_Cds-OneDeH - L8: Cds-CtCt_Cds-CdH - L8: Cds-CtCt_Cds-CtH - L8: Cds-CtCt_Cds-CbH - L8: Cds-CtCt_Cds-COH - L8: Cds-CtCt_Cds-C=SH - L7: Cds-CtCt_Cds-OneDeCs - L8: Cds-CtCt_Cds-CdCs - L8: Cds-CtCt_Cds-CtCs - L8: Cds-CtCt_Cds-CbCs - L8: Cds-CtCt_Cds-COCs - L8: Cds-CtCt_Cds-C=SCs - L7: Cds-CtCt_Cds-OneDeOs - L8: Cds-CtCt_Cds-CdOs - L8: Cds-CtCt_Cds-CtOs - L8: Cds-CtCt_Cds-CbOs - L8: Cds-CtCt_Cds-COOs - L8: Cds-CtCt_Cds-C=SOs - L7: Cds-CtCt_Cds-OneDeSs - L8: Cds-CtCt_Cds-CdSs - L8: Cds-CtCt_Cds-CtSs - L8: Cds-CtCt_Cds-CbSs - L8: Cds-CtCt_Cds-COSs - L8: Cds-CtCt_Cds-C=SSs - L6: Cds-CtCt_Cds-TwoDe - L7: Cds-CtCt_Cds-CdCd - L7: Cds-CtCt_Cds-CdCt - L7: Cds-CtCt_Cds-CdCb - L7: Cds-CtCt_Cds-CdCO - L7: Cds-CtCt_Cds-CdC=S - L7: Cds-CtCt_Cds-CtCt - L7: Cds-CtCt_Cds-CtCb - L7: Cds-CtCt_Cds-CtCO - L7: Cds-CtCt_Cds-CtC=S - L7: Cds-CtCt_Cds-CbCb - L7: Cds-CtCt_Cds-CbCO - L7: Cds-CtCt_Cds-CbC=S - L7: Cds-CtCt_Cds-COCO - L7: Cds-CtCt_Cds-COC=S - L7: Cds-CtCt_Cds-C=SC=S - L5: Cds-CtCb_Cds - L5: Cds-CtCO_Cds - L5: Cds-CtC=S_Cds - L5: Cds-CbCb_Cds - L5: Cds-CbCO_Cds - L5: Cds-CbC=S_Cds - L5: Cds-COCO_Cds - L5: Cds-COC=S_Cds - L5: Cds-C=SC=S_Cds - L3: Cds_Cdd - L4: Cds_Ca - L5: Cds-HH_Ca - L5: Cds-CsH_Ca - L5: Cds-CsCs_Ca - L5: Cds-OneDeH_Ca - L6: Cds-CdH_Ca - L6: Cds-CtH_Ca - L6: Cds-CbH_Ca - L6: Cds-COH_Ca - L6: Cds-C=SH_Ca - L5: Cds-OneDeCs_Ca - L6: Cds-CdCs_Ca - L6: Cds-CtCs_Ca - L6: Cds-CbCs_Ca - L6: Cds-COCs_Ca - L6: Cds-C=SCs_Ca - L5: Cds-TwoDe_Ca - L6: Cds-CdCd_Ca - L6: Cds-CdCt_Ca - L6: Cds-CdCb_Ca - L6: Cds-CdCO_Ca - L6: Cds-CdC=S_Ca - L6: Cds-CtCt_Ca - L6: Cds-CtCb_Ca - L6: Cds-CtCO_Ca - L6: Cds-CtC=S_Ca - L6: Cds-CbCb_Ca - L6: Cds-CbCO_Ca - L6: Cds-CbC=S_Ca - L6: Cds-COCO_Ca - L6: Cds-COC=S_Ca - L6: Cds-C=SC=S_Ca - L4: Cds_Ck - L5: Cds-HH_Ck - L5: Cds-CsH_Ck - L5: Cds-CsCs_Ck - L5: Cds-OneDeH_Ck - L5: Cds-OneDeCs_Ck - L5: Cds-TwoDe_Ck - L3: Cdd_Cds - L4: Ca_Cds - L5: Ca_Cds-HH - L5: Ca_Cds-CsH - L5: Ca_Cds-CsCs - L5: Ca_Cds-OneDeH - L6: Ca_Cds-CdH - L6: Ca_Cds-CtH - L6: Ca_Cds-CbH - L6: Ca_Cds-COH - L6: Ca_Cds-C=SH - L5: Ca_Cds-OneDeCs - L6: Ca_Cds-CdCs - L6: Ca_Cds-CtCs - L6: Ca_Cds-CbCs - L6: Ca_Cds-COCs - L6: Ca_Cds-C=SCs - L5: Ca_Cds-TwoDe - L6: Ca_Cds-CdCd - L6: Ca_Cds-CdCt - L6: Ca_Cds-CdCb - L6: Ca_Cds-CdCO - L6: Ca_Cds-CdC=S - L6: Ca_Cds-CtCt - L6: Ca_Cds-CtCb - L6: Ca_Cds-CtCO - L6: Ca_Cds-CtC=S - L6: Ca_Cds-CbCb - L6: Ca_Cds-CbCO - L6: Ca_Cds-CbC=S - L6: Ca_Cds-COCO - L6: Ca_Cds-COC=S - L6: Ca_Cds-C=SC=S - L4: Ck_Cds - L5: Ck_Cds-HH - L5: Ck_Cds-CsH - L5: Ck_Cds-CsCs - L5: Ck_Cds-OneDeH - L6: Ck_Cds-CdH - L6: Ck_Cds-CtH - L6: Ck_Cds-CbH - L6: Ck_Cds-COH - L6: Ck_Cds-C=SH - L5: Ck_Cds-OneDeCs - L6: Ck_Cds-CdCs - L6: Ck_Cds-CtCs - L6: Ck_Cds-CbCs - L6: Ck_Cds-COCs - L6: Ck_Cds-C=SCs - L5: Ck_Cds-TwoDe - L6: Ck_Cds-CdCd - L6: Ck_Cds-CdCt - L6: Ck_Cds-CdCb - L6: Ck_Cds-CdCO - L6: Ck_Cds-CdC=S - L6: Ck_Cds-CtCt - L6: Ck_Cds-CtCb - L6: Ck_Cds-CtCO - L6: Ck_Cds-CtC=S - L6: Ck_Cds-CbCb - L6: Ck_Cds-CbCO - L6: Ck_Cds-CbC=S - L6: Ck_Cds-COCO - L6: Ck_Cds-COC=S - L6: Ck_Cds-C=SC=S - L3: Cdd_Cdd - L4: Ca_Ca - L4: Ck_Ck - L4: Ca_Ck - L4: Ck_Ca - -// Not adapted - - L3: Cdd_Od - - L4: CO2 - - L4: Ck_O - - L3: CO_O - - L4: CO/H2_O - - L4: CO/H/Nd_O - - L4: CO/H/De_O - - L4: CO/Nd2_O - - L4: CO/Nd/De_O - - L4: CO/De2_O - -// Untill here - - L3: Cds_Sd - L4: Cds-HH_Sd - L4: Cds-CsH_Sd - L4: Cds-CsCs_Sd - L4: Cds-OneDeH_Sd - L5: Cds-CdH_Sd - L5: Cds-CtH_Sd - L5: Cds-CbH_Sd - L5: Cds-COH_Sd - L5: Cds-C=SH_Sd - L4: Cds-OneDeCs_Sd - L5: Cds-CdCs_Sd - L5: Cds-CtCs_Sd - L5: Cds-CbCs_Sd - L5: Cds-COCs_Sd - L5: Cds-C=SCs_Sd - L4: Cds-TwoDe_Sd - L5: Cds-CdCd_Sd - L5: Cds-CdCt_Sd - L5: Cds-CdCb_Sd - L5: Cds-CdCO_Sd - L5: Cds-CdC=S_Sd - L5: Cds-CtCt_Sd - L5: Cds-CtCb_Sd - L5: Cds-CtCO_Sd - L5: Cds-CtC=S_Sd - L5: Cds-CbCb_Sd - L5: Cds-CbCO_Sd - L5: Cds-CbC=S_Sd - L5: Cds-COCO_Sd - L5: Cds-COC=S_Sd - L5: Cds-C=SC=S_Sd - L3: Cdd_Sd - L4: Cdd-Sd_Sd - L2: Ct_R - L3: Ct_Ct - L4: Ct-H_Ct-H - L4: Ct-H_Ct-Cs - L4: Ct-Cs_Ct-H - L4: Ct-Cs_Ct-Cs - L4: Ct-H_Ct-De - L5: Ct-H_Ct-Cd - L5: Ct-H_Ct-Ct - L5: Ct-H_Ct-Cb - L5: Ct-H_Ct-CO - L5: Ct-H_Ct-C=S - L4: Ct-Cs_Ct-De - L5: Ct-Cs_Ct-Cd - L5: Ct-Cs_Ct-Ct - L5: Ct-Cs_Ct-Cb - L5: Ct-Cs_Ct-CO - L5: Ct-Cs_Ct-C=S - L4: Ct-De_Ct-H - L5: Ct-Cd_Ct-H - L5: Ct-Ct_Ct-H - L5: Ct-Cb_Ct-H - L5: Ct-CO_Ct-H - L5: Ct-C=S_Ct-H - L4: Ct-De_Ct-Cs - L5: Ct-Cd_Ct-Cs - L5: Ct-Ct_Ct-Cs - L5: Ct-Cb_Ct-Cs - L5: Ct-CO_Ct-Cs - L5: Ct-C=S_Ct-Cs - L4: Ct-De_Ct-De - L5: Ct-Cd_Ct-Cd - L5: Ct-Cd_Ct-Ct - L5: Ct-Ct_Ct-Cd - L5: Ct-Ct_Ct-Ct - L2: O2d - L2: OCO - L2: OCddO - L2: Sd_R - L3: Sd_Cd - L4: Sd_Cds-HH - L4: Sd_Cds-CsH - L4: Sd_Cds-CsCs - L4: Sd_Cds-OneDeH - L5: Sd_Cds-CdH - L5: Sd_Cds-CtH - L5: Sd_Cds-CbH - L5: Sd_Cds-COH - L5: Sd_Cds-C=SH - L4: Sd_Cds-OneDeCs - L5: Sd_Cds-CdCs - L5: Sd_Cds-CtCs - L5: Sd_Cds-CbCs - L5: Sd_Cds-COCs - L5: Sd_Cds-C=SCs - L4: Sd_Cds-TwoDe - L5: Sd_Cds-CdCd - L5: Sd_Cds-CdCt - L5: Sd_Cds-CdCb - L5: Sd_Cds-CdCO - L5: Sd_Cds-CdC=S - L5: Sd_Cds-CtCt - L5: Sd_Cds-CtCb - L5: Sd_Cds-CtCO - L5: Sd_Cds-CtC=S - L5: Sd_Cds-CbCb - L5: Sd_Cds-CbCO - L5: Sd_Cds-CbC=S - L5: Sd_Cds-COCO - L5: Sd_Cds-COC=S - L5: Sd_Cds-C=SC=S - L3: Sd_Cdd - L4: Sd_Cdd-Sd - - -L1: YJ - L2: HJ - L2: CJ - L3: CsJ - L4: CsJ-HHH - L4: CsJ-CsHH - L4: CsJ-CsCsH - L4: CsJ-CsCsCs - L4: CsJ-OsHH - L4: CsJ-OsCsH - L4: CsJ-OsCsCs - L4: CsJ-OsOsH - L4: CsJ-OsOsCs - L4: CsJ-OsOsOs - L4: CsJ-SsHH - L4: CsJ-SsCsH - L4: CsJ-SsCsCs - L4: CsJ-SsSsH - L4: CsJ-SsSsCs - L4: CsJ-SsSsSs - L4: CsJ-OneDe - L5: CsJ-OneDeHH - L6: CsJ-CdHH - L6: CsJ-CtHH - L6: CsJ-CbHH - L6: CsJ-COHH - L6: CsJ-C=SHH - L5: CsJ-OneDeCsH - L6: CsJ-CdCsH - L6: CsJ-CtCsH - L6: CsJ-CbCsH - L6: CsJ-COCsH - L6: CsJ-C=SCsH - L5: CsJ-OneDeOsH - L5: CsJ-OneDeSsH - L5: CsJ-OneDeCsCs - L6: CsJ-CdCsCs - L6: CsJ-CtCsCs - L6: CsJ-CbCsCs - L6: CsJ-COCsCs - L6: CsJ-C=SCsCs - L5: CsJ-OneDeOsCs - L5: CsJ-OneDeSsCs - L5: CsJ-OneDeOsOs - L5: CsJ-OneDeOsSs - L5: CsJ-OneDeSsSs - L4: CsJ-TwoDe - L5: CsJ-TwoDeH - L6: CsJ-CdCdH - L6: CsJ-CdCtH - L6: CsJ-CdCbH - L6: CsJ-CdCOH - L6: CsJ-CdC=SH - L6: CsJ-CtCtH - L6: CsJ-CtCbH - L6: CsJ-CtCOH - L6: CsJ-CtC=SH - L6: CsJ-CbCbH - L6: CsJ-CbCOH - L6: CsJ-CbC=SH - L6: CsJ-COCOH - L6: CsJ-COC=SH - L6: CsJ-C=SC=SH - L5: CsJ-TwoDeCs - L6: CsJ-CdCdCs - L6: CsJ-CdCtCs - L6: CsJ-CdCbCs - L6: CsJ-CdCOCs - L6: CsJ-CdC=SCs - L6: CsJ-CtCtCs - L6: CsJ-CtCbCs - L6: CsJ-CtCOCs - L6: CsJ-CtC=SCs - L6: CsJ-CbCbCs - L6: CsJ-CbCOCs - L6: CsJ-CbC=SCs - L6: CsJ-COCOCs - L6: CsJ-COC=SCs - L6: CsJ-C=SC=SCs - L5: CsJ-TwoDeOs - L5: CsJ-TwoDeSs - L4: CsJ-ThreeDe - L3: CdsJ - L4: CdsJ-H - L4: CdsJ-Cs - L4: CdsJ-Cd - L4: CdsJ-Ct - L4: CdsJ-Cb - L4: CdsJ-CO - L4: CdsJ-C=S - L4: CdsJ-Os - L4: CdsJ-Ss - L3: CtJ - L3: CbJ - L3: C=SJ - L4: C=SJ-H - L4: C=SJ-Cs - L4: C=SJ-Cd - L4: C=SJ-Ct - L4: C=SJ-Cb - L4: C=SJ-CO - L4: C=SJ-C=S - L4: C=SJ-Os - L4: C=SJ-Ss - -// -// This section not updated yet -// - - L3: CO_rad - L4: CO_pri_rad - L4: CO_sec_rad - L5: CO_rad/NonDe - L5: CO_rad/OneDe - - L3: C2b - - L2: O_rad - L3: O_pri_rad - L3: O_sec_rad - L4: O_rad/NonDeC - L4: O_rad/NonDeO - L4: O_rad/OneDe - L3: O2b - - L2: Y_1centerbirad - //L3: CO_birad - L3: O_atom_triplet - L3: CH2_triplet - -// -// Up to here -// - - L2: SJ - L3: SsJ - L4: SsJ-H - L4: SsJ-Cs - L4: SsJ-Ss - L4: SsJ-OneDe - L5: SsJ-Cd - L5: SsJ-Ct - L5: SsJ-Cb - L5: SsJ-CO - L5: SsJ-C=S - diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Recombination/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/R_Recombination/CVS/Entries deleted file mode 100644 index 72176b5f41..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Recombination/CVS/Entries +++ /dev/null @@ -1,5 +0,0 @@ -/comments.txt/1.1/Wed Aug 5 18:25:54 2009// -/dictionary.txt/1.2/Fri Jun 5 14:42:08 2009// -/rateLibrary.txt/1.2/Wed Aug 5 18:37:44 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.1/Mon Jun 1 19:01:21 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Recombination/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/R_Recombination/CVS/Repository deleted file mode 100644 index 92e2085065..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Recombination/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/R_Recombination diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Recombination/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/R_Recombination/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Recombination/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Recombination/comments.txt b/output/RMG_database_sulfur/kinetics_groups/R_Recombination/comments.txt deleted file mode 100644 index ecbcc97961..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Recombination/comments.txt +++ /dev/null @@ -1,244 +0,0 @@ -425: [167] Dingle, J.R.; Le Roy, D.J.; J. Chem. Phys. 1950, 18, 1632. - Absolute value measured directly. Excitation: thermal. H + H --> H2 Bath gas: C2H2 - -426: [168] Takahashi, J.; Momose, T.; Shida, T. Bull. Chem. Soc. Jpn. 1994, 67, 74. - H + CH3 --> CH4 - -427: [94] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Frank, P.; Hayman, G,; Just, T.; Kerr, J.A.; Murrells, T.; Pilling, M.J.; - Troe, J.; Walker, R.W.; Warnatz, J. J. Phys. Chem. Ref. Data 1994, 23, 847. - H + CH3 --> CH4 - pg 870 Evaluated Kinetic Data for Combustion Modelling Supplement 1, Table 3. Combination reactions. - RMG data matches reference data for k(infinity). - Verified by Karma James - -428: [169] Sillesen , A.; Ratajczak, E.; Pagsberg, P. Chem. Phys. Lett. 1993, 201, 171. - Data derived from fitting to a complex mechanism. Excitation: radiolysis, analysis: IR absroption. Pressure 0.10 atm - H + C2H5 --> C2H6 - -429: [134] Warnatz, J. Rate coefficeints in the C/H/O system. In Combustion Chemistry, 1984; pp 197. - -430: Munk, J; Pagsberg, P.; Ratajczak, E.; Sillensen, A. Chem. Phys. Lett. 1986, 132, 417. - Data derived from fitting to a complex mechanism. Excitation: electron beam, analysis: Vis-UV absorption. Pressure 1.0 atm - H + isoC3H7 --> C3H8 - -431: [171] Fahr, A.; Laufer, A.; Klein, R.; Braun, W. J. Phys. Chem. 1991, 95, 3218. - Absolute value measured directly. Excitation: flash photolysis, analysis : Vis-UV absorption. Pressure 0.13 atm. Original uncertainty 4.8E+13 - H + iso-C3H7 --> C3H8 - -432: [165] Duran, R. P.; Amorebieta, V. T.; Colussi, A. J. J. Phys. Chem. 1988, 92, 636. - Ab initio - H + C2H3 --> C2H4 - -433: [89] Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - H + C2H --> C2H2 - pg 1101, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 21,4. - Verified by Karma James - -434: [172] Davis, S. G.; Wang, H.; Brezinsky K.; Law C. K. Symp. Int. Combust. Proc. 1996, 26, 1025. - (1000-1200K, excitation : thermal, pressure 1.0 atm) - [173] Ackerman, L.; Hippler, H.; Pagsberg, P.; Reihs, C.; Troe, J. J. Phys. Chem. 1990, 94, 5247. - (300K, absolute value measured directly, excitation : flash photolysis, analysis : VIS-UV absorption, pressure 0.01-0.99 atm) - H + phenyl --> benzene - -435: [174] Tsuboi, T.; Katoh, M.; Kikuchi, S.; Hashimoto, K. Jpn J. Appl. Phys. 1981, 20, 985. - Data is estimated. Pressure 7.0 atm. - H + HCO --> H2CO - -436: [106] Cobos, C. J.; Troe, J. J. Chem. Phys. 1985, 83, 1010. - Transition State Theory - H + OH --> H2O - -437: [175] Pesa, M. ; Pilling, M. J.; Robertson, S. H.; Wardlaw. J. Phys. Chem. A 1998, 102, 8526. - Transition State Theory - CH3 + CH3 --> C2H6 (Same as 438) - -438: [94] Baulch, D. L.; Cobos, C. J.; Cox, R. A.; Frank, P.; Hayman, G.; Just, T.; Kerr, J. A.; - Murrells, T.; Pilling, M. J.; Troe, J.; Walker, R. W.; Warnatz, J. J. Phys. Chem. Ref. Data 1994, 23, 847. - CH3 + CH3 --> C2H6 (Same as 437) - pg 871 Evaluated Kinetic Data for Combustion Modelling Supplement 1, Table 3. Combination reactions. - RMG data matches reference data for k(infinity). - Verified by Karma James - -439: [94] Baulch, D. L.; Cobos, C. J.; Cox, R. A.; Frank, P.; Hayman, G.; Just, T.; Kerr, J. A.; - Murrells, T.; Pilling, M. J.; Troe, J.; Walker, R. W.; Warnatz, J. J. Phys. Chem. Ref. Data 1994, 23, 847. - CH3 + C2H5 --> C3H8 - pg 871 Evaluated Kinetic Data for Combustion Modelling Supplement 1, Table 3. Combination reactions. - RMG data matches reference data for k(infinity). - Verified by Karma James - -440: [176] Tsang, W. Combust. Flame 1989, 78, 71. - RRK(M) extrapolation. - CH3 + iso-C3H7 --> iso-C4H10 - -441: [92] Tsang, W. J. Phys. Chem. Ref. Data 1990, 19, 1. - CH3 + tert-C4H9 --> neo-C5H12 - -442: [171] Fahr, A.; Laufer, A.; Klein, R.; Braun, W. J. Phys. Chem. 1991, 95, 3218. - Absolute value measured directly. Excitation: flash photolysis, analysis : Vis-UV absorption. Pressure 0.13 atm. Original Uncertainty 1.8E+13 - CH3 + HC= CH2 --> CH3HC=CH2 - -443: [177] Tokmakov, I. V.; Park, J.; Gheyas, S. I.; Lin, M. C. J. Phys. Chem. A. 1999, 103, 3636. - Data Derived from detailed balance/reverse rate. Uncertainty 8.0E-2. - CH3 + phenyl --> C6H5CH3 - -444: [178] Park, J.; Cheyas, s. I.; Lin, M. C. Int. J. Chem. Kinet. 1999, 31, 645. - Absolute value measured directly. Excitation: flash photolysis, analysis : mass spectometry. Pressure 0.05 atm. Uncertainty 7.0E-02 - CH3 + phenyl --> C6H5CH3 - -445: [89] Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - CH3 + HCO --> CH3CHO - pg 1095, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 16,15. - Verified by Karma James - -446: [179] Hassinen, E.; Kalliorinne, K; Koskikallio, J. Int. J. Chem. Kinet. 1990, 22, 741 - Data derived from fitting to a complex mechanism. Excitation : direct photolysis, analysis : GC. Pressure 0.95-0.98 atm. - CH3CO + .CH3 --> (CH3)2CO - -447: [89] Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - CH3 + CH3CO --> (CH3)2CO - pg 1103, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 22,16. - Verified by Karma James - -448: [94] Baulch, D. L.; Cobos, C. J.; Cox, R. A.; Frank, P.; Hayman, G.; Just, T.; Kerr, J. A.; - Murrells, T.; Pilling, M. J.; Troe, J.; Walker, R. W.; Warnatz, J. J. Phys. Chem. Ref. Data 1994, 23, 847. - CH3 + .OH --> CH3OH - pg 871 Evaluated Kinetic Data for Combustion Modelling Supplement 1, Table 3. Combination reactions. - RMG data matches reference data for k(infinity). - Verified by Karma James - -449: [89] Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - CH3 + CH3O --> (CH3)2O - pg 1104, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 24,16. - Verified by Karma James - -450: [95] Baulch, D. L.; Cobos, C. J.; Cox, R. A.; Esser, C.; Frank, P.; Just, T.; Kerr, - J. A.; Pilling, M. J.; Troe, J.; Walker, R. W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411. - .C2H5 + .C2H5 --> n-C4H10 - -451: [91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. - C2H5 + iso-C3H7 --> iso-C5H12 - pg 894, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 42,17. - Verified by Karma James - -452: [92] Tsang, W. J Phys. Chem. Ref. Data 1990, 19, 1. - C2H5 + tert-C4H9 --> (CH3)3CCH2CH3 - -453: [89] Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - C2H5 + HCO --> C2H5CHO - pg 1097, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 17,15. - Verified by Karma James - -454: [89] Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - C2H5 + CH3CO --> C2H5COCH3 - pg 1103, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 22,17. - Verified by Karma James - -455: [180] Fagerstrom, K.; Lund, A.; Mahmoud, G.; Jodkowski, J. T.; Ratajczak, E. Chem. Phys. Lett. 1993, 208, 321 - Excitation : radiolysis, analysis : VIS-UV absorption. Pressure 0.25-0.99 atm. Original Uncertainty 1.0E+13. - C2H5 + OH --> C2H5OH - -456: [91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. - Iso-C3H7 + iso-C3H7 --> (CH3)2CHCH(CH3)2 - pg 895, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 42,42. - NOTE: For A value, Database value = 3.25E+14 and Reference value = 6.023E+12 - Verified by Karma James - -457: [92] Tsang, W. J Phys. Chem. Ref. Data 1990, 19, 1. - Iso-C3H7 + tert-C4H9 --> 2,2,3-trimethyl-butane - -458: [91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. - Iso-C3H7 + CH3CO --> iso-C3H7COCH3 - pg 895, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 42,22. - NOTE: For A value, Database value = 6.64E+13 and Reference value = 9.03E+12 - Verified by Karma James - -459: [91] Tsang, W. J. Phys. Chem. Ref. Data 1988, 17, 887. - Iso-C3H7 + CH3O --> i-C3H7OCH3 - pg 895, Chemical Kinetic Database For Combustion Chemistry, Part 3. Index of Reactions and Summary of Recommended Rate Expressions. No. 42,24. - Verified by Karma James - -460: [92] Tsang, W. J Phys. Chem. Ref. Data 1990, 19, 1. - Tert-C4H9 + tert- C4H9 --> (CH3)3CC(CH3)3 - -461: [92] Tsang, W. J Phys. Chem. Ref. Data 1990, 19, 1. - Tert-C4H9 + HCO --> tert-C4H9CHO - -462: [92] Tsang, W. J Phys. Chem. Ref. Data 1990, 19, 1. - Tert-C4H9 + CH3CO --> tert-C4H9COCH3 - -463: [92] Tsang, W. J Phys. Chem. Ref. Data 1990, 19, 1. - Tert-C4H9 + CH3O --> tert-C4H9OCH3 - -464: [171] Fahr, A.; Laufer, A.; Klein, R.; Braun, W. J. Phys. Chem. 1991, 95, 3218. - Absolute value measured directly. Excitation: flash photolysis, analysis : Vis-UV absorption. Original Uncertainty 1.2E+13. - C2H3 + C2H3 --> (E)-CH2=CHCH=CH2 - -465: [165] Duran, R. P.; Amorebieta, V. T.; Colussi, A. J. J. Phys. Chem. 1988, 92, 636. - Ab initio. Pressure 0.10-1.0 atm. - C2H3 +.C2h --> CH2=CHC=CH - -466: [89] Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - C2H3 + HCO --> CH2=CHCHO - pg 1099, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 19,15. - Verified by Karma James - -467: [124] Heckmann, E.; Hippler, H.; Troe, J. Symp. Int. Combust. Proc.1996, 26, 543. - Absolute value measured directly. Excitation : thermal, analysis : Vis-UV absorption. - Phenyl + Phenyl --> Biphenyl - -468: [181] Park, J. ; Lin, M. C. J. Phys. Chem. A. 1997, 101, 14 - Absolute value measured directly. Excitation : flash photolysis, analysis : mass spectometry. Original Uncertainty 1.1E+12. - phenyl + phenyl --> biphenyl - -469: [182] Stoeckel, F.; Schuh, M. D.; Goldstein, N.; Atkinson, G.H. Chem. Phys. 1985, 95, 135 - Absolute value measured directly. Excitation : flash photolysis, abalysis : VIS-UV absorption. Original uncertainty 1.2E+13. - HCO + HCO --> (CHO)2 - -470: [89] Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - HCO + CH3CO --> CH3COCHO - pg 1102, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 22,15. - Verified by Karma James - -471: [89] Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - CH3CO + CH3CO --> (CH3CO)2 - pg 1103, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 22,22. - Verified by Karma James - -472: [183] DeMore, W. B.; Sander, S. P.; Golden, D. M.; Hampson, R. F.; Kurylo, M.J.; - Howard, C. J.; Ravishankara, A. R.; Kolb, C. E.; Molina, M .J. JPL publication 97-4 1997, 1. - (Rate constant is high pressure limit, original uncertainty 6.0E+12) - [97] Atkinson, R.; Baulch, D. L.; Cox, R. A.; Hampson, R. F., jr.; Kerr, J. A.; Rossi, M. J.; Troe, J. - J. Phys. Chem. Ref. Data 1997, 26, 1329 - OH + OH --> H2O2 - -473: [89] Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087. - CH3O + CH3O --> CH3OOCH3 - pg 1105, Chemical Kinetic Database For Combustion Chemistry, 2. Index of Reactions and Summary of Recommended Rate Expressions. No. 24,24. - Verified by Karma James - -474: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimation, based on half that recommended by Allara and Shaw [146] for H (rad) and R (rad) recombination reactions - -475: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimation, based on recommendations of Tsang [92] for CH3 + tC4H9 - -476: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimation based on half Tsang's [91] recommendation for CH3 + iC3H7 - -477: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimation for neoC5H11 + iC3H7, similar to tC4H9 + iC4H9 - -478: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimation based on Tsang's [92] reccomendation for tC4H9 Curran's estimation. About a factor of 2 slower than other - values from literature for smaller alkyl, based upon the consideration that rate constants decrease with the increasing size of R radical. - -479: [159] Curran, H.J.; Pit z, W.J.; Westbrook, C.K.; Dagaut, P.; Boettner, J.-C.; Cathonnet, M. Int. J. Chem. Kinet. 1998, 30, 229. - Curran's estimation in DME modeling for ketohydroperoxide decomposition - -480: Aäron Vandeputte, Ab initio study into the thermal decomposition of dimethyldisulfide, Unpublished work - -481: Aäron Vandeputte, Ab initio study into the thermal decomposition of dimethyldisulfide, Unpublished work - -482: Aäron Vandeputte, Ab initio study into the thermal decomposition of dimethyldisulfide, Unpublished work - -483: Aäron Vandeputte, Ab initio study into the thermal decomposition of dimethyldisulfide, Unpublished work diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Recombination/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/R_Recombination/dictionary.txt deleted file mode 100644 index 25a57610c1..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Recombination/dictionary.txt +++ /dev/null @@ -1,472 +0,0 @@ -// f06 : radical recombination (C.D.W. last modified : 1/24/03) -// SR, JS, get rid of biradical, 1/28/03 -// SR checked this on 1/31/2003 - -Y_rad -Union {H_rad, C_rad, O_rad, S_rad} - -H_rad -1 * H 1 - -C_rad -1 * C 1 - -Cs_rad -1 * Cs 1 - -C_methyl -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C_pri_rad -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H2/Cs -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H2/Cd -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cd 0 {1,S} - -C_rad/H2/Ct -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Ct 0 {1,S} - -C_rad/H2/Cb -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 Cb 0 {1,S} - -C_rad/H2/CO -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 CO 0 {1,S} - -C_rad/H2/O -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 O 0 {1,S} - -C_sec_rad -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/H/NonDeC -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/H/NonDeO -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/H/CsO -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 Cs 0 {1,S} -4 O 0 {1,S} - -C_rad/H/O2 -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 O 0 {1,S} -4 O 0 {1,S} - -C_rad/H/OneDe -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/H/OneDeC -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -C_rad/H/OneDeO -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} - -C_rad/H/TwoDe -1 * C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -C_ter_rad -1 * C 1 {2,S}, {3,S}, {4,S} -2 {R!H} 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -C_rad/NonDeC -1 * C 1 {2,S}, {3,S}, {4,S} -2 {Cs,O} 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/Cs3 -1 * C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/NDMustO -1 * C 1 {2,S}, {3,S}, {4,S} -2 O 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/OneDe -1 * C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/Cs2 -1 * C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C_rad/ODMustO -1 * C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/TwoDe -1 * C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O} 0 {1,S} - -C_rad/Cs -1 * C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -C_rad/TDMustO -1 * C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 O 0 {1,S} - -C_rad/ThreeDe -1 * C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_rad -1 * C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -Cd_pri_rad -1 * C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -Cd_sec_rad -1 * C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {R!H} 0 {1,S} - -Cd_rad/NonDe -1 * C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {Cs,O} 0 {1,S} - -Cd_rad/OneDe -1 * C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Ct_rad -1 * C 1 {2,T} -2 C 0 {1,T} - -Cb_rad -1 * Cb 1 - -CO_rad -1 * C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 R 0 {1,S} - -CO_pri_rad -1 * C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 H 0 {1,S} - -CO_sec_rad -1 * C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {R!H} 0 {1,S} - -CO_rad/NonDe -1 * C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cs,O} 0 {1,S} - -CO_rad/OneDe -1 * C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -O_rad -1 * O 1 {2,S} -2 R 0 {1,S} - -O_pri_rad -1 * O 1 {2,S} -2 H 0 {1,S} - -O_sec_rad -1 * O 1 {2,S} -2 {R!H} 0 {1,S} - -O_rad/NonDe -1 * O 1 {2,S} -2 {Cs,O} 0 {1,S} - -O_rad/OneDe -1 * O 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -////////////////////////////////////////////////////////////////// -// // -// Radicals C and S // -// Aaron Vandeputte // -// August 3rd 2009 // -// // -////////////////////////////////////////////////////////////////// - -CsJ-SsHH -1 * C 1 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CSH -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CsSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CdSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} {5,D} -3 Ss 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CtSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CbSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Cb 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-C=SSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} {5,D} -3 Ss 0 {1,S} -4 H 0 {1,S} -5 Sd 0 {2,D} - -CsJ-SsSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CCS -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCdSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cd 0 {1,S} {5,D} -4 Ss 0 {1,S} -5 C 0 {3,D} - -CsJ-CsCtSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Ct 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCbSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cb 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsC=SSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cd 0 {1,S} {5,D} -4 Ss 0 {1,S} -5 Sd 0 {3,D} - -CsJ-CSS -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} {5,D} -3 Ss 0 {1,S} -4 Ss 0 {1,S} -5 C 0 {2,D} - -CsJ-CtSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CbSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cb 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-C=SSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} {5,D} -3 Ss 0 {1,S} -4 Ss 0 {1,S} -5 Sd 0 {2,D} - -CsJ-SsSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CdsJ-Ss -1 * Cd 1 {2,S} -2 Ss 0 {1,S} - -C=SJ -1 * Cd 1 {2,D} {3,S} -2 Sd 0 {1,D} -3 R 0 {1,S} - -C=SJ-H -1 * Cd 1 {2,S} {3,D} -2 H 0 {1,S} -3 Sd 0 {1,D} - -C=SJ-C -1 * Cd 1 {2,S} {3,D} -2 C 0 {1,S} -3 Sd 0 {1,D} - -C=SJ-Cs -1 * Cd 1 {2,S} {3,D} -2 Cs 0 {1,S} -3 Sd 0 {1,D} - -C=SJ-Ss -1 * Cd 1 {2,S} {3,D} -2 Ss 0 {1,S} -3 Sd 0 {1,D} - -S_rad -Union {SJ, SJJ} - -SJ -1 * Ss 1 - -SJ-H -1 * Ss 1 {2,S} -2 H 0 {1,S} - -SJ-C -1 * Ss 1 {2,S} -2 C 0 {1,S} - -SJ-Cs -1 * Ss 1 {2,S} -2 Cs 0 {1,S} - -SJ-Cd -1 * Ss 1 {2,S} -2 Cd 0 {1,S} {3,D} -3 C 0 {2,D} - -SJ-Ct -1 * Ss 1 {2,S} -2 Ct 0 {1,S} - -SJ-Cb -1 * Ss 1 {2,S} -2 Cb 0 {1,S} - -SJ-C=S -1 * Ss 1 {2,S} -2 Cd 0 {1,S} {3,D} -3 Sd 0 {2,D} - -SJ-Ss -1 * Ss 1 {2,S} -2 Ss 0 {1,S} - -SJJ -1 * S 2 \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Recombination/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/R_Recombination/rateLibrary.txt deleted file mode 100644 index 6018dc9503..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Recombination/rateLibrary.txt +++ /dev/null @@ -1,75 +0,0 @@ -// rate library for f06: radical recombination -// Originally from rate_library_4.txt, Cath, 03/07/28 - -// Catherina Wijaya thesis pg 156 - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -//f06_radical_recombination - -//No. Y_rad Y_rad Temp. A n a E0 DA Dn Da DE0 Rank Comments -424. Y_rad Y_rad 300-1500 1E+13 0 0 0 0 0 0 0 0 Default -425. H_rad H_rad 278-372 1.09E+11 0 0 1.50 0 0 0 0 5 Dingle et al. [167] -426. H_rad C_methyl 300-2000 1.93E+14 0 0 0.27 0 0 0 0 3 Takahashi et al. [168] Transition state theory. -427. H_rad C_methyl 300-1000 2.11E+14 0 0 0 *2.0 0 0 0 4 Baulch et al. [94] literature review. -428. H_rad C_rad/H2/Cs 298 1.0E+14 0 0 0 *1.1 0 0 0 5 Sillensen et al [169] -429. H_rad C_rad/H/NonDeC 300-2000 2.0E+13 0 0 0 *3.16 0 0 0 4 Warnatz [134] literature review. -430. H_rad C_rad/H/NonDeC 298 1.5E+14 0 0 0 *1.25 0 0 0 5 Munk et al. [170] -431. H_rad Cd_pri_rad 298 1.21E+14 0 0 0 *1.7 0 0 0 3 Fahr et al. [171] -432. H_rad Cd_pri_rad 700-1300 5.36E+14 0 0 0.98 0 0 0 0 3 Duran et al. [165] -433. H_rad Ct_rad 300-2500 1.81E+14 0 0 0 *1.5 0 0 0 4 Tsang [89] literature review. -434. H_rad Cb_rad 300-1200 2.2E+14 0 0 0 *1.6 0 0 0 3 Davis et al. [172] Ackermann et al. [173] -435. H_rad CO_pri_rad 1500-1900 4.68E+10 0 0 -4.53 0 0 0 0 4 Tsuboi et al. [174] -436. H_rad O_pri_rad 300-2100 1.62E+14 0 0 0.15 0 0 0 0 3 Cobos et al. [106] -437. C_methyl C_methyl 300-2000 8.26E+17 -1.40 0 1.00 0 0 0 0 3 Pesa et al. [175] -438. C_methyl C_methyl 300-2000 3.61E+13 0 0 0 *2.0 0 0 0 4 Baulch et al. [94] literature review. -439. C_methyl C_rad/H2/Cs 300-2000 3.37E+13 0 0 0 *2.0 0 0 0 4 Baulch et al. [94] literature review. -440. C_methyl C_rad/H/NonDeC 713-1800 6.64E+14 -0.57 0 0 0 0 0 0 4 Tsang [176] RRK(M) extrapolation. -441. C_methyl C_rad/Cs3 300-2500 1.63E+13 0 0 -0.60 *2.0 0 0 0 4 Tsang [92] literature review. -442. C_methyl Cd_pri_rad 298 7.23E+13 0 0 0 *1.3 0 0 0 3 Fahr et al. [171] -443. C_methyl Cb_rad 300-980 1.38E+13 0 0 0.05 0 0 0 0.07 3 Tokmakov et al. [177] -444. C_methyl Cb_rad 424-972 1.39E+13 0 0 0.03 0 0 0 0.07 3 Park et al. [178] -445. C_methyl CO_pri_rad 300-2500 1.81E+13 0 0 0 *2.0 0 0 0 4 Tsang [89] literature review. -446. C_methyl CO_rad/NonDe 298 4.2E+13 0 0 0 0 0 0 0 4 Hassinen et al [179] -447. C_methyl CO_rad/NonDe 300-2500 4.04E+15 -0.80 0 0 *1.5 0 0 0 4 Tsang [89] literature review. -448. C_methyl O_pri_rad 300-2000 6.03E+13 0 0 0 *2.0 0 0 0 4 Baulch et al. [94] literature review. -449. C_methyl O_rad/NonDe 300-2500 1.21E+13 0 0 0 *5.0 0 0 0 4 Tsang [89] literature review. -450. C_rad/H2/Cs C_rad/H2/Cs 300-1200 1.15E+13 0 0 0 *2.0 0 0 0 4 Baulch et al. [95] literature review. -451. C_rad/H2/Cs C_rad/H/NonDeC 300-2500 1.15E+14 -0.35 0 0 *1.8 0 0 0 4 Tsang [91] literature review. -452. C_rad/H2/Cs C_rad/Cs3 300-2500 6.91E+14 -0.75 0 0 *2.0 0 0 0 4 Tsang [92] literature review. -453. C_rad/H2/Cs CO_pri_rad 300-2500 1.81E+13 0 0 0 *3.0 0 0 0 4 Tsang [89] literature review. -454. C_rad/H2/Cs CO_rad/NonDe 300-2500 3.12E+14 -0.50 0 0 *2.0 0 0 0 4 Tsang [89] literature review. -455. C_rad/H2/Cs O_pri_rad 200-400 7.69E+13 0 0 0 *1.1 0 0 0 4 Fagerstrom et al. [180] -456. C_rad/H/NonDeC C_rad/H/NonDeC 300-2500 3.25E+14 -0.70 0 0 *2.0 0 0 0 4 Tsang [91] literature review. -457. C_rad/H/NonDeC C_rad/Cs3 300-2500 4.12E+15 -1.10 0 0 *1.5 0 0 0 4 Tsang [92] literature review. -458. C_rad/H/NonDeC CO_rad/NonDe 300-2500 6.64E+13 -0.35 0 0 *2.0 0 0 0 4 Tsang [91] literature review. -459. C_rad/H/NonDeC O_rad/NonDe 300-2500 6.03E+12 0 0 0 *5.0 0 0 0 4 Tsang [91] literature review. -460. C_rad/Cs3 C_rad/Cs3 300-2500 1.24E+16 -1.50 0 0 *2.0 0 0 0 4 Tsang [92] literature review. -461. C_rad/Cs3 CO_pri_rad 300-2500 1.21E+13 0 0 0 *5.0 0 0 0 4 Tsang [92] literature review. -462. C_rad/Cs3 CO_rad/NonDe 300-2500 7.75E+14 -0.75 0 0 *2.0 0 0 0 4 Tsang [92] literature review. -463. C_rad/Cs3 O_rad/NonDe 300-2500 9.04E+12 0 0 0 *3.0 0 0 0 4 Tsang [92] literature review. -464. Cd_pri_rad Cd_pri_rad 298 7.23E+13 0 0 0 *1.2 0 0 0 4 Fahr et al. [171] -465. Cd_pri_rad Ct_rad 700-1300 1.0E+14 0 0 0 0 0 0 0 3 Duran et al. [165] -466. Cd_pri_rad CO_pri_rad 300-2500 1.81E+13 0 0 0 *3.0 0 0 0 4 Tsang [89] literature review. -467. Cb_rad Cb_rad 1100-1400 5.7E+12 0 0 0 0 0 0 0 3 Heckmann et al. [124] -468. Cb_rad Cb_rad 300-500 1.39E+13 0 0 0.11 *1.1 0 0 0.07 3 Park et al. [181] -469. CO_pri_rad CO_pri_rad 298 3.01E+13 0 0 0 *1.7 0 0 0 3 Stoeckel et al. [182] -470. CO_pri_rad CO_rad/NonDe 300-2500 1.81E+13 0 0 0 *3.0 0 0 0 4 Tsang [89] literature review. -471. CO_rad/NonDe CO_rad/NonDe 300-2500 1.21E+13 0 0 0 *2.0 0 0 0 4 Tsang [89] literature review. -472. O_pri_rad O_pri_rad 200-400 1.57E+13 0 0 0 *1.6 0 0 0 4 DeMore et al. [183] literature review. -473. O_rad/NonDe O_rad/NonDe 300-2500 1.81E+12 0 0 0 *5.0 0 0 0 4 Tsang [89] literature review. -474. H_rad Cs_rad 300-1500 5E+13 0 0 0 0 0 0 0 5 Curran's [8] estimation. -475. C_methyl C_ter_rad 300-1500 1.63E+13 0 0 0.596 0 0 0 0 5 Curran's [8] estimation. -476. C_methyl C_sec_rad 300-1500 6.80E+14 -0.68 0 0 0 0 0 0 5 Curran's [8] estimation. -477. C_pri_rad C_sec_rad 300-1500 4.79E+14 -0.75 0 0 0 0 0 0 5 Curran's [8] estimation. -478. C_pri_rad C_ter_rad 300-1500 3.59E+14 -0.75 0 0 0 0 0 0 5 Curran's [8] estimation. -479. O_pri_rad O_sec_rad 300-1500 2.0E+13 0 0 0 0 0 0 0 5 Curran's [159] estimation. - -// Added Aäron Vandeputte Aug 4th 2009 (VTST) - -480. SJ-Ss C_methyl 300-1500 6.44E+09 1.19 0.00 0.51 0 0 0 0 1 A.G. Vandeputte -481. SJ-Cs SJ-Cs 300-1500 4.36E+10 1.30 0.00 -0.88 0 0 0 0 1 A.G. Vandeputte -482. CsJ-SsHH H_rad 300-1500 8.20E+11 0.68 0.00 0.07 0 0 0 0 1 A.G. Vandeputte -483. SJ-H H_rad 300-1500 2.53E+13 0.56 0.00 -0.02 0 0 0 0 1 A.G. Vandeputte - \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Recombination/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/R_Recombination/reactionAdjList.txt deleted file mode 100644 index 01b219763b..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Recombination/reactionAdjList.txt +++ /dev/null @@ -1,21 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan 29, 2003 // -// // -////////////////////////////////////////////////////// - - -// f06 Radical Recombination - -Y_rad + Y_rad -> Y_Y - -forward -reverse(f08): Bond_Dissociation - -Actions 1 -(1) FORM_BOND {*1,S,*2} -(2) LOSE_RADICAL {*1,1} -(3) LOSE_RADICAL {*2,1} - diff --git a/output/RMG_database_sulfur/kinetics_groups/R_Recombination/tree.txt b/output/RMG_database_sulfur/kinetics_groups/R_Recombination/tree.txt deleted file mode 100644 index a73f29f9ec..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/R_Recombination/tree.txt +++ /dev/null @@ -1,181 +0,0 @@ -// f06 : radical recombination (C.D.W. last modified : Aug, 1, 2003) -// SR, JS, get rid of biradical, 1/28/03 -// SR checked on 1/31/2003 -// Aäron Vandeputte added slots for S atom 8/04/2009 - - -// f06_Radical Recombination - -L1: Y_rad - L2: H_rad - L2: C_rad - L3: Cs_rad - L4: C_methyl - L4: C_pri_rad - L5: C_rad/H2/Cs - L5: C_rad/H2/Cd - L5: C_rad/H2/Ct - L5: C_rad/H2/Cb - L5: C_rad/H2/CO - L5: C_rad/H2/O - L5: CsJ-SsHH - L4: C_sec_rad - L5: C_rad/H/NonDeC - L5: C_rad/H/NonDeO - L6: C_rad/H/CsO - L6: C_rad/H/O2 - L5: C_rad/H/OneDe - L6: C_rad/H/OneDeC - L6: C_rad/H/OneDeO - L5: C_rad/H/TwoDe - L5: CsJ-CSH - L6: CsJ-CsSsH - L6: CsJ-CdSsH - L6: CsJ-CtSsH - L6: CsJ-CbSsH - L6: CsJ-C=SSsH - L5: CsJ-SsSsH - L4: C_ter_rad - L5: C_rad/NonDeC - L6: C_rad/Cs3 - L6: C_rad/NDMustO - L5: C_rad/OneDe - L6: C_rad/Cs2 - L6: C_rad/ODMustO - L5: C_rad/TwoDe - L6: C_rad/Cs - L6: C_rad/TDMustO - L5: C_rad/ThreeDe - L5: CsJ-CSS - L6: CsJ-CsSsSs - L6: CsJ-CdSsSs - L6: CsJ-CtSsSs - L6: CsJ-CbSsSs - L6: CsJ-C=SSsSs - L5: CsJ-CCS - L6: CsJ-CsCsSs - L6: CsJ-CsCdSs - L6: CsJ-CsCtSs - L6: CsJ-CsCbSs - L6: CsJ-CsC=SSs - L5: CsJ-SsSsSs - L3: Cd_rad - L4: Cd_pri_rad - L4: Cd_sec_rad - L5: Cd_rad/NonDe - L5: Cd_rad/OneDe - L3: Ct_rad - L3: Cb_rad - L3: CO_rad - L4: CO_pri_rad - L4: CO_sec_rad - L5: CO_rad/NonDe - L5: CO_rad/OneDe - L3: C=SJ - L4: C=SJ-H - L4: C=SJ-C - L5: C=SJ-Cs - L4: C=SJ-Ss - L2: O_rad - L3: O_pri_rad - L3: O_sec_rad - L4: O_rad/NonDe - L4: O_rad/OneDe - L2: S_rad - L3: SJ - L4: SJ-H - L4: SJ-C - L5: SJ-Cs - L5: SJ-Cd - L5: SJ-Ct - L5: SJ-Cb - L5: SJ-C=S - L4: SJ-Ss - L3: SJJ - -L1: Y_rad - L2: H_rad - L2: C_rad - L3: Cs_rad - L4: C_methyl - L4: C_pri_rad - L5: C_rad/H2/Cs - L5: C_rad/H2/Cd - L5: C_rad/H2/Ct - L5: C_rad/H2/Cb - L5: C_rad/H2/CO - L5: C_rad/H2/O - L5: CsJ-SsHH - L4: C_sec_rad - L5: C_rad/H/NonDeC - L5: C_rad/H/NonDeO - L6: C_rad/H/CsO - L6: C_rad/H/O2 - L5: C_rad/H/OneDe - L6: C_rad/H/OneDeC - L6: C_rad/H/OneDeO - L5: C_rad/H/TwoDe - L5: CsJ-CSH - L6: CsJ-CsSsH - L6: CsJ-CdSsH - L6: CsJ-CtSsH - L6: CsJ-CbSsH - L6: CsJ-C=SSsH - L5: CsJ-SsSsH - L4: C_ter_rad - L5: C_rad/NonDeC - L6: C_rad/Cs3 - L6: C_rad/NDMustO - L5: C_rad/OneDe - L6: C_rad/Cs2 - L6: C_rad/ODMustO - L5: C_rad/TwoDe - L6: C_rad/Cs - L6: C_rad/TDMustO - L5: C_rad/ThreeDe - L5: CsJ-CSS - L6: CsJ-CsSsSs - L6: CsJ-CdSsSs - L6: CsJ-CtSsSs - L6: CsJ-CbSsSs - L6: CsJ-C=SSsSs - L5: CsJ-CCS - L6: CsJ-CsCsSs - L6: CsJ-CsCdSs - L6: CsJ-CsCtSs - L6: CsJ-CsCbSs - L6: CsJ-CsC=SSs - L5: CsJ-SsSsSs - L3: Cd_rad - L4: Cd_pri_rad - L4: Cd_sec_rad - L5: Cd_rad/NonDe - L5: Cd_rad/OneDe - L3: Ct_rad - L3: Cb_rad - L3: CO_rad - L4: CO_pri_rad - L4: CO_sec_rad - L5: CO_rad/NonDe - L5: CO_rad/OneDe - L3: C=SJ - L4: C=SJ-H - L4: C=SJ-C - L5: C=SJ-Cs - L4: C=SJ-Ss - L2: O_rad - L3: O_pri_rad - L3: O_sec_rad - L4: O_rad/NonDe - L4: O_rad/OneDe - L2: S_rad - L3: SJ - L4: SJ-H - L4: SJ-C - L5: SJ-Cs - L5: SJ-Cd - L5: SJ-Ct - L5: SJ-Cb - L5: SJ-C=S - L4: SJ-Ss - L3: SJJ \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/CVS/Entries deleted file mode 100644 index aeabacc6f4..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/CVS/Entries +++ /dev/null @@ -1,5 +0,0 @@ -/comments.txt/1.1/Wed Aug 5 18:25:54 2009// -/dictionary.txt/1.3/Wed Aug 5 18:37:44 2009// -/rateLibrary.txt/1.3/Wed Aug 5 21:29:37 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.1/Mon Jun 1 19:01:21 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/CVS/Repository deleted file mode 100644 index 10974d1496..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/H_Abstraction diff --git a/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/dictionary.txt deleted file mode 100644 index f1ab382b81..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/dictionary.txt +++ /dev/null @@ -1,2498 +0,0 @@ -// dictionary for f01: HAbstraction reaction -// original from dictionary.txt, CDW 10/20/2002 -// SR and JS correct errors and add more nodes, Nov., 20, 2002 -// get rid of dots following the ID, add index to the central nodes, JS, Jan., 03, 2003 -// S.R., C.D.W (1/21/03) add biradicals -// JS, remove CO_birad to form a new family later: CO + RH -> HCO + R. Aug, 26, 2003 - -// -// R-H Tree -// - -S-RR -1 *1 Ss 0 {2,S} {3,S} -2 *2 R 0 {1,S} -3 R 0 {1,S} - -S-HH -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} - -S-CH -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 C 0 {1,S} - -S-CsH -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} - -S-Cs(NonDe)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {H,Cs} 0 {3,S} -5 {H,Cs} 0 {3,S} -6 {H,Cs} 0 {3,S} - -S-Cs(HHH)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsHH)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsH)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsCs)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-Cs(OneDe)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {H,Cs} 0 {3,S} -5 {H,Cs} 0 {3,S} -6 {Cd,CO,Ct,Cb} 0 {3,S} - -S-Cs(CdHH)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cd 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CdCsH)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cd 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-Cs(CdCsCs)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cd 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-Cs(CtHH)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Ct 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CtCsH)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Ct 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-Cs(CtCsCs)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Ct 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-Cs(TwoDe)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {H,Cs} 0 {3,S} -5 {Cd,CO,Ct,Cb} 0 {3,S} -6 {Cd,CO,Ct,Cb} 0 {3,S} - -S-Cs(ThreeDe)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {Cd,CO,Ct,Cb} 0 {3,S} -5 {Cd,CO,Ct,Cb} 0 {3,S} -6 {Cd,CO,Ct,Cb} 0 {3,S} - -S-CdH -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-Cds(H)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} - -S-Cds(Cs)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} - -S-CtH -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Ct 0 {1,S} - -S-CbH -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cb 0 {1,S} - -S-COH -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 CO 0 {1,S} - -S-C=SH -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 Sd 0 {3,D} - -S-HC -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 C 0 {1,S} - -S-HCs -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} - -S-HCs(NonDe) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {H,Cs} 0 {3,S} -5 {H,Cs} 0 {3,S} -6 {H,Cs} 0 {3,S} - -S-HCs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-HCs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-HCs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-HCs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-HCs(OneDe) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {H,Cs} 0 {3,S} -5 {H,Cs} 0 {3,S} -6 {Cd,CO,Ct,Cb} 0 {3,S} - -S-HCs(CdHH) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cd 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-HCs(CdCsH) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cd 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-HCs(CdCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cd 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-HCs(CtHH) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Ct 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-HCs(CtCsH) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Ct 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-HCs(CtCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Ct 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-HCs(TwoDe) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {H,Cs} 0 {3,S} -5 {Cd,CO,Ct,Cb} 0 {3,S} -6 {Cd,CO,Ct,Cb} 0 {3,S} - -S-HCs(ThreeDe) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 {Cd,CO,Ct,Cb} 0 {3,S} -5 {Cd,CO,Ct,Cb} 0 {3,S} -6 {Cd,CO,Ct,Cb} 0 {3,S} - -S-HCd -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-HCds(H) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} - -S-HCds(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} - -S-HCt -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Ct 0 {1,S} - -S-HCb -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cb 0 {1,S} - -S-HCO -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 CO 0 {1,S} - -S-HC=S -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 Sd 0 {3,D} - -S-CC -1 *1 Ss 0 {2,S} {3,S} -2 *2 C 0 {1,S} -3 C 0 {1,S} - -S-CsCs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} -3 Cs 0 {1,S} - -S-Cs(NonDe)Cs(NonDe) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {H,Cs} 0 {3,S} -8 {H,Cs} 0 {3,S} -9 {H,Cs} 0 {3,S} - -S-Cs(HHH)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(HHH)Cs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsHH)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(HHH)Cs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsCsH)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(HHH)Cs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsCsCs)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsHH)Cs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cs 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsHH)Cs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 Cs 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsCsH)Cs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 Cs 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsHH)Cs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsCsCs)Cs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsCsH)Cs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsCsH)Cs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsCsCs)Cs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -S-Cs(CsCsCs)Cs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -S-Cs(NonDe)Cs(De) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 R 0 {3,S} -9 R 0 {3,S} - -S-Cs(NonDe)Cs(OneDe) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 {H,Cs} 0 {3,S} -9 {H,Cs} 0 {3,S} - -S-Cs(HHH)Cs(CdHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cd 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(HHH)Cs(CdCsH) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cd 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -S-Cs(HHH)Cs(CdCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cd 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -S-Cs(HHH)Cs(CtHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Ct 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(HHH)Cs(CtCsH) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Ct 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -S-Cs(HHH)Cs(CtCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Ct 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -S-Cs(NonDe)Cs(TwoDe) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 {Cd,Ct,Cb,CO} 0 {3,S} -9 {H,Cs} 0 {3,S} - -S-Cs(NonDe)Cs(ThreeDe) -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 {Cd,Ct,Cb,CO} 0 {3,S} -9 {Cd,Ct,Cb,CO} 0 {3,S} - -S-Cs(De)Cs(NonDe) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 R 0 {3,S} -9 R 0 {3,S} - -S-Cs(OneDe)Cs(NonDe) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 {H,Cs} 0 {3,S} -9 {H,Cs} 0 {3,S} - -S-Cs(CdHH)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cd 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CdCsH)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cd 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -S-Cs(CdCsCs)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Cd 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -S-Cs(CtHH)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Ct 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -S-Cs(CtCsH)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Ct 0 {3,S} -8 Cs 0 {3,S} -9 H 0 {3,S} - -S-Cs(CtCsCs)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 Ct 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -S-Cs(TwoDe)Cs(NonDe) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 {Cd,Ct,Cb,CO} 0 {3,S} -9 {H,Cs} 0 {3,S} - -S-Cs(ThreeDe)Cs(NonDe) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} -7 {Cd,Ct,Cb,CO} 0 {3,S} -8 {Cd,Ct,Cb,CO} 0 {3,S} -9 {Cd,Ct,Cb,CO} 0 {3,S} - -S-CsCd -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} -3 Cs 0 {1,S} -4 C 0 {2,D} - -S-Cs(HHH)Cds(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 H 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -S-Cs(CsHH)Cds(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 Cs 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -S-Cs(CsCsH)Cds(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 H 0 {3,S} - -S-Cs(CsCsCs)Cds(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -S-Cs(HHH)Cds(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 H 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -S-Cs(CsHH)Cds(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 Cs 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -S-Cs(CsCsH)Cds(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 H 0 {3,S} - -S-Cs(CsCsCs)Cds(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -S-CdCs -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} -3 *2 Cs 0 {1,S} -4 C 0 {2,D} - -S-Cds(H)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 H 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -S-Cds(H)Cs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 Cs 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -S-Cds(H)Cs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 H 0 {3,S} - -S-Cds(H)Cs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 H 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -S-Cds(Cs)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 H 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -S-Cds(Cs)Cs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 Cs 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} - -S-Cds(Cs)Cs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 H 0 {3,S} - -S-Cds(Cs)Cs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 Cs 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {2,D} -5 Cs 0 {2,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -S-CsCt -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Cs 0 {1,S} - -S-CtCs -1 *1 Ss 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 Cs 0 {1,S} - -S-Cs(HHH)Ct -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-CtCs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsHH)Ct -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-CtCs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsH)Ct -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-CtCs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsCs)Ct -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-CtCs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-CsCb -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cs 0 {1,S} - -S-CbCs -1 *1 Ss 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Cs 0 {1,S} - -S-Cs(HHH)Cb -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-CbCs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsHH)Cb -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-CbCs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsH)Cb -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-CbCs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsCs)Cb -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-CbCs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-CsCO -1 *1 Ss 0 {2,S} {3,S} -2 *2 CO 0 {1,S} -3 Cs 0 {1,S} - -S-COCs -1 *1 Ss 0 {2,S} {3,S} -2 CO 0 {1,S} -3 *2 Cs 0 {1,S} - -S-CsC=S -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} -3 Cs 0 {1,S} -4 Sd 0 {2,D} - -S-C=SCs -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} -3 *2 Cs 0 {1,S} -4 Sd 0 {2,D} - -S-CdCd -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {5,D} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} -5 C 0 {2,D} - -S-CdCt -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-CtCd -1 *1 Ss 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-CdCb -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-CbCd -1 *1 Ss 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-CdCO -1 *1 Ss 0 {2,S} {3,S} -2 *2 CO 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-COCd -1 *1 Ss 0 {2,S} {3,S} -2 CO 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-CdC=S -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {5,D} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} -5 Sd 0 {2,D} - -S-C=SCd -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {5,D} -3 *2 Cd 0 {1,S} {4,D} -4 C 0 {3,D} -5 Sd 0 {2,D} - -S-CtCt -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 Ct 0 {1,S} - -S-CtCb -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Ct 0 {1,S} - -S-CbCt -1 *1 Ss 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 Ct 0 {1,S} - -S-CtCO -1 *1 Ss 0 {2,S} {3,S} -2 *2 CO 0 {1,S} -3 Ct 0 {1,S} - -S-COCt -1 *1 Ss 0 {2,S} {3,S} -2 CO 0 {1,S} -3 *2 Ct 0 {1,S} - -S-CtC=S -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} -3 Ct 0 {1,S} -4 Sd 0 {2,D} - -S-C=SCt -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} -3 *2 Ct 0 {1,S} -4 Sd 0 {2,D} - -S-CbCb -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 Cb 0 {1,S} - -S-CbCO -1 *1 Ss 0 {2,S} {3,S} -2 *2 CO 0 {1,S} -3 Cb 0 {1,S} - -S-COCb -1 *1 Ss 0 {2,S} {3,S} -2 CO 0 {1,S} -3 *2 Cb 0 {1,S} - -S-CbC=S -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} -3 Cb 0 {1,S} -4 Sd 0 {2,D} - -S-C=SCb -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} -3 *2 Cb 0 {1,S} -4 Sd 0 {2,D} - -S-COCO -1 *1 Ss 0 {2,S} {3,S} -2 *2 CO 0 {1,S} -3 CO 0 {1,S} - -S-COC=S -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} -3 CO 0 {1,S} -4 Sd 0 {2,D} - -S-C=SCO -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} -3 *2 CO 0 {1,S} -4 Sd 0 {2,D} - -S-C=SC=S -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} -3 Cd 0 {1,S} {5,D} -4 Sd 0 {2,D} -5 Sd 0 {3,D} - -S-CS -1 *1 Ss 0 {2,S} {3,S} -2 *2 S 0 {1,S} -3 C 0 {1,S} - -S-CsSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} - -S-Cs(HHH)Ss(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Cs(CsHH)Ss(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Cs(CsCsH)Ss(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 H 0 {3,S} - -S-Cs(CsCsCs)Ss(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -S-Cs(HHH)Ss(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Cs(CsHH)Ss(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Cs(CsCsH)Ss(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 H 0 {3,S} - -S-Cs(CsCsCs)Ss(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -S-Cs(HHH)Ss(Ss) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Ss 0 {2,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Cs(CsHH)Ss(Ss) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Ss 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Cs(CsCsH)Ss(Ss) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Ss 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 H 0 {3,S} - -S-Cs(CsCsCs)Ss(Ss) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Ss 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -S-CdSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-Cds(H)Ss(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {6,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} -6 H 0 {2,S} - -S-Cds(H)Ss(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {6,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} -6 Cs 0 {2,S} - -S-Cds(H)Ss(Ss) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {6,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} -6 Ss 0 {2,S} - -S-Cds(Cs)Ss(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {6,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} -6 H 0 {2,S} - -S-Cds(Cs)Ss(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {6,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} -6 Cs 0 {2,S} - -S-Cds(Cs)Ss(Ss) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {6,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} -6 Ss 0 {2,S} - -S-CtSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Ct 0 {1,S} - -S-CbSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cb 0 {1,S} - -S-COSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 CO 0 {1,S} - -S-C=SSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 Sd 0 {3,D} - -S-SC -1 *1 Ss 0 {2,S} {3,S} -2 S 0 {1,S} -3 *2 C 0 {1,S} - -S-SsCs -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} -3 *2 Cs 0 {1,S} - -S-Ss(H)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Ss(H)Cs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Ss(H)Cs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 H 0 {3,S} - -S-Ss(H)Cs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -S-Ss(Cs)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Ss(Cs)Cs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Ss(Cs)Cs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 H 0 {3,S} - -S-Ss(Cs)Cs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -S-Ss(Ss)Cs(HHH) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Ss 0 {2,S} -5 H 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Ss(Ss)Cs(CsHH) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Ss 0 {2,S} -5 Cs 0 {3,S} -6 H 0 {3,S} -7 H 0 {3,S} - -S-Ss(Ss)Cs(CsCsH) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Ss 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 H 0 {3,S} - -S-Ss(Ss)Cs(CsCsCs) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Ss 0 {2,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -S-SsCd -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-Ss(H)Cds(H) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {6,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} -6 H 0 {2,S} - -S-Ss(Cs)Cds(H) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {6,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} -6 Cs 0 {2,S} - -S-Ss(Ss)Cds(H) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {6,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} -6 Ss 0 {2,S} - -S-Ss(H)Cds(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {6,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} -6 H 0 {2,S} - -S-Ss(Cs)Cds(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {6,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} -6 Cs 0 {2,S} - -S-Ss(Ss)Cds(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {6,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} -6 Ss 0 {2,S} - -S-SsCt -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} -3 *2 Ct 0 {1,S} - -S-SsCb -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} -3 *2 Cb 0 {1,S} - -S-SsCO -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} -3 *2 CO 0 {1,S} - -S-SsC=S -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 Sd 0 {3,D} - -S-SsH -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Ss 0 {1,S} - -S-Ss(H)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Ss 0 {1,S} {4,S} -4 H 0 {3,S} - -S-Ss(Cs)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Ss 0 {1,S} {4,S} -4 Cs 0 {3,S} - -S-Ss(Ss)H -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 Ss 0 {1,S} {4,S} -4 Ss 0 {3,S} - -S-HSs -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Ss 0 {1,S} - -S-HSs(H) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Ss 0 {1,S} {4,S} -4 H 0 {3,S} - -S-HSs(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Ss 0 {1,S} {4,S} -4 Cs 0 {3,S} - -S-HSs(Ss) -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Ss 0 {1,S} {4,S} -4 Ss 0 {3,S} - -S-SsSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Ss 0 {1,S} - -S-Ss(H)Ss(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {5,S} -3 Ss 0 {1,S} {4,S} -4 H 0 {3,S} -5 H 0 {2,S} - -S-Ss(Cs)Ss(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {5,S} -3 Ss 0 {1,S} {4,S} -4 Cs 0 {3,S} -5 H 0 {2,S} - -S-Ss(H)Ss(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {5,S} -3 *2 Ss 0 {1,S} {4,S} -4 Cs 0 {3,S} -5 H 0 {2,S} - -S-Ss(Ss)Ss(H) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {5,S} -3 Ss 0 {1,S} {4,S} -4 Ss 0 {3,S} -5 H 0 {2,S} - -S-Ss(H)Ss(Ss) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {5,S} -3 *2 Ss 0 {1,S} {4,S} -4 Ss 0 {3,S} -5 H 0 {2,S} - -S-Ss(Cs)Ss(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {5,S} -3 Ss 0 {1,S} {4,S} -4 Cs 0 {3,S} -5 Cs 0 {2,S} - -S-Ss(Cs)Ss(Ss) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {5,S} -3 Ss 0 {1,S} {4,S} -4 Cs 0 {3,S} -5 Ss 0 {2,S} - -S-Ss(Ss)Ss(Cs) -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {5,S} -3 *2 Ss 0 {1,S} {4,S} -4 Cs 0 {3,S} -5 Ss 0 {2,S} - -S-Ss(Ss)Ss(Ss) -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {5,S} -3 Ss 0 {1,S} {4,S} -4 Ss 0 {3,S} -5 Ss 0 {2,S} - -// -// RJ Tree -// - -YJ -union {HJ, CJ, O_rad, SJ, Y_1centerbirad} - -HJ -1 *3 H 1 - -CJ -1 *3 C 1 - -CsJ -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-HHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-OsOsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 H 0 {1,S} - -CsJ-OsOsOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} - -CsJ-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-OsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-OsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OsOsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsSsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {H,Cs,Os,Ss} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-OneDeHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CtHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CbHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-COHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-C=SHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 Sd 0 {2,D} - -CsJ-OneDeCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CtCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CbCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-COCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-C=SCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 Sd 0 {2,D} - -CsJ-OneDeCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CtCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-COCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-C=SCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Sd 0 {2,D} - -CsJ-OneDeOsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 H 0 {1,S} - -CsJ-OneDeSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-OneDeOsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OneDeOsOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Os 0 {1,S} - -CsJ-OneDeOsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Os 0 {1,S} -4 Ss 0 {1,S} - -CsJ-OneDeSsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -CsJ-OneDeSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-TwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-TwoDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -CsJ-CdCtH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ct 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cb 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 CO 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CdC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 C 0 {2,D} -6 Sd 0 {3,D} - -CsJ-CtCtH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ct 0 {1,S} -4 H 0 {1,S} - -CsJ-CtCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cb 0 {1,S} -4 H 0 {1,S} - -CsJ-CtCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-CtC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -CsJ-CbCbH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cb 0 {1,S} -4 H 0 {1,S} - -CsJ-CbCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-CbC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -CsJ-COCOH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 CO 0 {1,S} -4 H 0 {1,S} - -CsJ-COC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 H 0 {1,S} -5 Sd 0 {3,D} - -CsJ-C=SC=SH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 H 0 {1,S} -5 Sd 0 {2,D} -6 Sd 0 {3,D} - -CsJ-TwoDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} - -CsJ-CdCtCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ct 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cb 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 CO 0 {1,S} -4 Cs 0 {1,S} -5 C 0 {2,D} - -CsJ-CdC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 C 0 {2,D} -6 Sd 0 {3,D} - -CsJ-CtCtCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Ct 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CtC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ct 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -CsJ-CbCbCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cb 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CbC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cb 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -CsJ-COCOCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 CO 0 {1,S} -4 Cs 0 {1,S} - -CsJ-COC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 CO 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Cs 0 {1,S} -5 Sd 0 {3,D} - -CsJ-C=SC=SCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S}, {5,D} -3 Cd 0 {1,S}, {6,D} -4 Cs 0 {1,S} -5 Sd 0 {2,D} -6 Sd 0 {3,D} - -CsJ-TwoDeOs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Os 0 {1,S} - -CsJ-TwoDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-ThreeDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-H -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-Cs -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-Cd -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-Ct -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Ct 0 {1,S} - -CdsJ-Cb -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cb 0 {1,S} - -CdsJ-CO -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 CO 0 {1,S} - -CdsJ-C=S -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 Sd 0 {3,D} - -CdsJ-Os -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Os 0 {1,S} - -CdsJ-Ss -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Ss 0 {1,S} - -CtJ -1 *3 Ct 1 {2,T} -2 C 0 {1,T} - -CbJ -1 *3 Cb 1 - -C=SJ -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 R 0 {1,S} - -C=SJ-H -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 H 0 {1,S} - -C=SJ-Cs -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cs 0 {1,S} - -C=SJ-Cd -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -C=SJ-Ct -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Ct 0 {1,S} - -C=SJ-Cb -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cb 0 {1,S} - -C=SJ-CO -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 CO 0 {1,S} - -C=SJ-C=S -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 Sd 0 {3,D} - -C=SJ-Os -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Os 0 {1,S} - -C=SJ-Ss -1 *3 Cd 1 {2,D}, {3,S} -2 Sd 0 {1,D} -3 Ss 0 {1,S} - -CO_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 R 0 {1,S} - -CO_pri_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 H 0 {1,S} - -CO_sec_rad -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {R!H} 0 {1,S} - -CO_rad/NonDe -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cs,O} 0 {1,S} - -C2b -1 *3 C 1 {2,T} -2 C 1 {1,T} - - -CO_rad/OneDe -1 *3 C 1 {2,D}, {3,S} -2 O 0 {1,D} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -O_rad -1 *3 O 1 {2,S} -2 R 0 {1,S} - -O_pri_rad -1 *3 O 1 {2,S} -2 H 0 {1,S} - -O_sec_rad -1 *3 O 1 {2,S} -2 {R!H} 0 {1,S} - -O_rad/NonDeC -1 *3 O 1 {2,S} -2 Cs 0 {1,S} - -O_rad/NonDeO -1 *3 O 1 {2,S} -2 O 0 {1,S} - -O_rad/OneDe -1 *3 O 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -O2b -1 *3 O 1 {2,S} -2 O 1 {1,S} - -Y_1centerbirad -1 *3 {Cs,Cd,O} 2 - -//CO_birad -//1 *3 C 2T {2,D} -//2 O 0 {1,D} - -O_atom_triplet -1 *3 O 2 - -CH2_triplet -1 *3 C 2 {2,S}, {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -SJ -1 *3 Ss 1 {2,S} -2 R 0 {1,S} - -SsJ -1 *3 Ss 1 {2,S} -2 R 0 {1,S} - -SsJ-H -1 *3 Ss 1 {2,S} -2 H 0 {1,S} - -SsJ-Cs -1 *3 Ss 1 {2,S} -2 Cs 0 {1,S} - -SsJ-Ss -1 *3 Ss 1 {2,S} -2 Ss 0 {1,S} - -SsJ-OneDe -1 *3 Ss 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-Cd -1 *3 Ss 1 {2,S} -2 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -SsJ-Ct -1 *3 Ss 1 {2,S} -2 Ct 0 {1,S} - -SsJ-Cb -1 *3 Ss 1 {2,S} -2 Cb 0 {1,S} - -SsJ-CO -1 *3 Ss 1 {2,S} -2 CO 0 {1,S} - -SsJ-C=S -1 *3 Ss 1 {2,S} -2 Cd 0 {1,S}, {3,D} -3 Sd 0 {2,D} - diff --git a/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/rateLibrary.txt deleted file mode 100644 index 3b20ef3002..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/rateLibrary.txt +++ /dev/null @@ -1,160 +0,0 @@ -Arrhenius_EP - -// Defined as forward, so also include reverse reactions! - - -//No. S-R1R2 YJ Temp. A n a E0 DA Dn Da DE0 Rank Comments -1 S-HCs(HHH) HJ 300-1500 4.04E+08 1.49 0 3.9 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -2 S-HCs(CsHH) HJ 300-1500 4.11E+08 1.51 0 3.6 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -3 S-HCs(CsCsH) HJ 300-1500 2.84E+08 1.59 0 3.1 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -4 S-HCs(CsCsCs) HJ 300-1500 2.79E+08 1.63 0 2.4 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -5 S-HCds(H) HJ 300-1500 2.90E+08 1.54 0 4.5 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -6 S-HCds(Cs) HJ 300-1500 1.19E+06 2.44 0 4.7 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -7 S-HCs(CdHH) HJ 300-1500 1.42E+08 1.66 0 2.0 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -8 S-HCs(CdCsH) HJ 300-1500 2.93E+08 1.57 0 2.0 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -9 S-HCs(CdCsCs) HJ 300-1500 6.66E+08 1.56 0 1.7 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -10 S-HCs(CtHH) HJ 300-1500 2.81E+08 1.57 0 2.9 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -11 S-HCs(CtCsH) HJ 300-1500 7.79E+08 1.49 0 2.5 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -12 S-HCs(CtCsCs) HJ 300-1500 4.76E+08 1.51 0 2.1 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -13 S-Cs(HHH)Cs(HHH) HJ 300-1500 1.64E+08 1.52 0 3.4 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -14 S-Cs(HHH)Cs(CsHH) HJ 300-1500 1.98E+08 1.51 0 3.0 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -15 S-Cs(HHH)Cs(CsCsH) HJ 300-1500 3.68E+08 1.48 0 3.3 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -16 S-Cs(HHH)Cs(CsCsCs) HJ 300-1500 3.14E+08 1.50 0 2.9 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -17 S-Cs(HHH)Cds(H) HJ 300-1500 2.38E+10 0.79 0 8.2 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -18 S-Cs(HHH)Cds(Cs) HJ 300-1500 2.81E+09 1.15 0 5.9 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -19 S-Cs(HHH)Cs(CdHH) HJ 300-1500 2.53E+08 1.54 0 2.2 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -20 S-Cs(HHH)Cs(CdCsH) HJ 300-1500 4.05E+08 1.49 0 2.0 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -21 S-Cs(HHH)Cs(CdCsCs) HJ 300-1500 1.92E+08 1.57 0 1.6 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -22 S-Cs(HHH)Cs(CtHH) HJ 300-1500 1.33E+08 1.62 0 2.5 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -23 S-Cs(HHH)Cs(CtCsH) HJ 300-1500 1.87E+08 1.62 0 2.0 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -24 S-Cs(HHH)Cs(CtCsCs) HJ 300-1500 1.36E+08 1.63 0 1.9 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -25 S-Cs(HHH)Cs(HHH) HJ 300-1500 1.64E+08 1.52 0 3.4 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -26 S-Cs(CsHH)Cs(HHH) HJ 300-1500 6.81E+07 1.48 0 2.9 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -27 S-Cs(CsCsH)Cs(HHH) HJ 300-1500 6.57E+07 1.45 0 3.8 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -28 S-Cs(CsCsCs)Cs(HHH) HJ 300-1500 8.66E+07 1.54 0 4.5 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -29 S-Cds(H)Cs(HHH) HJ 300-1500 8.62E+07 1.53 0 4.6 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -30 S-Cds(Cs)Cs(HHH) HJ 300-1500 7.81E+07 1.60 0 5.3 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -31 S-Cs(CdHH)Cs(HHH) HJ 300-1500 1.61E+08 1.54 0 3.5 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -32 S-Cs(CdCsH)Cs(HHH) HJ 300-1500 1.34E+08 1.43 0 4.4 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -33 S-Cs(CdCsCs)Cs(HHH) HJ 300-1500 1.31E+08 1.52 0 5.1 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -34 S-Cs(CtHH)Cs(HHH) HJ 300-1500 1.21E+08 1.54 0 3.6 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -35 S-Cs(CtCsH)Cs(HHH) HJ 300-1500 1.42E+08 1.47 0 3.8 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -36 S-Cs(CtCsCs)Cs(HHH) HJ 300-1500 7.68E+07 1.59 0 4.6 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -37 S-HCs(HHH) CsJ-HHH 300-1500 5.13E+03 2.54 0 13.4 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -38 S-HCs(CsHH) CsJ-HHH 300-1500 9.81E+03 2.55 0 11.7 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -39 S-HCs(CsCsH) CsJ-HHH 300-1500 5.34E+03 2.54 0 10.7 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -40 S-HCs(CsCsCs) CsJ-HHH 300-1500 1.38E+06 1.59 0 9.2 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -41 S-HCds(H) CsJ-HHH 300-1500 4.32E+04 2.43 0 16.8 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -42 S-HCds(Cs) CsJ-HHH 300-1500 9.61E+01 3.24 0 14.9 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -43 S-HCs(CdHH) CsJ-HHH 300-1500 2.72E+03 2.64 0 8.2 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -44 S-HCs(CdCsH) CsJ-HHH 300-1500 3.42E+03 2.69 0 7.3 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -45 S-HCs(CdCsCs) CsJ-HHH 300-1500 9.75E+03 2.63 0 6.7 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -46 S-HCs(CtHH) CsJ-HHH 300-1500 3.47E+03 2.64 0 8.3 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -47 S-HCs(CtCsH) CsJ-HHH 300-1500 7.00E+03 2.65 0 7.2 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -48 S-HCs(CtCsCs) CsJ-HHH 300-1500 2.91E+03 2.60 0 6.8 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -49 S-Ss(H)Cs(HHH) HJ 300-1500 9.44E+07 1.64 0 5.8 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -50 S-Ss(Cs)Cs(HHH) HJ 300-1500 7.47E+07 1.66 0 5.1 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -51 S-HSs(H) HJ 300-1500 5.43E+08 1.56 0 0.8 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -52 S-Cs(HHH)Ss(H) HJ 300-1500 4.07E+08 1.60 0 0.9 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -53 S-HSs(Cs) HJ 300-1500 1.03E+09 1.54 0 0.9 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -54 S-Cs(HHH)Ss(Cs) HJ 300-1500 5.31E+08 1.60 0 0.9 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -55 S-HSs(H) CsJ-HHH 300-1500 2.93E+05 1.72 0 2.9 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -56 S-HSs(Cs) CsJ-HHH 300-1500 3.57E+03 2.63 0 4.1 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -57 S-Cs(HHH)Ss(H) CsJ-HHH 300-1500 2.02E+03 2.72 0 3.9 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -58 S-Cs(HHH)Ss(Cs) CsJ-HHH 300-1500 5.13E+03 2.66 0 4.7 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -59 S-Ss(H)Ss(H) HJ 300-1500 3.47E+08 1.64 0 1.8 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -60 S-HSs(Ss) HJ 300-1500 2.34E+09 1.56 0 0.5 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -61 S-Ss(Cs)Ss(H) HJ 300-1500 6.14E+08 1.63 0 1.5 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -62 S-Cs(HHH)Ss(Ss) HJ 300-1500 5.07E+08 1.58 0 1.0 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -63 S-Ss(Ss)Cs(HHH) HJ 300-1500 8.23E+07 1.64 0 5.1 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -64 S-Ss(H)Ss(Cs) HJ 300-1500 1.80E+08 1.66 0 2.0 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -65 S-HSs(Ss) HJ 300-1500 2.90E+09 1.58 0 0.5 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -66 S-Ss(Ss)Cs(HHH) HJ 300-1500 6.95E+07 1.64 0 5.1 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -67 S-Ss(Cs)Ss(Cs) HJ 300-1500 3.96E+08 1.66 0 1.6 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -68 S-Cs(HHH)Ss(Ss) HJ 300-1500 7.39E+08 1.61 0 0.7 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -69 S-Ss(H)Ss(H) CsJ-HHH 300-1500 2.41E+03 2.70 0 3.8 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -70 S-HSs(Ss) CsJ-HHH 300-1500 1.07E+04 2.68 0 1.7 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -71 S-Ss(H)Ss(Cs) CsJ-HHH 300-1500 3.56E+03 2.61 0 5.2 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -72 S-Cs(HHH)Ss(Ss) CsJ-HHH 300-1500 3.85E+03 2.69 0 1.6 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -73 S-Ss(Cs)Ss(H) CsJ-HHH 300-1500 2.49E+03 2.69 0 3.7 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -74 S-Cs(HHH)Ss(Ss) CsJ-HHH 300-1500 6.06E+03 2.68 0 3.2 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -75 S-Ss(Cs)Ss(Cs) CsJ-HHH 300-1500 3.71E+03 2.65 0 5.1 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -76 S-Cs(HHH)Ss(Ss) CsJ-HHH 300-1500 5.43E+03 2.68 0 3.3 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO - -77 S-HH CsJ-HHH 300-1500 1.48E+03 2.72 0 19.3 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -78 S-HH CsJ-CsHH 300-1500 1.02E+01 2.96 0 18.8 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -79 S-HH CsJ-CsCsH 300-1500 4.82E-01 3.24 0 18.5 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -80 S-HH CsJ-CsCsCs 300-1500 8.39E-02 3.51 0 18.2 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -81 S-HH CdsJ-H 300-1500 6.43E+00 3.21 0 8.2 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -82 S-HH CdsJ-Cs 300-1500 7.17E-01 3.37 0 9.7 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -83 S-HH CsJ-CdHH 300-1500 1.55E+01 3.29 0 31.8 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -84 S-HH CsJ-CdCsH 300-1500 2.54E+00 3.35 0 32.1 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -85 S-HH CsJ-CdCsCs 300-1500 4.60E-01 3.41 0 32.4 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -86 S-HH CsJ-CtHH 300-1500 2.93E+01 3.13 0 31.3 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -87 S-HH CsJ-CtCsH 300-1500 2.46E+00 3.23 0 31.2 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -88 S-HH CsJ-CtCsCs 300-1500 2.05E-01 3.46 0 31.2 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -89 S-Cs(HHH)H CsJ-HHH 300-1500 4.19E+01 2.89 0 15.7 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -90 S-Cs(HHH)H CsJ-CsHH 300-1500 9.63E-01 3.09 0 15.7 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -91 S-Cs(HHH)H CsJ-CsCsH 300-1500 7.19E-02 3.31 0 16.0 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -92 S-Cs(HHH)H CsJ-CsCsCs 300-1500 7.52E-03 3.43 0 16.6 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -93 S-Cs(HHH)H CdsJ-H 300-1500 3.46E+01 2.64 0 7.1 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -94 S-Cs(HHH)H CdsJ-Cs 300-1500 8.07E-01 3.02 0 7.1 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -95 S-Cs(HHH)H CsJ-CdHH 300-1500 1.78E+00 3.29 0 28.4 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -96 S-Cs(HHH)H CsJ-CdCsH 300-1500 2.50E-01 3.40 0 28.3 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -97 S-Cs(HHH)H CsJ-CdCsCs 300-1500 1.01E-02 3.51 0 28.8 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -98 S-Cs(HHH)H CsJ-CtHH 300-1500 1.33E+00 3.30 0 27.0 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -99 S-Cs(HHH)H CsJ-CtCsH 300-1500 6.74E-02 3.50 0 26.6 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -100 S-Cs(HHH)H CsJ-CtCsCs 300-1500 3.39E-03 3.67 0 27.1 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -101 S-Cs(HHH)H CsJ-HHH 300-1500 4.19E+01 2.89 0 15.7 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -102 S-Cs(CsHH)H CsJ-HHH 300-1500 4.85E+01 2.83 0 15.7 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -103 S-Cs(CsCsH)H CsJ-HHH 300-1500 2.67E+01 2.86 0 16.5 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -104 S-Cs(CsCsCs)H CsJ-HHH 300-1500 2.51E+01 2.82 0 17.9 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -105 S-Cds(H)H CsJ-HHH 300-1500 2.16E+01 2.93 0 15.3 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -106 S-Cds(Cs)H CsJ-HHH 300-1500 1.70E+01 2.82 0 17.0 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -107 S-Cs(CdHH)H CsJ-HHH 300-1500 3.87E+01 2.87 0 15.3 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -108 S-Cs(CdCsH)H CsJ-HHH 300-1500 3.50E+01 2.79 0 16.0 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -109 S-Cs(CdCsCs)H CsJ-HHH 300-1500 3.70E+01 2.83 0 17.0 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -110 S-Cs(CtHH)H CsJ-HHH 300-1500 4.50E+01 2.88 0 15.3 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -111 S-Cs(CtCsH)H CsJ-HHH 300-1500 6.08E+01 2.83 0 15.1 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -112 S-Cs(CtCsCs)H CsJ-HHH 300-1500 1.66E+01 2.91 0 16.2 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -113 S-HCs(HHH) CsJ-HHH 300-1500 5.54E+03 2.52 0 13.5 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -114 S-HCs(HHH) CsJ-CsHH 300-1500 7.33E+01 2.76 0 11.5 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -115 S-HCs(HHH) CsJ-CsCsH 300-1500 2.62E+00 2.96 0 10.7 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -116 S-HCs(HHH) CsJ-CsCsCs 300-1500 3.96E+01 2.74 0 9.5 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -117 S-HCs(HHH) CdsJ-H 300-1500 2.45E+02 2.88 0 5.1 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -118 S-HCs(HHH) CdsJ-Cs 300-1500 1.34E+01 2.97 0 4.5 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -119 S-HCs(HHH) CsJ-CdHH 300-1500 8.46E+01 3.04 0 22.5 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -120 S-HCs(HHH) CsJ-CdCsH 300-1500 8.56E+00 3.23 0 21.9 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -121 S-HCs(HHH) CsJ-CdCsCs 300-1500 1.93E+00 3.25 0 22.0 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -122 S-HCs(HHH) CsJ-CtHH 300-1500 1.03E+02 2.96 0 21.2 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -123 S-HCs(HHH) CsJ-CtCsH 300-1500 6.33E+00 3.16 0 20.5 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -124 S-HCs(HHH) CsJ-CtCsCs 300-1500 3.60E-01 3.32 0 20.4 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -125 S-Ss(H)H CsJ-HHH 300-1500 4.44E+01 3.04 0 16.6 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -126 S-Ss(Cs)H CsJ-HHH 300-1500 1.13E+01 3.03 0 16.0 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -127 S-HH SsJ-H 300-1500 8.04E+02 3.08 0 26.7 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -128 S-Cs(HHH)H SsJ-H 300-1500 7.52E+01 3.30 0 22.1 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -129 S-HH SsJ-Cs 300-1500 1.25E+00 4.01 0 24.8 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -130 S-Cs(HHH)H SsJ-Cs 300-1500 2.63E-02 4.22 0 20.4 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -131 S-HCs(HHH) SsJ-H 300-1500 1.18E+03 3.00 0 13.3 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -132 S-HCs(HHH) SsJ-Cs 300-1500 1.28E+00 3.85 0 12.6 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -133 S-Cs(HHH)Cs(HHH) SsJ-H 300-1500 1.77E+03 3.03 0 12.9 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -134 S-Cs(HHH)Cs(HHH) SsJ-Cs 300-1500 1.17E+00 3.89 0 12.0 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -135 S-Ss(H)H SsJ-H 300-1500 2.67E+01 3.36 0 21.6 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -136 S-HH SsJ-Ss 300-1500 8.59E-01 3.89 0 37.6 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -137 S-Ss(Cs)H SsJ-H 300-1500 8.36E+01 3.33 0 20.4 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -138 S-Cs(HHH)H SsJ-Ss 300-1500 4.13E-02 4.06 0 32.6 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -139 S-Ss(Ss)H CsJ-HHH 300-1500 6.85E+01 3.02 0 15.0 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -140 S-Ss(H)H SsJ-Cs 300-1500 2.02E-02 4.30 0 19.0 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -141 S-HH SsJ-Ss 300-1500 1.67E+00 3.91 0 39.9 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -142 S-Ss(Ss)H CsJ-HHH 300-1500 1.24E+01 3.01 0 15.0 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -143 S-Ss(Cs)H SsJ-Cs 300-1500 1.68E-02 4.25 0 17.7 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -144 S-Cs(HHH)H SsJ-Ss 300-1500 1.98E-02 4.09 0 34.5 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -145 S-Ss(H)Cs(HHH) SsJ-H 300-1500 4.67E+02 3.00 0 12.9 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -146 S-HCs(HHH) SsJ-Ss 300-1500 1.08E+00 3.79 0 23.3 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -147 S-Ss(H)Cs(HHH) SsJ-Cs 300-1500 9.23E-01 3.83 0 11.5 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -148 S-Cs(HHH)Cs(HHH) SsJ-Ss 300-1500 6.07E-01 3.80 0 25.6 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -149 S-Ss(Cs)Cs(HHH) SsJ-H 300-1500 2.37E+03 3.00 0 11.7 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -150 S-Cs(HHH)Cs(HHH) SsJ-Ss 300-1500 2.05E+00 3.80 0 22.5 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -151 S-Ss(Cs)Cs(HHH) SsJ-Cs 300-1500 1.07E+00 3.86 0 10.3 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO -152 S-Cs(HHH)Cs(HHH) SsJ-Ss 300-1500 6.15E-01 3.78 0 24.9 0 0 0 0 1 Aäron Vandeputte CBS-QB3 HO - diff --git a/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/reactionAdjList.txt deleted file mode 100644 index cc1f4ab5fe..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/reactionAdjList.txt +++ /dev/null @@ -1,25 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Aäron Vandeputte 11 aug 2009 // -// // -////////////////////////////////////////////////////// - - -// f01 Substitution on S - -S-RR + YJ -> RJ + S-YR - -forward -reverse(f23): SubstitutionS - -//thermo_consistence - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) FORM_BOND {*1,S,*3} -(3) GAIN_RADICAL {*2,1} -(4) LOSE_RADICAL {*3,1} - - diff --git a/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/tree.txt b/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/tree.txt deleted file mode 100644 index ebbdb443cd..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/SubstitutionS/tree.txt +++ /dev/null @@ -1,395 +0,0 @@ -// -// Tree fully developped by Aäron Vandeputte Aug 11th 2009 -// -// Molecule tree departs from the idea that the rates are dependent of both -// groups neighboring the sulfur atom -// -// Radical tree is exactly the same as for H abstraction reactions -// - -L1: S-RR - L2: S-HH - L2: S-CH - L3: S-CsH - L4: S-Cs(NonDe)H - L5: S-Cs(HHH)H - L5: S-Cs(CsHH)H - L5: S-Cs(CsCsH)H - L5: S-Cs(CsCsCs)H - L4: S-Cs(OneDe)H - L5: S-Cs(CdHH)H - L5: S-Cs(CdCsH)H - L5: S-Cs(CdCsCs)H - L5: S-Cs(CtHH)H - L5: S-Cs(CtCsH)H - L5: S-Cs(CtCsCs)H - L4: S-Cs(TwoDe)H - L4: S-Cs(ThreeDe)H - L3: S-CdH - L4: S-Cds(H)H - L4: S-Cds(Cs)H - L3: S-CtH - L3: S-CbH - L3: S-COH - L3: S-C=SH - L2: S-HC - L3: S-HCs - L4: S-HCs(NonDe) - L5: S-HCs(HHH) - L5: S-HCs(CsHH) - L5: S-HCs(CsCsH) - L5: S-HCs(CsCsCs) - L4: S-HCs(OneDe) - L5: S-HCs(CdHH) - L5: S-HCs(CdCsH) - L5: S-HCs(CdCsCs) - L5: S-HCs(CtHH) - L5: S-HCs(CtCsH) - L5: S-HCs(CtCsCs) - L4: S-HCs(TwoDe) - L4: S-HCs(ThreeDe) - L3: S-HCd - L4: S-HCds(H) - L4: S-HCds(Cs) - L3: S-HCt - L3: S-HCb - L3: S-HCO - L3: S-HC=S - L2: S-CC - L3: S-CsCs - L4:S-Cs(NonDe)Cs(NonDe) - L5: S-Cs(HHH)Cs(HHH) - L5: S-Cs(HHH)Cs(CsHH) - L5: S-Cs(CsHH)Cs(HHH) - L5: S-Cs(HHH)Cs(CsCsH) - L5: S-Cs(CsCsH)Cs(HHH) - L5: S-Cs(HHH)Cs(CsCsCs) - L5: S-Cs(CsCsCs)Cs(HHH) - L5: S-Cs(CsHH)Cs(CsHH) - L5: S-Cs(CsHH)Cs(CsCsH) - L5: S-Cs(CsCsH)Cs(CsHH) - L5: S-Cs(CsHH)Cs(CsCsCs) - L5: S-Cs(CsCsCs)Cs(CsHH) - L5: S-Cs(CsCsH)Cs(CsCsH) - L5: S-Cs(CsCsH)Cs(CsCsCs) - L5: S-Cs(CsCsCs)Cs(CsCsH) - L5: S-Cs(CsCsCs)Cs(CsCsCs) - L4: S-Cs(NonDe)Cs(De) - L5: S-Cs(NonDe)Cs(OneDe) - L6: S-Cs(HHH)Cs(CdHH) - L6: S-Cs(HHH)Cs(CdCsH) - L6: S-Cs(HHH)Cs(CdCsCs) - L6: S-Cs(HHH)Cs(CtHH) - L6: S-Cs(HHH)Cs(CtCsH) - L6: S-Cs(HHH)Cs(CtCsCs) - L5: S-Cs(NonDe)Cs(TwoDe) - L5: S-Cs(NonDe)Cs(ThreeDe) - L4: S-Cs(De)Cs(NonDe) - L5: S-Cs(OneDe)Cs(NonDe) - L6: S-Cs(CdHH)Cs(HHH) - L6: S-Cs(CdCsH)Cs(HHH) - L6: S-Cs(CdCsCs)Cs(HHH) - L6: S-Cs(CtHH)Cs(HHH) - L6: S-Cs(CtCsH)Cs(HHH) - L6: S-Cs(CtCsCs)Cs(HHH) - L5: S-Cs(TwoDe)Cs(NonDe) - L5: S-Cs(ThreeDe)Cs(NonDe) - L3: S-CsCd - L4: S-Cs(HHH)Cds(H) - L4: S-Cs(CsHH)Cds(H) - L4: S-Cs(CsCsH)Cds(H) - L4: S-Cs(CsCsCs)Cds(H) - L4: S-Cs(HHH)Cds(Cs) - L4: S-Cs(CsHH)Cds(Cs) - L4: S-Cs(CsCsH)Cds(Cs) - L4: S-Cs(CsCsCs)Cds(Cs) - L3: S-CdCs - L4: S-Cds(H)Cs(HHH) - L4: S-Cds(H)Cs(CsHH) - L4: S-Cds(H)Cs(CsCsH) - L4: S-Cds(H)Cs(CsCsCs) - L4: S-Cds(Cs)Cs(HHH) - L4: S-Cds(Cs)Cs(CsHH) - L4: S-Cds(Cs)Cs(CsCsH) - L4: S-Cds(Cs)Cs(CsCsCs) - L3: S-CsCt - L4: S-Cs(HHH)Ct - L4: S-Cs(CsHH)Ct - L4: S-Cs(CsCsH)Ct - L4: S-Cs(CsCsCs)Ct - L3: S-CtCs - L4: S-CtCs(HHH) - L4: S-CtCs(CsHH) - L4: S-CtCs(CsCsH) - L4: S-CtCs(CsCsCs) - L3: S-CsCb - L4: S-Cs(HHH)Cb - L4: S-Cs(CsHH)Cb - L4: S-Cs(CsCsH)Cb - L4: S-Cs(CsCsCs)Cb - L3: S-CbCs - L4: S-CbCs(HHH) - L4: S-CbCs(CsHH) - L4: S-CbCs(CsCsH) - L4: S-CbCs(CsCsCs) - L3: S-CsCO - L3: S-COCs - L3: S-CsC=S - L3: S-C=SCs - L3: S-CdCd - L3: S-CdCt - L3: S-CtCd - L3: S-CdCb - L3: S-CbCd - L3: S-CdCO - L3: S-COCd - L3: S-CdC=S - L3: S-C=SCd - L3: S-CtCt - L3: S-CtCb - L3: S-CbCt - L3: S-CtCO - L3: S-COCt - L3: S-CtC=S - L3: S-C=SCt - L3: S-CbCb - L3: S-CbCO - L3: S-COCb - L3: S-CbC=S - L3: S-C=SCb - L3: S-COCO - L3: S-COC=S - L3: S-C=SCO - L3: S-C=SC=S - L2: S-CS - L3: S-CsSs - L4: S-Cs(HHH)Ss(H) - L4: S-Cs(CsHH)Ss(H) - L4: S-Cs(CsCsH)Ss(H) - L4: S-Cs(CsCsCs)Ss(H) - L4: S-Cs(HHH)Ss(Cs) - L4: S-Cs(CsHH)Ss(Cs) - L4: S-Cs(CsCsH)Ss(Cs) - L4: S-Cs(CsCsCs)Ss(Cs) - L4: S-Cs(HHH)Ss(Ss) - L4: S-Cs(CsHH)Ss(Ss) - L4: S-Cs(CsCsH)Ss(Ss) - L4: S-Cs(CsCsCs)Ss(Ss) - L3: S-CdSs - L4: S-Cds(H)Ss(H) - L4: S-Cds(H)Ss(Cs) - L4: S-Cds(H)Ss(Ss) - L4: S-Cds(Cs)Ss(H) - L4: S-Cds(Cs)Ss(Cs) - L4: S-Cds(Cs)Ss(Ss) - L3: S-CtSs - L3: S-CbSs - L3: S-COSs - L3: S-C=SSs - L2: S-SC - L3: S-SsCs - L4: S-Ss(H)Cs(HHH) - L4: S-Ss(H)Cs(CsHH) - L4: S-Ss(H)Cs(CsCsH) - L4: S-Ss(H)Cs(CsCsCs) - L4: S-Ss(Cs)Cs(HHH) - L4: S-Ss(Cs)Cs(CsHH) - L4: S-Ss(Cs)Cs(CsCsH) - L4: S-Ss(Cs)Cs(CsCsCs) - L4: S-Ss(Ss)Cs(HHH) - L4: S-Ss(Ss)Cs(CsHH) - L4: S-Ss(Ss)Cs(CsCsH) - L4: S-Ss(Ss)Cs(CsCsCs) - L3: S-SsCd - L4: S-Ss(H)Cds(H) - L4: S-Ss(Cs)Cds(H) - L4: S-Ss(Ss)Cds(H) - L4: S-Ss(H)Cds(Cs) - L4: S-Ss(Cs)Cds(Cs) - L4: S-Ss(Ss)Cds(Cs) - L3: S-SsCt - L3: S-SsCb - L3: S-SsCO - L3: S-SsC=S - L2: S-SsH - L3: S-Ss(H)H - L3: S-Ss(Cs)H - L3: S-Ss(Ss)H - L2: S-HSs - L3: S-HSs(H) - L3: S-HSs(Cs) - L3: S-HSs(Ss) - L2: S-SsSs - L3: S-Ss(H)Ss(H) - L3: S-Ss(Cs)Ss(H) - L3: S-Ss(H)Ss(Cs) - L3: S-Ss(Ss)Ss(H) - L3: S-Ss(H)Ss(Ss) - L3: S-Ss(Cs)Ss(Cs) - L3: S-Ss(Cs)Ss(Ss) - L3: S-Ss(Ss)Ss(Cs) - L3: S-Ss(Ss)Ss(Ss) - -// Radical tree, see also H abstraction reactions - -L1: YJ - L2: HJ - L2: CJ - L3: CsJ - L4: CsJ-HHH - L4: CsJ-CsHH - L4: CsJ-CsCsH - L4: CsJ-CsCsCs - L4: CsJ-OsHH - L4: CsJ-OsCsH - L4: CsJ-OsCsCs - L4: CsJ-OsOsH - L4: CsJ-OsOsCs - L4: CsJ-OsOsOs - L4: CsJ-SsHH - L4: CsJ-SsCsH - L4: CsJ-SsCsCs - L4: CsJ-SsSsH - L4: CsJ-SsSsCs - L4: CsJ-SsSsSs - L4: CsJ-OneDe - L5: CsJ-OneDeHH - L6: CsJ-CdHH - L6: CsJ-CtHH - L6: CsJ-CbHH - L6: CsJ-COHH - L6: CsJ-C=SHH - L5: CsJ-OneDeCsH - L6: CsJ-CdCsH - L6: CsJ-CtCsH - L6: CsJ-CbCsH - L6: CsJ-COCsH - L6: CsJ-C=SCsH - L5: CsJ-OneDeOsH - L5: CsJ-OneDeSsH - L5: CsJ-OneDeCsCs - L6: CsJ-CdCsCs - L6: CsJ-CtCsCs - L6: CsJ-CbCsCs - L6: CsJ-COCsCs - L6: CsJ-C=SCsCs - L5: CsJ-OneDeOsCs - L5: CsJ-OneDeSsCs - L5: CsJ-OneDeOsOs - L5: CsJ-OneDeOsSs - L5: CsJ-OneDeSsSs - L4: CsJ-TwoDe - L5: CsJ-TwoDeH - L6: CsJ-CdCdH - L6: CsJ-CdCtH - L6: CsJ-CdCbH - L6: CsJ-CdCOH - L6: CsJ-CdC=SH - L6: CsJ-CtCtH - L6: CsJ-CtCbH - L6: CsJ-CtCOH - L6: CsJ-CtC=SH - L6: CsJ-CbCbH - L6: CsJ-CbCOH - L6: CsJ-CbC=SH - L6: CsJ-COCOH - L6: CsJ-COC=SH - L6: CsJ-C=SC=SH - L5: CsJ-TwoDeCs - L6: CsJ-CdCdCs - L6: CsJ-CdCtCs - L6: CsJ-CdCbCs - L6: CsJ-CdCOCs - L6: CsJ-CdC=SCs - L6: CsJ-CtCtCs - L6: CsJ-CtCbCs - L6: CsJ-CtCOCs - L6: CsJ-CtC=SCs - L6: CsJ-CbCbCs - L6: CsJ-CbCOCs - L6: CsJ-CbC=SCs - L6: CsJ-COCOCs - L6: CsJ-COC=SCs - L6: CsJ-C=SC=SCs - L5: CsJ-TwoDeOs - L5: CsJ-TwoDeSs - L4: CsJ-ThreeDe - L3: CdsJ - L4: CdsJ-H - L4: CdsJ-Cs - L4: CdsJ-Cd - L4: CdsJ-Ct - L4: CdsJ-Cb - L4: CdsJ-CO - L4: CdsJ-C=S - L4: CdsJ-Os - L4: CdsJ-Ss - L3: CtJ - L3: CbJ - L3: C=SJ - L4: C=SJ-H - L4: C=SJ-Cs - L4: C=SJ-Cd - L4: C=SJ-Ct - L4: C=SJ-Cb - L4: C=SJ-CO - L4: C=SJ-C=S - L4: C=SJ-Os - L4: C=SJ-Ss - -// -// This section not updated yet -// - - L3: CO_rad - L4: CO_pri_rad - L4: CO_sec_rad - L5: CO_rad/NonDe - L5: CO_rad/OneDe - - L3: C2b - - L2: O_rad - L3: O_pri_rad - L3: O_sec_rad - L4: O_rad/NonDeC - L4: O_rad/NonDeO - L4: O_rad/OneDe - L3: O2b - - L2: Y_1centerbirad - //L3: CO_birad - L3: O_atom_triplet - L3: CH2_triplet - -// -// Up to here -// - - L2: SJ - L3: SsJ - L4: SsJ-H - L4: SsJ-Cs - L4: SsJ-Ss - L4: SsJ-OneDe - L5: SsJ-Cd - L5: SsJ-Ct - L5: SsJ-Cb - L5: SsJ-CO - L5: SsJ-C=S - - - - - - - - - - - - - - - - diff --git a/output/RMG_database_sulfur/kinetics_groups/families.txt b/output/RMG_database_sulfur/kinetics_groups/families.txt deleted file mode 100644 index 4e5ea5e618..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/families.txt +++ /dev/null @@ -1,46 +0,0 @@ -//////////////////////////////////////////////////////////////////////////////// -// -// REACTION FAMILIES USED BY RMG -// -// Created 1 Jun 2009 by Josh Allen (jwallen@mit.edu) -// -// Notes: -// -// The name of each forward reaction should match up with a folder -// in this directory containing the dictionary, tree, library, and adjusts -// for that family. -// -// Families can be deactivated by simply changing the "on/off" column to off. -// -//////////////////////////////////////////////////////////////////////////////// - -// No. on/off Forward reaction -1 on Cyclic_Ether_Formation -2 on intra_OH_migration -3 on H_Abstraction -4 on R_Addition_MultipleBond -5 on R_Recombination -6 off Disproportionation -7 off Disproportionation_O2d -8 on 1,2_Insertion -9 on 1,3_Insertion_CO2 -10 on 1,3_Insertion_ROR -11 on 1+2_Cycloaddition -12 on 2+2_cycloaddition_Cd -13 on 2+2_cycloaddition_CO -14 on 2+2_cycloaddition_CCO -15 on Diels_alder_addition -16 on intra_H_migration -17 on HO2_Elimination_from_PeroxyRadical -18 on Birad_recombination -19 on Oa_R_Recombination -20 on R_Addition_COm -21 on Intra_R_Add_Exocyclic -22 on Intra_R_Add_Endocyclic -23 on SubstitutionS -24 on intra_substitutionS_cyclization -25 on intra_substitutionS_isomerization -26 on intra_substitutionCS_cyclization -27 on intra_substitutionCS_isomerization -28 off Birad_recombination2 -29 off 1,2_shiftS \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/CVS/Entries deleted file mode 100644 index 04c3fd041e..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/CVS/Entries +++ /dev/null @@ -1,5 +0,0 @@ -/comments.txt/1.1/Wed Aug 5 18:25:54 2009// -/dictionary.txt/1.2/Tue Jun 9 16:08:43 2009// -/rateLibrary.txt/1.3/Wed Aug 5 21:29:37 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.2/Fri Jun 12 21:36:57 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/CVS/Repository deleted file mode 100644 index a0b71d758d..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/intra_H_migration diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/comments.txt b/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/comments.txt deleted file mode 100644 index 913a7022cf..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/comments.txt +++ /dev/null @@ -1,548 +0,0 @@ -615: [5] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 1998, 114, 149. - Currans's estimation in his reaction type 5. - -616: [5] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 1998, 114, 149. - Currans's estimation in his reaction type 5. - -617: [5] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 1998, 114, 149. - Currans's estimation in his reaction type 5. - -618: [5] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 1998, 114, 149. - Currans's estimation in his reaction type 5. - -619: [5] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 1998, 114, 149. - Currans's estimation in his reaction type 5. - -620: [5] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 1998, 114, 149. - Currans's estimation in his reaction type 5. - -621: [5] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 1998, 114, 149. - Currans's estimation in his reaction type 5. - -622: [5] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 1998, 114, 149. - Currans's estimation in his reaction type 5. - -623: [5] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 1998, 114, 149. - Currans's estimation in his reaction type 5. - -624: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimstion in his reaction type 12 RO2 isomerization. - -625: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimstion in his reaction type 12 RO2 isomerization. - -626: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimstion in his reaction type 12 RO2 isomerization. - -627: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimstion in his reaction type 12 RO2 isomerization. - -628: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimstion in his reaction type 12 RO2 isomerization. - -629: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimstion in his reaction type 12 RO2 isomerization. - -630: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimstion in his reaction type 12 RO2 isomerization. - -631: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimstion in his reaction type 12 RO2 isomerization. - -632: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimstion in his reaction type 12 RO2 isomerization. - -633: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimstion in his reaction type 12 RO2 isomerization. - -634: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimstion in his reaction type 12 RO2 isomerization. - -635: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimstion in his reaction type 12 RO2 isomerization. - -636: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -637: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -638: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -639: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -640: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -641: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -642: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -643: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -644: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -645: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -646: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -647: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -648: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -649: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -650: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -651: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -652: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -653: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -654: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -655: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -656: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -657: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -658: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -659: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -660: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -661: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -662: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -663: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -664: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -665: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -666: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -667: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -668: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -669: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -670: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -671: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -672: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -673: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -674: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -675: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -676: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -677: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -678: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -679: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -680: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -681: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -682: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -683: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -684: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -685: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -686: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -687: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -688: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -689: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -690: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -691: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -692: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -693: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -694: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -695: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -696: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -697: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -698: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -699: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -700: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -701: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -702: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -703: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -704: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -705: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -706: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -707: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -708: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -709: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -710: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -711: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -712: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -713: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -714: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -715: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -716: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -717: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -718: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -719: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -720: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -721: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -722: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -723: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -724: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -725: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -726: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -727: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -728: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -729: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -730: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -731: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -732: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -733: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -734: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -735: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -736: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -737: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -738: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -739: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -740: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -741: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -742: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -743: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -744: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -745: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -746: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -747: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -748: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -749: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -750: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -751: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -752: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -753: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -754: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -755: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -756: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -757: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -758: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -759: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -760: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -761: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -762: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -763: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -764: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -765: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -766: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -767: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -768: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -769: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -770: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -771: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -772: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -773: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -774: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -775: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -776: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -777: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -778: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -779: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -780: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -781: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -782: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -783: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -784: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -785: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -786: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -787: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -788: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -789: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -790: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -791: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -792: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -793: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -794: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -795: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -796: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -797: Sumathy B3LYP/CCPVDZ calculations (hindered rotor potential barrier calculations at B3LYP/6-31G(d')) - -798: Sumathy CBS-Q calculations - -799: Sumathy CBS-Q calculations - -800: Sumathy CBS-Q calculations - -801: Sumathy CBS-Q calculations - -802: Sumathy CBS-Q calculations - -803: Sumathy CBS-Q calculations - -804: Sumathy CBS-Q calculations - -805: Sumathy CBS-Q calculations - -806: Sumathy CBS-Q calculations - -807: - -808: - -809: - -810: - -811: - -812: - -813: CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. - -814: CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. - -815: CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. - -816: CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. - -817: CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. - -818: CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. - -819: CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. - -820: CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. - -821: CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). Including treatment of hindered rotor. - -822: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimation in reaction type 19, QOOH = cyclic ether + OH - -823: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimation in reaction type 19, QOOH = cyclic ether + OH - -824: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimation in reaction type 19, QOOH = cyclic ether + OH - -825: [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. - Curran's estimation in reaction type 19, QOOH = cyclic ether + OH - -826: - -827: CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. - -828: CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. - -829: CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. - -830: CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. - -831: CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. - -832: CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. - -833: CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. - -834: CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. - -835: Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. - -836: Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. - -837: Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. - -838: Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. - -839: Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. - -840: Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. - -841: Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. - -842: Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. - -843: Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. - -844: Sumathy's CBS-QB3 calculations. Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d') level. - -845: - -846: - -847: - -848: - -849: - -850: Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - -851: Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - -852: Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - -853: Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - -854: Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - -855: Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - -856: Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - -857: Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - -858: Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - -859: Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - -860: Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - -861: Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - -862: Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - -863: Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - -864: Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - -865: Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - -866: Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - -867: Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - -868: Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - -869: Sandeep and Sumathy paper (submitted to JPCA 2009), intra_H_migration of ROO & HOOQOO. - -870: Sandeep's CBS-QB3 calculations. - -871: Sandeep's CBS-QB3 calculations. - -872: Sandeep's CBS-QB3 calculations. - -873: Sandeep's CBS-QB3 calculations. - -874: Sandeep's CBS-QB3 calculations. - -875: Sandeep's CBS-QB3 calculations. - - diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/dictionary.txt deleted file mode 100644 index 5c5bcb00b1..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/dictionary.txt +++ /dev/null @@ -1,1604 +0,0 @@ -//out-molecular hydrogen migration (S.R.1/22/03) -//Y(.)RH---->HY---R(.) -//f25_intramolecular_HA -//get rid of Cbf in some nodes -//C.D.W. 04/17/03: added C_rad_out_Cs2_cy3, Cs_H_out_Cs2_cy3, etc. -//for cases where the radical center or XH has "outside" ring attached to it, -//for e.g. cy3(.)CH3 --> cy3H-CH2(.) -//C.D.W. 04/20/03 : added R3H_SS_12cy3, etc. for cases where there is "inside" ring, -//for e.g. cyc(CH2CH(.)CH)-CH3 --> cyc(CH3CH2CH)-CH2(.) -//1) Definition of "inside" ring : when at least two of the *1,*2,*4,..atoms -//are members of that ring. -//2) Added also R3H_SS_2Cd (for .C-Cd-CH case) -//3) Use "Others" : Others-[father] to catch the noncyclic cases (discussion with J.S. 04/17/03) -//4) The policy now is to add only nodes for which rate rules are available. -//Thus here I expanded R2H_S, R3H_SS, etc. but not for e.g. R2H_D, R3H_SD, etc. - -RnH -Union {R2H, R3H, R4H, R5H, R6H, R7H} - -R2H -1 *1 {R!H} 1 {2,{S,D,B}} -2 *2 {R!H} 0 {1,{S,D,B}}, {3,S} -3 *3 H 0 {2,S} - -R2H_S -1 *1 {R!H} 1 {2,S} -2 *2 {R!H} 0 {1,S}, {3,S} -3 *3 H 0 {2,S} - -R2H_S_cy3 -1 *1 {R!H} 1 {2,S}, {4,{S,D,B}} -2 *2 {R!H} 0 {1,S}, {3,S}, {4,{S,D,B}} -3 *3 H 0 {2,S} -4 {R!H} 0 {1,{S,D,B}}, {2,{S,D,B}} - -R2H_S_cy4 -1 *1 {R!H} 1 {2,S}, {5,{S,D,B}} -2 *2 {R!H} 0 {1,S}, {3,S}, {4,{S,D,B}} -3 *3 H 0 {2,S} -4 {R!H} 0 {2,{S,D,B}}, {5,{S,D,B}} -5 {R!H} 0 {1,{S,D,B}}, {4,{S,D,B}} - -R2H_S_cy5 -1 *1 {R!H} 1 {2,S}, {6,{S,D,B}} -2 *2 {R!H} 0 {1,S}, {3,S}, {4,{S,D,B}} -3 *3 H 0 {2,S} -4 {R!H} 0 {2,{S,D,B}}, {5,{S,D,B}} -5 {R!H} 0 {4,{S,D,B}}, {6,{S,D,B}} -6 {R!H} 0 {5,{S,D,B}}, {1,{S,D,B}} - -R2H_D -1 *1 Cd 1 {2,D} -2 *2 Cd 0 {1,D}, {3,S} -3 *3 H 0 {2,S} - -R2H_B -1 *1 Cb 1 {2,B} -2 *2 Cb 0 {1,B}, {3,S} -3 *3 H 0 {2,S} - -R3H -Union {R3H_SR, R3H_MS, R3H_BB} - -R3H_SR -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,{S,D,T,B}} -3 *2 {R!H} 0 {2,{S,D,T,B}}, {4,S} -4 *3 H 0 {3,S} - -R3H_SS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *3 H 0 {3,S} - -R3H_SS_C -1 *1 R 1 {2,S} -2 *4 Cs 0 {1,S}, {3,S} -3 *2 R 0 {2,S}, {4,S} -4 *3 H 0 {3,S} - -R3H_SS_O -1 *1 R 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 *2 R 0 {2,S}, {4,S} -4 *3 H 0 {3,S} - -R3H_SS_S -1 *1 R 1 {2,S} -2 *4 Ss 0 {1,S}, {3,S} -3 *2 R 0 {2,S}, {4,S} -4 *3 H 0 {3,S} - -R3H_SS_12cy3 -1 *1 {R!H} 1 {2,S}, {5,{S,D,B}} -2 *4 {R!H} 0 {1,S}, {3,S}, {5,{S,D,B}} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *3 H 0 {3,S} -5 {R!H} 0 {1,{S,D,B}}, {2,{S,D,B}} - -R3H_SS_23cy3 -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S}, {5,{S,D,B}} -3 *2 {R!H} 0 {2,S}, {4,S}, {5,{S,D,B}} -4 *3 H 0 {3,S} -5 {R!H} 0 {2,{S,D,B}}, {3,{S,D,B}} - -R3H_SS_12cy4 -1 *1 {R!H} 1 {2,S}, {6,{S,D,B}} -2 *4 {R!H} 0 {1,S}, {3,S}, {5,{S,D,B}} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *3 H 0 {3,S} -5 {R!H} 0 {2,{S,D,B}}, {6,{S,D,B}} -6 {R!H} 0 {1,{S,D,B}}, {5,{S,D,B}} - -R3H_SS_23cy4 -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S}, {6,{S,D,B}} -3 *2 {R!H} 0 {2,S}, {4,S}, {5,{S,D,B}} -4 *3 H 0 {3,S} -5 {R!H} 0 {3,{S,D,B}}, {6,{S,D,B}} -6 {R!H} 0 {2,{S,D,B}}, {5,{S,D,B}} - -R3H_SS_13cy4 -1 *1 {R!H} 1 {2,S}, {5,{S,D,B}} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 {R!H} 0 {2,S}, {4,S}, {5,{S,D,B}} -4 *3 H 0 {3,S} -5 {R!H} 0 {1,{S,D,B}}, {3,{S,D,B}} - -R3H_SS_12cy5 -1 *1 {R!H} 1 {2,S}, {7,{S,D,B}} -2 *4 {R!H} 0 {1,S}, {3,S}, {5,{S,D,B}} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *3 H 0 {3,S} -5 {R!H} 0 {2,{S,D,B}}, {6,{S,D,B}} -6 {R!H} 0 {5,{S,D,B}}, {7,{S,D,B}} -7 {R!H} 0 {1,{S,D,B}}, {6,{S,D,B}} - -R3H_SS_23cy5 -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S}, {7,{S,D,B}} -3 *2 {R!H} 0 {2,S}, {4,S}, {5,{S,D,B}} -4 *3 H 0 {3,S} -5 {R!H} 0 {3,{S,D,B}}, {6,{S,D,B}} -6 {R!H} 0 {5,{S,D,B}}, {7,{S,D,B}} -7 {R!H} 0 {2,{S,D,B}}, {6,{S,D,B}} - -R3H_SS_13cy5 -1 *1 {R!H} 1 {2,S}, {6,{S,D,B}} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 {R!H} 0 {2,S}, {4,S}, {5,{S,D,B}} -4 *3 H 0 {3,S} -5 {R!H} 0 {3,{S,D,B}}, {6,{S,D,B}} -6 {R!H} 0 {1,{S,D,B}}, {5,{S,D,B}} - -R3H_SS_2Cd -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,S} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *3 H 0 {3,S} - -R3H_SD -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 *2 Cd 0 {2,D}, {4,S} -4 *3 H 0 {3,S} - -R3H_ST -1 *1 {R!H} 1 {2,S} -2 *4 Ct 0 {1,S}, {3,T} -3 *2 Ct 0 {2,T}, {4,S} -4 *3 H 0 {3,S} - -R3H_SB -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *2 Cb 0 {2,B}, {4,S} -4 *3 H 0 {3,S} - -R3H_MS -1 *1 {R!H} 1 {2,{D,T,B}} -2 *4 {R!H} 0 {1,{D,T,B}}, {3,S} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *3 H 0 {3,S} - -R3H_DS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *3 H 0 {3,S} - -R3H_TS -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *3 H 0 {3,S} - -R3H_BS -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *3 H 0 {3,S} - -R3H_BB -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *2 Cb 0 {2,B}, {4,S} -4 *3 H 0 {3,S} - -R4H -Union {R4H_RSR, R4H_SMS, R4H_SBB, R4H_BBS, R4H_BBB} - -R4H_RSR -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,{S,D,T,B}} -4 *2 {R!H} 0 {3,{S,D,T,B}}, {5,S} -5 *3 H 0 {4,S} - -R4H_RSS -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_SSS_OOCsCs -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 *5 Cs 0 {2,S}, {4,S} -4 *2 Cs 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_SSS_OO(Cs/Cs)Cs -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 *5 Cs 0 {2,S}, {4,S}, {6,S} -4 *2 Cs 0 {3,S}, {5,S} -5 *3 H 0 {4,S} -6 Cs 0 {3,S} - -R4H_SSS_OO(Cs/Cs/Cs)Cs -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 *5 Cs 0 {2,S}, {4,S}, {6,S}, {7,S} -4 *2 Cs 0 {3,S}, {5,S} -5 *3 H 0 {4,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -R4H_SSS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_DSS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_TSS -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_BSS -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_RSD -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *2 Cd 0 {3,D}, {5,S} -5 *3 H 0 {4,S} - -R4H_SSD -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *2 Cd 0 {3,D}, {5,S} -5 *3 H 0 {4,S} - -R4H_DSD -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *2 Cd 0 {3,D}, {5,S} -5 *3 H 0 {4,S} - -R4H_TSD -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *2 Cd 0 {3,D}, {5,S} -5 *3 H 0 {4,S} - -R4H_BSD -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *5 Cd 0 {2,S}, {4,D} -4 *2 Cd 0 {3,D}, {5,S} -5 *3 H 0 {4,S} - -R4H_RST -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 *5 Ct 0 {2,S}, {4,T} -4 *2 Ct 0 {3,T}, {5,S} -5 *3 H 0 {4,S} - -R4H_SST -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 Ct 0 {2,S}, {4,T} -4 *2 Ct 0 {3,T}, {5,S} -5 *3 H 0 {4,S} - -R4H_DST -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Ct 0 {2,S}, {4,T} -4 *2 Ct 0 {3,T}, {5,S} -5 *3 H 0 {4,S} - -R4H_TST -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *5 Ct 0 {2,S}, {4,T} -4 *2 Ct 0 {3,T}, {5,S} -5 *3 H 0 {4,S} - -R4H_BST -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *5 Ct 0 {2,S}, {4,T} -4 *2 Ct 0 {3,T}, {5,S} -5 *3 H 0 {4,S} - -R4H_RSB -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 *5 Cb 0 {2,S}, {4,B} -4 *2 Cb 0 {3,B}, {5,S} -5 *3 H 0 {4,S} - -R4H_SSB -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 Cb 0 {2,S}, {4,B} -4 *2 Cb 0 {3,B}, {5,S} -5 *3 H 0 {4,S} - -R4H_DSB -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 *5 Cb 0 {2,S}, {4,B} -4 *2 Cb 0 {3,B}, {5,S} -5 *3 H 0 {4,S} - -R4H_TSB -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 *5 Cb 0 {2,S}, {4,B} -4 *2 Cb 0 {3,B}, {5,S} -5 *3 H 0 {4,S} - -R4H_BSB -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 *5 Cb 0 {2,S}, {4,B} -4 *2 Cb 0 {3,B}, {5,S} -5 *3 H 0 {4,S} - -R4H_SMS -1 *1 {R!H} 1 {2,S} -2 *4 {Cd,Ct,Cb} 0 {1,S}, {3,{D,T,B}} -3 *5 {Cd,Ct,Cb} 0 {2,{D,T,B}}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_SDS -1 *1 {R!H} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 *5 Cd 0 {2,D}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_STS -1 *1 {R!H} 1 {2,S} -2 *4 Ct 0 {1,S}, {3,T} -3 *5 Ct 0 {2,T}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_SBS -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *5 Cb 0 {2,B}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_SBB -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 *5 Cbf 0 {2,B}, {4,B} -4 *2 Cb 0 {3,B}, {5,S} -5 *3 H 0 {4,S} - -R4H_BBS -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 *5 Cb 0 {2,B}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *3 H 0 {4,S} - -R4H_BBB -1 *1 Cb 1 {2,B}, {15,B} -2 *4 Cbf 0 {1,B}, {3,B}, {12,B} -3 *5 Cbf 0 {2,B}, {4,B}, {9,B} -4 *2 Cb 0 {3,B}, {5,S}, {6,B} -5 *3 H 0 {4,S} -6 {Cb,Cbf} 0 {4,B}, {7,B} -7 {Cb,Cbf} 0 {6,B}, {8,B} -8 {Cb,Cbf} 0 {7,B}, {9,B} -9 Cbf 0 {3,B}, {8,B}, {10,B} -10 {Cb,Cbf} 0 {9,B}, {11,B} -11 {Cb,Cbf} 0 {10,B}, {12,B} -12 Cbf 0 {2,B}, {11,B}, {13,B} -13 {Cb,Cbf} 0 {12,B}, {14,B} -14 {Cb,Cbf} 0 {13,B}, {15,B} -15 {Cb,Cbf} 0 {14,B}, {1,B} - -R5H -Union {R5H_RSSR, R5H_RSMS, R5H_SMSR, R5H_BBSR, R5H_RSBB, R5H_SBBS, R5H_SBBB, R5H_BBBS, R5H_BBBB} - -R5H_RSSR -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,{S,D,T,B}} -5 *2 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *3 H 0 {5,S} - -R5H_SSSR -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,{S,D,T,B}} -5 *2 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *3 H 0 {5,S} - -R5H_SSSS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_SSSS_OOCCC -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cs 0 {2,S}, {4,S} -4 *5 Cs 0 {3,S}, {5,S} -5 *2 Cs 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_SSSS_OO(Cs/Cs)Cs -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cs 0 {2,S}, {4,S}, {7,S} -4 *5 Cs 0 {3,S}, {5,S} -5 *2 Cs 0 {4,S}, {6,S} -6 *3 H 0 {5,S} -7 Cs 0 {3,S} - -R5H_SSSS_OO(Cs/Cs/Cs)Cs -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cs 0 {2,S}, {4,S}, {7,S}, {8,S} -4 *5 Cs 0 {3,S}, {5,S} -5 *2 Cs 0 {4,S}, {6,S} -6 *3 H 0 {5,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -R5H_SSSS_OOCs(Cs/Cs) -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cs 0 {2,S}, {4,S} -4 *5 Cs 0 {3,S}, {5,S}, {7,S} -5 *2 Cs 0 {4,S}, {6,S} -6 *3 H 0 {5,S} -7 Cs 0 {4,S} - -R5H_SSSS_OOCs(Cs/Cs/Cs) -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cs 0 {2,S}, {4,S} -4 *5 Cs 0 {3,S}, {5,S}, {7,S}, {8,S} -5 *2 Cs 0 {4,S}, {6,S} -6 *3 H 0 {5,S} -7 Cs 0 {4,S} -8 Cs 0 {4,S} - -R5H_SSSD -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 Cd 0 {3,S}, {5,D} -5 *2 Cd 0 {4,D}, {6,S} -6 *3 H 0 {5,S} - -R5H_SSST -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 Ct 0 {3,S}, {5,T} -5 *2 Ct 0 {4,T}, {6,S} -6 *3 H 0 {5,S} - -R5H_SSSB -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 Cb 0 {3,S}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_DSSR -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,{S,D,T,B}} -5 *2 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *3 H 0 {5,S} - -R5H_DSSS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_DSSD -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 Cd 0 {3,S}, {5,D} -5 *2 Cd 0 {4,D}, {6,S} -6 *3 H 0 {5,S} - -R5H_DSST -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 Ct 0 {3,S}, {5,T} -5 *2 Ct 0 {4,T}, {6,S} -6 *3 H 0 {5,S} - -R5H_DSSB -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 Cb 0 {3,S}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_TSSR -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,{S,D,T,B}} -5 *2 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *3 H 0 {5,S} - -R5H_TSSS -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_TSSD -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 Cd 0 {3,S}, {5,D} -5 *2 Cd 0 {4,D}, {6,S} -6 *3 H 0 {5,S} - -R5H_TSST -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 Ct 0 {3,S}, {5,T} -5 *2 Ct 0 {4,T}, {6,S} -6 *3 H 0 {5,S} - -R5H_TSSB -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 Cb 0 {3,S}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_BSSR -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,{S,D,T,B}} -5 *2 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *3 H 0 {5,S} - -R5H_BSSS -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_BSSD -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 Cd 0 {3,S}, {5,D} -5 *2 Cd 0 {4,D}, {6,S} -6 *3 H 0 {5,S} - -R5H_BSST -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 Ct 0 {3,S}, {5,T} -5 *2 Ct 0 {4,T}, {6,S} -6 *3 H 0 {5,S} - -R5H_BSSB -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *5 Cb 0 {3,S}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_RSMS -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 {R!H} 0 {2,S}, {4,{D,T,B}} -4 *5 {R!H} 0 {3,{D,T,B}}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_SSMS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 {R!H} 0 {2,S}, {4,{D,T,B}} -4 *5 {R!H} 0 {3,{D,T,B}}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_DSMS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {R!H} 0 {2,S}, {4,{D,T,B}} -4 *5 {R!H} 0 {3,{D,T,B}}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_TSMS -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 {R!H} 0 {2,S}, {4,{D,T,B}} -4 *5 {R!H} 0 {3,{D,T,B}}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_BSMS -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 {R!H} 0 {2,S}, {4,{D,T,B}} -4 *5 {R!H} 0 {3,{D,T,B}}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_SMSR -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,{D,T,B}} -3 {R!H} 0 {2,{D,T,B}}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,{S,D,T,B}} -5 *2 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *3 H 0 {5,S} - -R5H_SMSS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,{D,T,B}} -3 {R!H} 0 {2,{D,T,B}}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_SMSD -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,{D,T,B}} -3 {R!H} 0 {2,{D,T,B}}, {4,S} -4 *5 Cd 0 {3,S}, {5,D} -5 *2 Cd 0 {4,D}, {6,S} -6 *3 H 0 {5,S} - -R5H_SMST -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,{D,T,B}} -3 {R!H} 0 {2,{D,T,B}}, {4,S} -4 *5 Ct 0 {3,S}, {5,T} -5 *2 Ct 0 {4,T}, {6,S} -6 *3 H 0 {5,S} - -R5H_SMSB -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,{D,T,B}} -3 {R!H} 0 {2,{D,T,B}}, {4,S} -4 *5 Cb 0 {3,S}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_BBSR -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 Cb 0 {2,B}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,{S,D,T,B}} -5 *2 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *3 H 0 {5,S} - -R5H_BBSS -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 Cb 0 {2,B}, {4,S} -4 *5 {R!H} 0 {3,S}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_BBSD -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 Cb 0 {2,B}, {4,S} -4 *5 Cd 0 {3,S}, {5,D} -5 *2 Cd 0 {4,D}, {6,S} -6 *3 H 0 {5,S} - -R5H_BBST -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 Cb 0 {2,B}, {4,S} -4 *5 Ct 0 {3,S}, {5,T} -5 *2 Ct 0 {4,T}, {6,S} -6 *3 H 0 {5,S} - -R5H_BBSB -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 Cb 0 {2,B}, {4,S} -4 *5 Cb 0 {3,S}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_RSBB -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 Cb 0 {2,S}, {4,B} -4 *5 Cbf 0 {3,B}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_SSBB -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 Cb 0 {2,S}, {4,B} -4 *5 Cbf 0 {3,B}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_DSBB -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 Cb 0 {2,S}, {4,B} -4 *5 Cbf 0 {3,B}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_TSBB -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T}, {3,S} -3 Cb 0 {2,S}, {4,B} -4 *5 Cbf 0 {3,B}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_BSBB -1 *1 Cb 1 {2,B} -2 *4 Cb 0 {1,B}, {3,S} -3 Cb 0 {2,S}, {4,B} -4 *5 Cbf 0 {3,B}, {5,B} -5 *2 Cb 0 {4,B}, {6,S} -6 *3 H 0 {5,S} - -R5H_SBBS -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 Cbf 0 {2,B}, {4,B} -4 *5 Cb 0 {3,B}, {5,S} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} - -R5H_SBBB -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B}, {16,B} -3 Cbf 0 {2,B}, {4,B}, {13,B} -4 *5 Cbf 0 {3,B}, {5,B}, {10,B} -5 *2 Cb 0 {4,B}, {6,S}, {7,B} -6 *3 H 0 {5,S} -7 {Cb,Cbf} 0 {5,B}, {8,B} -8 {Cb,Cbf} 0 {7,B}, {9,B} -9 {Cb,Cbf} 0 {8,B}, {10,B} -10 Cbf 0 {4,B}, {9,B}, {11,B} -11 {Cb,Cbf} 0 {10,B}, {12,B} -12 {Cb,Cbf} 0 {11,B}, {13,B} -13 Cbf 0 {3,B}, {12,B}, {14,B} -14 {Cb,Cbf} 0 {13,B}, {15,B} -15 {Cb,Cbf} 0 {14,B}, {16,B} -16 {Cb,Cbf} 0 {15,B}, {2,B} - -R5H_BBBS -1 *1 Cb 1 {2,B}, {16,B} -2 *4 Cbf 0 {1,B}, {3,B}, {13,B} -3 Cbf 0 {2,B}, {4,B}, {10,B} -4 *5 Cb 0 {3,B}, {5,S}, {7,B} -5 *2 {R!H} 0 {4,S}, {6,S} -6 *3 H 0 {5,S} -7 {Cb,Cbf} 0 {4,B}, {8,B} -8 {Cb,Cbf} 0 {7,B}, {9,B} -9 {Cb,Cbf} 0 {8,B}, {10,B} -10 Cbf 0 {3,B}, {9,B}, {11,B} -11 {Cb,Cbf} 0 {10,B}, {12,B} -12 {Cb,Cbf} 0 {11,B}, {13,B} -13 Cbf 0 {2,B}, {12,B}, {14,B} -14 {Cb,Cbf} 0 {13,B}, {15,B} -15 {Cb,Cbf} 0 {14,B}, {16,B} -16 {Cb,Cbf} 0 {15,B}, {1,B} - -R5H_BBBB -1 *1 Cb 1 {2,B}, {19,B} -2 *4 Cbf 0 {1,B}, {3,B}, {16,B} -3 Cbf 0 {2,B}, {4,B}, {13,B} -4 *5 Cbf 0 {3,B}, {5,B}, {10,B} -5 *2 Cb 0 {4,B}, {6,S}, {7,B} -6 *3 H 0 {5,S} -7 {Cb,Cbf} 0 {5,B}, {8,B} -8 {Cb,Cbf} 0 {7,B}, {9,B} -9 {Cb,Cbf} 0 {8,B}, {10,B} -10 Cbf 0 {4,B}, {9,B}, {11,B} -11 {Cb,Cbf} 0 {10,B}, {12,B} -12 {Cb,Cbf} 0 {11,B}, {13,B} -13 Cbf 0 {3,B}, {12,B}, {14,B} -14 {Cb,Cbf} 0 {13,B}, {15,B} -15 {Cb,Cbf} 0 {14,B}, {16,B} -16 Cbf 0 {2,B}, {15,B}, {17,B} -17 {Cb,Cbf} 0 {16,B}, {18,B} -18 {Cb,Cbf} 0 {17,B}, {19,B} -19 {Cb,Cbf} 0 {18,B}, {1,B} - -R6H -Union {R6H_RSSSR, R6H_RSSMS, R6H_RSMSR, R6H_SMSSR, R6H_SMSMS, R6H_BBSRS, R6H_BBSSM, R6H_BBSBB, R6H_SBBSR, R6H_RSBBS, R6H_BBBSR, R6H_SBBBS, R6H_RSBBB, R6H_SBBBB, R6H_BBBBS, R6H_BBBBB} - -R6H_RSSSR -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_SSSSR -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_SSSSS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_SSSSS_OO -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 Cs 0 {2,S}, {4,S} -4 Cs 0 {3,S}, {5,S} -5 *5 Cs 0 {4,S}, {6,S} -6 *2 Cs 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_SSSSD -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,D} -6 *2 {R!H} 0 {5,D}, {7,S} -7 *3 H 0 {6,S} - -R6H_SSSST -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,T} -6 *2 {R!H} 0 {5,T}, {7,S} -7 *3 H 0 {6,S} - -R6H_SSSSB -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,B} -6 *2 {R!H} 0 {5,B}, {7,S} -7 *3 H 0 {6,S} - -R6H_DSSSR -1 *1 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_DSSSS -1 *1 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_DSSSD -1 *1 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,D} -6 *2 {R!H} 0 {5,D}, {7,S} -7 *3 H 0 {6,S} - -R6H_DSSST -1 *1 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,T} -6 *2 {R!H} 0 {5,T}, {7,S} -7 *3 H 0 {6,S} - -R6H_DSSSB -1 *1 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,B} -6 *2 {R!H} 0 {5,B}, {7,S} -7 *3 H 0 {6,S} - -R6H_TSSSR -1 *1 {R!H} 1 {2,T} -2 *4 {R!H} 0 {1,T}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_TSSSS -1 *1 {R!H} 1 {2,T} -2 *4 {R!H} 0 {1,T}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_TSSSD -1 *1 {R!H} 1 {2,T} -2 *4 {R!H} 0 {1,T}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,D} -6 *2 {R!H} 0 {5,D}, {7,S} -7 *3 H 0 {6,S} - -R6H_TSSST -1 *1 {R!H} 1 {2,T} -2 *4 {R!H} 0 {1,T}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,T} -6 *2 {R!H} 0 {5,T}, {7,S} -7 *3 H 0 {6,S} - -R6H_TSSSB -1 *1 {R!H} 1 {2,T} -2 *4 {R!H} 0 {1,T}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,B} -6 *2 {R!H} 0 {5,B}, {7,S} -7 *3 H 0 {6,S} - -R6H_BSSSR -1 *1 {R!H} 1 {2,B} -2 *4 {R!H} 0 {1,B}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_BSSSS -1 *1 {R!H} 1 {2,B} -2 *4 {R!H} 0 {1,B}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_BSSSD -1 *1 {R!H} 1 {2,B} -2 *4 {R!H} 0 {1,B}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,D} -6 *2 {R!H} 0 {5,D}, {7,S} -7 *3 H 0 {6,S} - -R6H_BSSST -1 *1 {R!H} 1 {2,B} -2 *4 {R!H} 0 {1,B}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,T} -6 *2 {R!H} 0 {5,T}, {7,S} -7 *3 H 0 {6,S} - -R6H_BSSSB -1 *1 {R!H} 1 {2,B} -2 *4 {R!H} 0 {1,B}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,B} -6 *2 {R!H} 0 {5,B}, {7,S} -7 *3 H 0 {6,S} - -R6H_RSSMS -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,{D,T,B}} -5 *5 {R!H} 0 {4,{D,T,B}}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_RSMSR -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 {R!H} 0 {2,S}, {4,{D,T,B}} -4 {R!H} 0 {3,{D,T,B}}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_SMSSR -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,{D,T,B}} -3 {R!H} 0 {2,{D,T,B}}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_SMSMS -1 *1 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,{D,T,B}} -3 {R!H} 0 {2,{D,T,B}}, {4,S} -4 {R!H} 0 {3,S}, {5,{D,T,B}} -5 *5 {R!H} 0 {4,{D,T,B}}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_BBSRS -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 Cb 0 {2,B}, {4,S} -4 {R!H} 0 {3,S}, {5,{S,D,T,B}} -5 *5 {R!H} 0 {4,{S,D,T,B}}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_BBSSM -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 Cb 0 {2,B}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,{D,T,B}} -6 *2 {R!H} 0 {5,{D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_BBSBB -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 Cb 0 {2,B}, {4,S} -4 Cb 0 {3,S}, {5,B} -5 *5 Cbf 0 {4,B}, {6,B} -6 *2 Cb 0 {5,B}, {7,S} -7 *3 H 0 {6,S} - -R6H_SBBSR -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 Cbf 0 {2,B}, {4,B} -4 Cb 0 {3,B}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_RSBBS -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 Cb 0 {2,S}, {4,B} -4 Cbf 0 {3,B}, {5,B} -5 *5 Cb 0 {4,B}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_BBBSR -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 Cbf 0 {2,B}, {4,B} -4 Cb 0 {3,B}, {5,S} -5 *5 {R!H} 0 {4,S}, {6,{S,D,T,B}} -6 *2 {R!H} 0 {5,{S,D,T,B}}, {7,S} -7 *3 H 0 {6,S} - -R6H_SBBBS -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 Cbf 0 {2,B}, {4,B} -4 Cbf 0 {3,B}, {5,B} -5 *5 Cb 0 {4,B}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_RSBBB -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,S} -3 Cb 0 {2,S}, {4,B} -4 Cbf 0 {3,B}, {5,B} -5 *5 Cbf 0 {4,B}, {6,B} -6 *2 Cb 0 {5,B}, {7,S} -7 *3 H 0 {6,S} - -R6H_SBBBB -1 *1 {R!H} 1 {2,S} -2 *4 Cb 0 {1,S}, {3,B} -3 Cbf 0 {2,B}, {4,B} -4 Cbf 0 {3,B}, {5,B} -5 *5 Cbf 0 {4,B}, {6,B} -6 *2 Cb 0 {5,B}, {7,S} -7 *3 H 0 {6,S} - -R6H_BBBBS -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 Cbf 0 {2,B}, {4,B} -4 Cbf 0 {3,B}, {5,B} -5 *5 Cb 0 {4,B}, {6,S} -6 *2 {R!H} 0 {5,S}, {7,S} -7 *3 H 0 {6,S} - -R6H_BBBBB -1 *1 Cb 1 {2,B} -2 *4 Cbf 0 {1,B}, {3,B} -3 Cbf 0 {2,B}, {4,B} -4 Cbf 0 {3,B}, {5,B} -5 *5 Cbf 0 {4,B}, {6,B} -6 *2 Cb 0 {5,B}, {7,S} -7 *3 H 0 {6,S} - -R7H -1 *1 {R!H} 1 {2,{S,D,T,B}} -2 *4 {R!H} 0 {1,{S,D,T,B}}, {3,{S,D,T,B}} -3 {R!H} 0 {2,{S,D,T,B}}, {4,{S,D,T,B}} -4 {R!H} 0 {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 {R!H} 0 {4,{S,D,T,B}}, {6,{S,D,T,B}} -6 *5 {R!H} 0 {5,{S,D,T,B}}, {7,{S,D,T,B}} -7 *2 {R!H} 0 {6,{S,D,T,B}}, {8,S} -8 *3 H 0 {7,S} - -R7H_OOCs4 -1 *1 Os 1 {2,S} -2 *4 Os 0 {1,S}, {3,S} -3 {R!H} 0 {2,S}, {4,{S,D,T,B}} -4 {R!H} 0 {3,{S,D,T,B}}, {5,{S,D,T,B}} -5 {R!H} 0 {4,{S,D,T,B}}, {6,{S,D,T,B}} -6 *5 {R!H} 0 {5,{S,D,T,B}}, {7,{S,D,T,B}} -7 *2 {R!H} 0 {6,{S,D,T,B}}, {8,S} -8 *3 H 0 {7,S} - -Y_rad_out -1 *1 {R!H} 1 - -C_rad_out_single -1 *1 Cs 1 {2,S}, {3,S} -2 R 0 {1,S} -3 R 0 {1,S} - -C_rad_out_2H -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -C_rad_out_1H -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 {R!H} 0 {1,S} - -C_rad_out_H/NonDeC -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 Cs 0 {1,S} - -C_rad_out_H/NonDeO -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 O 0 {1,S} - -C_rad_out_H/NonDeS -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 S 0 {1,S} - -C_rad_out_H/OneDe -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -C_rad_out_noH -1 *1 C 1 {2,S}, {3,S} -2 {R!H} 0 {1,S} -3 {R!H} 0 {1,S} - -C_rad_out_NonDe -1 *1 C 1 {2,S}, {3,S} -2 {Cs,O,S} 0 {1,S} -3 {Cs,O,S} 0 {1,S} - -C_rad_out_Cs2 -1 *1 C 1 {2,S}, {3,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} - -C_rad_out_Cs2_cy3 -1 *1 C 1 {2,S}, {3,S} -2 Cs 0 {1,S}, {3,S} -3 Cs 0 {1,S}, {2,S} - -C_rad_out_Cs2_cy4 -1 *1 C 1 {2,S}, {3,S} -2 Cs 0 {1,S}, {4,S} -3 Cs 0 {1,S}, {4,S} -4 {Cs,Cd} 0 {2,S}, {3,S} - -C_rad_out_Cs2_cy5 -1 *1 C 1 {2,S}, {3,S} -2 Cs 0 {1,S}, {4,S} -3 Cs 0 {1,S}, {5,S} -4 {Cs,Cd,Cb,Ct} 0 {2,S}, {5,{S,D,T,B}} -5 {Cs,Cd,Cb,Ct} 0 {3,S}, {4,{S,D,T,B}} - -C_rad_out_NDMustO -1 *1 C 1 {2,S}, {3,S} -2 O 0 {1,S} -3 {Cs,O,S} 0 {1,S} - -C_rad_out_OneDe -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cs,O,S} 0 {1,S} - -C_rad_out_OneDe/Cs -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} - -C_rad_out_OneDe/O -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 O 0 {1,S} - -C_rad_out_OneDe/S -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 S 0 {1,S} - -C_rad_out_TwoDe -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_rad_out_double -1 *1 Cd 1 {2,D} -2 Cd 0 {1,D} - -Cd_rad_out_single -1 *1 Cd 1 {2,S} -2 R 0 {1,S} - -Cd_rad_out_singleH -1 *1 Cd 1 {2,S} -2 H 0 {1,S} - -Cd_rad_out_singleNd -1 *1 Cd 1 {2,S} -2 {Cs,O,S} 0 {1,S} - -Cd_rad_out_singleDe -1 *1 Cd 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -Ct_rad_out -1 *1 Ct 1 {2,T} -2 *4 Ct 0 {1,T} - -O_rad_out -1 *1 O 1 - -Cb_rad_out -1 *1 Cb 1 {2,B} -2 *4 {Cb,Cbf} 0 {1,B} - -CO_rad_out -1 *1 Cd 1 {2,D} -2 Od 0 {1,D} - -C=S_rad_out -1 *1 Cd 1 {2,D} -2 Sd 0 {1,D} - -S_rad_out -1 *1 S 1 - -XH_out -1 *2 {R!H} 0 {2,S} -2 *3 H 0 {1,S} - -Cs_H_out -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -Cs_H_out_2H -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs_H_out_1H -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 {R!H} 0 {1,S} -4 H 0 {1,S} - -Cs_H_out_H/NonDeC -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cs_H_out_H/(NonDeC/Cs) -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S} {5,S} -4 H 0 {1,S} -5 Cs 0 {3,S} - -Cs_H_out_H/(NonDeC/Cs/Cs) -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S} {5,S} {6,S} -4 H 0 {1,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -Cs_H_out_H/(NonDeC/Cs/Cs/Cs) -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 H 0 {1,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} - -Cs_H_out_H/(CCCOOH) -1 *2 Cs 0 {2,S} {3,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S}, {4,S} -4 Cs 0 {3,S}, {5,S} -5 Os 0 {4,S}, {6,S} -6 Os 0 {5,S} - -Cs_H_out_H/((C/C)CCOOH) -1 *2 Cs 0 {2,S}, {3,S}, {7,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S}, {4,S} -4 Cs 0 {3,S}, {5,S} -5 Os 0 {4,S}, {6,S} -6 Os 0 {5,S} -7 Cs 0 {1,S} - -Cs_H_out_H/(CCOOH) -1 *2 Cs 0 {2,S} {3,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S}, {4,S} -4 Os 0 {3,S}, {5,S} -5 Os 0 {4,S} - -Cs_H_out_H/((C/C)COOH) -1 *2 Cs 0 {2,S}, {3,S}, {6,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S}, {4,S} -4 Os 0 {3,S}, {5,S} -5 Os 0 {4,S} -6 Cs 0 {1,S} - -Cs_H_out_H/(COOH) -1 *2 Cs 0 {2,S} {3,S} -2 *3 H 0 {1,S} -3 Os 0 {1,S}, {4,S} -4 Os 0 {3,S} - -Cs_H_out_H/((C/C)OOH) -1 *2 Cs 0 {2,S}, {3,S}, {5,S} -2 *3 H 0 {1,S} -3 Os 0 {1,S}, {4,S} -4 Os 0 {3,S} -5 Cs 0 {1,S} - -Cs_H_out_H/NonDeO -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 O 0 {1,S} -4 H 0 {1,S} - -Cs_H_out_H/OneDe -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -Cs_H_out_noH -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 {R!H} 0 {1,S} -4 {R!H} 0 {1,S} - -Cs_H_out_NonDe -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cs,O} 0 {1,S} - -Cs_H_out_Cs2 -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cs_H_out_Cs2_cy3 -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S}, {4,S} -4 Cs 0 {1,S}, {3,S} - -Cs_H_out_Cs2_cy4 -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S}, {5,S} -4 Cs 0 {1,S}, {5,S} -5 Cs 0 {3,S}, {4,S} - -Cs_H_out_Cs2_cy5 -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 Cs 0 {1,S}, {5,S} -4 Cs 0 {1,S}, {6,S} -5 Cs 0 {3,S}, {6,S} -6 Cs 0 {4,S}, {5,S} - -Cs_H_out_NDMustO -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 O 0 {1,S} -4 {Cs,O} 0 {1,S} - -Cs_H_out_OneDe -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 {Cs,O} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cs_H_out_TwoDe -1 *2 Cs 0 {2,S} {3,S} {4,S} -2 *3 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_H_out_double -1 *2 Cd 0 {2,S} {3,D} -2 *3 H 0 {1,S} -3 {Cd,O} 0 {1,D} - -Cd_H_out_doubleC -1 *2 Cd 0 {2,S} {3,D} -2 *3 H 0 {1,S} -3 Cd 0 {1,D} - -Cd_H_out_doubleO -1 *2 Cd 0 {2,S} {3,D} -2 *3 H 0 {1,S} -3 O 0 {1,D} - -Cd_H_out_single -1 *2 Cd 0 {2,S} {3,S} -2 *3 H 0 {1,S} -3 R 0 {1,S} - -Cd_H_out_singleH -1 *2 Cd 0 {2,S} {3,S} -2 *3 H 0 {1,S} -3 H 0 {1,S} - -Cd_H_out_singleNd -1 *2 Cd 0 {2,S} {3,S} -2 *3 H 0 {1,S} -3 {Cs,O} 0 {1,S} - -Cd_H_out_singleDe -1 *2 Cd 0 {2,S} {3,S} -2 *3 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -CO_H_out -1 *2 CO 0 {2,S} -2 *3 H 0 {1,S} - -O_H_out -1 *2 O 0 {2,S} -2 *3 H 0 {1,S} - -Ct_H_out -1 *2 Ct 0 {2,S} -2 *3 H 0 {1,S} - -Cb_H_out -1 *2 Cb 0 {2,S} -2 *3 H 0 {1,S} - -S_H_out -1 *2 S 0 {2,S} -2 *3 H 0 {1,S} \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/rateLibrary.txt deleted file mode 100644 index 281cd40d57..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/rateLibrary.txt +++ /dev/null @@ -1,291 +0,0 @@ -// rate library for f33: intra hydroxyl migration -// Originally from rate library.doc by CDW - -// Catherine Wijaya Thesis, pg 133, 159. - -// "jing," define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP -// #690 has a conflict of the name and the catogery in sumathy's original excel "file," should ask her about it. Cath and "Jing," 3/7/2028 -// make change of "#673," "#675," #676 according to sumathy's "correction," "JS," 3/8/2026 - -//f25_intra_H_migration -//No RnH Y_rad_out XH_out Temp A n Alpha E DA DN DAlpha DE Rank Comments -614 RnH Y_rad_out XH_out 300-1500 1.00E+10 0 0 25.00 0 0 0 0 0 default -615 R2H_S C_rad_out_single Cs_H_out_2H 300-1500 5.48E+08 1.62 0 38.76 0 0 0 0 5 Currans's estimation [5] in his reaction type 5. -616 R2H_S C_rad_out_single Cs_H_out_1H 300-1500 9.59E+08 1.39 0 39.70 0 0 0 0 5 Currans's estimation [5] in his reaction type 5. -617 R3H_SS C_rad_out_single Cs_H_out_2H 300-1500 1.39E+09 0.98 0 33.76 0 0 0 0 5 Currans's estimation [5] in his reaction type 5. -618 R3H_SS C_rad_out_single Cs_H_out_1H 300-1500 1.76E+09 0.76 0 34.70 0 0 0 0 5 Currans's estimation [5] in his reaction type 5. -619 R4H_SSS C_rad_out_single Cs_H_out_2H 300-1500 2.54E+09 0.35 0 19.76 0 0 0 0 5 Currans's estimation [5] in his reaction type 5. -620 R4H_SSS C_rad_out_single Cs_H_out_1H 300-1500 3.22E+09 0.13 0 20.70 0 0 0 0 5 Currans's estimation [5] in his reaction type 5. -621 R4H_SSS C_rad_out_single Cs_H_out_noH 300-1500 1.86E+10 0.58 0 26.19 0 0 0 0 5 Currans's estimation [5] in his reaction type 5. -622 R5H_SSSS C_rad_out_single Cs_H_out_2H 300-1500 4.28E+11 -1.05 0 11.76 0 0 0 0 5 Currans's estimation [5] in his reaction type 5. -623 R5H_SSSS C_rad_out_single Cs_H_out_1H 300-1500 1.36E+10 -0.66 0 14.28 0 0 0 0 5 Currans's estimation [5] in his reaction type 5. -624 R4H_SSS O_rad_out Cs_H_out_2H 300-1500 1.00E+11 0 0 29.40 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -625 R4H_SSS O_rad_out Cs_H_out_1H 300-1500 1.00E+11 0 0 26.85 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -626 R4H_SSS O_rad_out Cs_H_out_noH 300-1500 1.00E+11 0 0 24.10 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -627 R5H_SSSS O_rad_out Cs_H_out_2H 300-1500 1.25E+10 0 0 24.40 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -628 R5H_SSSS O_rad_out Cs_H_out_1H 300-1500 1.25E+10 0 0 20.85 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -629 R5H_SSSS O_rad_out Cs_H_out_noH 300-1500 1.25E+10 0 0 19.10 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -630 R6H_SSSSS O_rad_out Cs_H_out_2H 300-1500 1.56E+09 0 0 22.35 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -631 R6H_SSSSS O_rad_out Cs_H_out_1H 300-1500 1.56E+09 0 0 19.05 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -632 R6H_SSSSS O_rad_out Cs_H_out_noH 300-1500 1.56E+09 0 0 17.05 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -633 R7H O_rad_out Cs_H_out_2H 300-1500 1.95E+08 0 0 25.55 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -634 R7H O_rad_out Cs_H_out_1H 300-1500 1.95E+08 0 0 25.55 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -635 R7H O_rad_out Cs_H_out_noH 300-1500 1.95E+08 0 0 25.55 0 0 0 0 5 Curran's estimstion [8] in his reaction type 12 RO2 isomerization. -636 Others-R2H_S C_rad_out_2H Cs_H_out_2H 300-1500 4.45E+09 1.12 0 38.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -637 Others-R2H_S C_rad_out_H/NonDeC Cs_H_out_2H 300-1500 8.10E+08 1.32 0 40.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -638 Others-R2H_S C_rad_out_2H Cs_H_out_H/NonDeC 300-1500 9.69E+09 0.89 0 35.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -639 Others-R2H_S Others-C_rad_out_Cs2 Cs_H_out_2H 300-1500 8.12E+07 1.66 0 40.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -640 Others-R2H_S C_rad_out_2H Others-Cs_H_out_Cs2 300-1500 4.04E+10 0.64 0 33.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -641 Others-R2H_S Others-C_rad_out_Cs2 Others-Cs_H_out_Cs2 300-1500 1.28E+10 0.97 0 38.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -642 Others-R2H_S C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 3.38E+09 0.88 0 38.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -643 Others-R2H_S C_rad_out_H/NonDeC Others-Cs_H_out_Cs2 300-1500 7.25E+10 0.6 0 36.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -644 Others-R2H_S Others-C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 1.12E+09 1.19 0 39.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -645 Others-R2H_S Cd_rad_out_double Cs_H_out_2H 300-1500 2.44E+09 1.12 0 41.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -646 Others-R2H_S C_rad_out_2H Cd_H_out_doubleC 300-1500 2.68E+11 0.63 0 62.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -647 Others-R2H_S Cd_rad_out_double Cs_H_out_H/OneDe 300-1500 7.24E+09 0.82 0 37.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -648 Others-R2H_S C_rad_out_H/OneDe Cd_H_out_doubleC 300-1500 9.38E+10 0.71 0 62.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -649 Others-R2H_S Cd_rad_out_double Cs_H_out_OneDe 300-1500 1.67E+10 0.79 0 35.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -650 Others-R2H_S C_rad_out_OneDe/Cs Cd_H_out_doubleC 300-1500 1.03E+09 1.31 0 62.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -651 Others-R2H_S C_rad_out_H/OneDe Cs_H_out_2H 300-1500 2.06E+09 1.22 0 47.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -652 Others-R2H_S C_rad_out_2H Cs_H_out_H/OneDe 300-1500 1.41E+08 1.28 0 27.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -653 Others-R2H_S C_rad_out_H/OneDe Cs_H_out_H/NonDeC 300-1500 3.45E+10 0.75 0 45.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -654 Others-R2H_S C_rad_out_H/NonDeC Cs_H_out_H/OneDe 300-1500 8.41E+09 0.35 0 29.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -655 Others-R2H_S C_rad_out_H/OneDe Others-Cs_H_out_Cs2 300-1500 1.01E+12 0.33 0 42.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -656 Others-R2H_S Others-C_rad_out_Cs2 Cs_H_out_H/OneDe 300-1500 1.47E+08 1.27 0 30.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -657 Others-R2H_S C_rad_out_OneDe/Cs Cs_H_out_2H 300-1500 7.69E+08 1.31 0 48.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -658 Others-R2H_S C_rad_out_2H Cs_H_out_OneDe 300-1500 4.89E+09 0.81 0 25.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -659 Others-R2H_S C_rad_out_OneDe/Cs Cs_H_out_H/NonDeC 300-1500 2.13E+10 0.77 0 46.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -660 Others-R2H_S C_rad_out_H/NonDeC Cs_H_out_OneDe 300-1500 8.83E+10 0.3 0 29.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -661 Others-R2H_S C_rad_out_OneDe/Cs Others-Cs_H_out_Cs2 300-1500 3.62E+13 -0.14 0 44.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -662 Others-R2H_S Others-C_rad_out_Cs2 Cs_H_out_OneDe 300-1500 8.20E+09 0.65 0 31.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -663 R2H_D Cd_rad_out_singleH Cd_H_out_singleH 300-1500 7.28E+10 0.86 0 45.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -664 R2H_D Cd_rad_out_singleH Cd_H_out_singleNd 300-1500 3.24E+11 0.73 0 42.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -665 R2H_D Cd_rad_out_singleNd Cd_H_out_singleH 300-1500 1.62E+11 0.8 0 47.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -666 R2H_D Cd_rad_out_singleNd Cd_H_out_singleNd 300-1500 3.94E+11 0.69 0 44.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -667 Others-R2H_S C_rad_out_Cs2_cy3 Cs_H_out_2H 300-1500 4.58E+09 1.08 0 40.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -668 Others-R2H_S C_rad_out_2H Cs_H_out_Cs2_cy3 300-1500 1.14E+10 0.81 0 46.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -669 Others-R2H_S C_rad_out_Cs2_cy3 Cs_H_out_H/NonDeC 300-1500 6.33E+10 0.65 0 38.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -670 Others-R2H_S C_rad_out_H/NonDeC Cs_H_out_Cs2_cy3 300-1500 2.74E+09 0.98 0 46.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -671 Others-R2H_S C_rad_out_Cs2_cy3 Others-Cs_H_out_Cs2 300-1500 5.90E+11 0.36 0 35.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -672 Others-R2H_S Others-C_rad_out_Cs2 Cs_H_out_Cs2_cy3 300-1500 1.44E+08 1.39 0 47.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -673 Others-R2H_S C_rad_out_2H Cs_H_out_Cs2_cy4 300-1500 9.75E+09 0.98 0 36.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -674 Others-R2H_S C_rad_out_Cs2_cy4 Cs_H_out_2H 300-1500 7.44E+08 1.2 0 41.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -675 Others-R2H_S C_rad_out_H/NonDeC Cs_H_out_Cs2_cy4 300-1500 5.64E+09 1 0 38.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -676 Others-R2H_S C_rad_out_Cs2_cy4 Cs_H_out_H/NonDeC 300-1500 6.56E+09 0.81 0 39.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -677 Others-R2H_S Others-C_rad_out_Cs2 Cs_H_out_Cs2_cy4 300-1500 9.31E+08 1.21 0 38.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -678 Others-R2H_S C_rad_out_Cs2_cy4 Others-Cs_H_out_Cs2 300-1500 4.86E+10 0.58 0 38.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -679 Others-R2H_S C_rad_out_Cs2_cy5 Cs_H_out_2H 300-1500 1.07E+09 1.19 0 42.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -680 Others-R2H_S C_rad_out_2H Cs_H_out_Cs2_cy5 300-1500 3.35E+09 0.99 0 33.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -681 Others-R2H_S C_rad_out_H/NonDeC Cs_H_out_Cs2_cy5 300-1500 3.29E+09 0.89 0 36.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -682 Others-R2H_S C_rad_out_Cs2_cy5 Cs_H_out_H/NonDeC 300-1500 1.08E+10 0.81 0 41.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -683 Others-R2H_S Others-C_rad_out_Cs2 Cs_H_out_Cs2_cy5 300-1500 7.48E+07 1.45 0 37.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -684 Others-R2H_S C_rad_out_Cs2_cy5 Others-Cs_H_out_Cs2 300-1500 1.24E+11 1.47 0 39.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -685 R2H_S_cy3 C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 2.25E+11 0.6 0 44.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -686 R2H_S_cy3 C_rad_out_H/NonDeC Others-Cs_H_out_Cs2 300-1500 1.72E+12 0.37 0 41.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -687 R2H_S_cy3 Others-C_rad_out_Cs2 Others-Cs_H_out_Cs2 300-1500 5.69E+11 0.51 0 43.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -688 R2H_S_cy4 C_rad_out_H/NonDeC Others-Cs_H_out_Cs2 300-1500 1.56E+12 0.24 0 39.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -689 R2H_S_cy4 Others-C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 1.49E+10 0.79 0 42.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -//690. R2H_S_cy4 C_rad_out_ Cs_H_out_ 300-1500 2.38E+11 0.5 0 40.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -691 R2H_S_cy5 C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 1.71E+11 0.61 0 41.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -692 R2H_S_cy5 C_rad_out_H/NonDeC Others-Cs_H_out_Cs2 300-1500 3.72E+12 0.26 0 39.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -693 R2H_S_cy5 Others-C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 5.88E+11 0.51 0 41.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -694 Others-R3H_SS C_rad_out_2H Cs_H_out_2H 300-1500 5.76E+08 1.17 0 36.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -695 Others-R3H_SS C_rad_out_2H Cs_H_out_H/NonDeC 300-1500 5.90E+09 0.82 0 35.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -696 Others-R3H_SS C_rad_out_H/NonDeC Cs_H_out_2H 300-1500 1.19E+08 1.32 0 38.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -697 Others-R3H_SS C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 5.50E+08 1.01 0 36.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -698 Others-R3H_SS C_rad_out_2H Others-Cs_H_out_Cs2 300-1500 2.25E+10 0.66 0 32.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -699 Others-R3H_SS Others-C_rad_out_Cs2 Cs_H_out_2H 300-1500 3.89E+06 1.77 0 37.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -700 Others-R3H_SS C_rad_out_H/NonDeC Others-Cs_H_out_Cs2 300-1500 7.27E+09 0.66 0 34.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -701 Others-R3H_SS Others-C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 1.71E+07 1.41 0 36.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -702 Others-R3H_SS Others-C_rad_out_Cs2 Others-Cs_H_out_Cs2 300-1500 6.78E+08 1 0 35.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -703 R3H_DS Cd_rad_out_singleH Cs_H_out_2H 300-1500 5.10E+09 0.97 0 37.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -704 R3H_SD C_rad_out_2H Cd_H_out_singleH 300-1500 2.11E+11 0.58 0 38.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -705 R3H_DS Cd_rad_out_singleH Cs_H_out_H/NonDeC 300-1500 9.23E+09 0.74 0 34.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -706 R3H_SD C_rad_out_H/NonDeC Cd_H_out_singleH 300-1500 4.16E+10 0.77 0 64.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -707 R3H_DS Cd_rad_out_singleH Others-Cs_H_out_Cs2 300-1500 6.04E+10 0.59 0 32.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -708 R3H_SD Others-C_rad_out_Cs2 Cd_H_out_singleH 300-1500 8.53E+08 1.27 0 63.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -709 R3H_DS Cd_rad_out_singleNd Cs_H_out_2H 300-1500 2.58E+09 1.08 0 38.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -710 R3H_SD C_rad_out_2H Cd_H_out_singleNd 300-1500 1.91E+11 0.63 0 61.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -711 R3H_DS Cd_rad_out_singleNd Cs_H_out_H/NonDeC 300-1500 5.91E+09 0.86 0 35.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -712 R3H_SD C_rad_out_H/NonDeC Cd_H_out_singleNd 300-1500 3.96E+10 0.83 0 61.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -713 R3H_DS Cd_rad_out_singleNd Others-Cs_H_out_Cs2 300-1500 8.05E+09 0.86 0 33.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -714 R3H_SD Others-C_rad_out_Cs2 Cd_H_out_singleNd 300-1500 6.05E+10 0.79 0 61.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -715 Others-R3H_SS Cd_rad_out_double Cs_H_out_2H 300-1500 7.68E+08 1.24 0 36.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -716 Others-R3H_SS C_rad_out_2H Cd_H_out_doubleC 300-1500 3.24E+08 1.14 0 41.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -717 Others-R3H_SS Cd_rad_out_double Cs_H_out_H/NonDeC 300-1500 1.66E+09 0.99 0 33.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -718 Others-R3H_SS C_rad_out_H/NonDeC Cd_H_out_doubleC 300-1500 3.37E+07 1.41 0 42.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -719 Others-R3H_SS Cd_rad_out_double Others-Cs_H_out_Cs2 300-1500 1.10E+10 0.78 0 31.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -720 Others-R3H_SS Others-C_rad_out_Cs2 Cd_H_out_doubleC 300-1500 3.50E+06 1.68 0 42.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -721 R3H_SS_2Cd C_rad_out_2H Cs_H_out_2H 300-1500 3.93E+09 1.26 0 52.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -722 R3H_SS_2Cd C_rad_out_2H Cs_H_out_H/NonDeC 300-1500 4.20E+10 0.82 0 49.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -723 R3H_SS_2Cd C_rad_out_H/NonDeC Cs_H_out_2H 300-1500 5.64E+08 1.47 0 53.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -724 R3H_SS_2Cd C_rad_out_2H Others-Cs_H_out_Cs2 300-1500 1.43E+11 0.65 0 47.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -725 R3H_SS_2Cd Others-C_rad_out_Cs2 Cs_H_out_2H 300-1500 7.12E+07 1.72 0 51.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -726 R3H_SS_2Cd C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 1.21E+10 0.91 0 49.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -727 R3H_SS_2Cd C_rad_out_H/NonDeC Others-Cs_H_out_Cs2 300-1500 3.46E+10 0.76 0 47.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -728 R3H_SS_2Cd Others-C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 6.14E+10 0.8 0 48.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -729 R3H_SS_2Cd Others-C_rad_out_Cs2 Others-Cs_H_out_Cs2 300-1500 1.76E+09 1.18 0 43.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -730 Others-R3H_SS C_rad_out_H/OneDe Cs_H_out_2H 300-1500 3.80E+09 0.99 0 48.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -731 Others-R3H_SS C_rad_out_2H Cs_H_out_H/OneDe 300-1500 1.66E+08 1.1 0 29.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -732 Others-R3H_SS C_rad_out_H/OneDe Cs_H_out_H/NonDeC 300-1500 6.77E+09 0.74 0 46.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -733 Others-R3H_SS C_rad_out_H/NonDeC Cs_H_out_H/OneDe 300-1500 3.41E+09 0.73 0 30.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -734 Others-R3H_SS C_rad_out_H/OneDe Others-Cs_H_out_Cs2 300-1500 9.06E+10 0.44 0 43.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -735 Others-R3H_SS Others-C_rad_out_Cs2 Cs_H_out_H/OneDe 300-1500 6.40E+06 1.56 0 30.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -736 R3H_SS_12cy3 C_rad_out_H/NonDeC Cs_H_out_2H 300-1500 2.62E+10 0.69 0 35.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -737 R3H_SS_23cy3 C_rad_out_2H Cs_H_out_H/NonDeC 300-1500 1.04E+10 0.71 0 34.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -738 R3H_SS_12cy3 C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 3.16E+11 0.26 0 33.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -739 R3H_SS_23cy3 C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 5.63E+08 1.01 0 45.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -740 R3H_SS_12cy3 C_rad_out_H/NonDeC Others-Cs_H_out_Cs2 300-1500 2.26E+13 0.26 0 32.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -741 R3H_SS_23cy3 Others-C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 2.68E+07 1.42 0 46.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -742 Others-R3H_SS C_rad_out_Cs2_cy3 Cs_H_out_2H 300-1500 1.78E+09 1.04 0 36.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -743 Others-R3H_SS C_rad_out_2H Cs_H_out_Cs2_cy3 300-1500 9.72E+09 0.78 0 39.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -744 Others-R3H_SS C_rad_out_Cs2_cy3 Cs_H_out_H/NonDeC 300-1500 3.39E+09 0.77 0 33.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -745 Others-R3H_SS C_rad_out_H/NonDeC Cs_H_out_Cs2_cy3 300-1500 1.73E+08 1.14 0 40.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -746 Others-R3H_SS C_rad_out_Cs2_cy3 Others-Cs_H_out_Cs2 300-1500 9.08E+10 0.36 0 31.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -747 Others-R3H_SS Others-C_rad_out_Cs2 Cs_H_out_Cs2_cy3 300-1500 3.86E+06 1.65 0 0.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -748 R3H_SS_12cy4 C_rad_out_H/NonDeC Cs_H_out_2H 300-1500 2.90E+10 0.57 0 39.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -749 R3H_SS_23cy4 C_rad_out_2H Cs_H_out_H/NonDeC 300-1500 3.43E+09 0.93 0 38.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -750 R3H_SS_12cy4 C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 1.90E+11 0.27 0 37.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -751 R3H_SS_23cy4 C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 2.59E+08 1.2 0 39.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -752 R3H_SS_12cy4 C_rad_out_H/NonDeC Others-Cs_H_out_Cs2 300-1500 1.63E+12 -0.04 0 37.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -753 R3H_SS_23cy4 Others-C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 2.19E+07 1.55 0 40.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -754 Others-R3H_SS C_rad_out_Cs2_cy4 Cs_H_out_2H 300-1500 1.08E+08 1.25 0 39.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -755 Others-R3H_SS C_rad_out_2H Cs_H_out_Cs2_cy4 300-1500 5.09E+09 0.84 0 34.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -756 Others-R3H_SS C_rad_out_Cs2_cy4 Cs_H_out_H/NonDeC 300-1500 3.05E+08 0.99 0 37.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -757 Others-R3H_SS C_rad_out_H/NonDeC Cs_H_out_Cs2_cy4 300-1500 5.69E+08 0.97 0 35.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -758 Others-R3H_SS C_rad_out_Cs2_cy4 Others-Cs_H_out_Cs2 300-1500 8.20E+09 0.54 0 35.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -759 Others-R3H_SS Others-C_rad_out_Cs2 Cs_H_out_Cs2_cy4 300-1500 3.49E+07 1.38 0 35.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -760 R3H_SS_12cy5 C_rad_out_H/NonDeC Cs_H_out_2H 300-1500 6.85E+10 0.6 0 40.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -761 R3H_SS_23cy5 C_rad_out_2H Cs_H_out_H/NonDeC 300-1500 1.25E+09 0.99 0 34.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -762 R3H_SS_12cy5 C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 3.67E+11 0.29 0 38.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -763 R3H_SS_23cy5 C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 2.42E+08 1.14 0 36.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -764 R3H_SS_12cy5 C_rad_out_H/NonDeC Others-Cs_H_out_Cs2 300-1500 9.42E+11 0.12 0 37.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -765 R3H_SS_23cy5 Others-C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 1.58E+06 1.78 0 39.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -766 Others-R3H_SS C_rad_out_Cs2_cy5 Cs_H_out_2H 300-1500 3.14E+08 1.26 0 41.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -767 Others-R3H_SS C_rad_out_2H Cs_H_out_Cs2_cy5 300-1500 6.90E+09 0.82 0 32.90 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -768 Others-R3H_SS C_rad_out_Cs2_cy5 Cs_H_out_H/NonDeC 300-1500 4.25E+08 1.01 0 39.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -769 Others-R3H_SS C_rad_out_H/NonDeC Cs_H_out_Cs2_cy5 300-1500 7.50E+08 0.9 0 34.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -770 Others-R3H_SS C_rad_out_Cs2_cy5 Others-Cs_H_out_Cs2 300-1500 1.97E+10 0.46 0 37.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -771 Others-R3H_SS Others-C_rad_out_Cs2 Cs_H_out_Cs2_cy5 300-1500 2.21E+08 1.04 0 34.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -772 R3H_SS_12cy3 Others-C_rad_out_Cs2 Cs_H_out_2H 300-1500 8.64E+09 0.84 0 6.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -773 R3H_SS_23cy3 C_rad_out_2H Others-Cs_H_out_Cs2 300-1500 5.02E+10 0.56 0 42.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -774 R3H_SS_12cy3 Others-C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 1.22E+11 0.4 0 34.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -775 R3H_SS_23cy3 C_rad_out_H/NonDeC Others-Cs_H_out_Cs2 300-1500 4.34E+09 0.81 0 43.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -776 R3H_SS_12cy3 Others-C_rad_out_Cs2 Others-Cs_H_out_Cs2 300-1500 2.72E+12 -0.04 0 33.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -777 R3H_SS_23cy3 Others-C_rad_out_Cs2 Others-Cs_H_out_Cs2 300-1500 1.61E+08 1.26 0 42.00 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -778 R3H_SS_13cy4 C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 1.78E+11 0.29 0 54.30 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -779 R3H_SS_13cy4 Others-C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 2.48E+10 0.6 0 54.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -780 R3H_SS_13cy4 C_rad_out_H/NonDeC Others-Cs_H_out_Cs2 300-1500 2.66E+12 0 0 51.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -781 R3H_SS_13cy4 Others-C_rad_out_Cs2 Others-Cs_H_out_Cs2 300-1500 3.55E+11 0.37 0 51.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -782 R3H_SS_13cy5 C_rad_out_H/NonDeC Cs_H_out_H/NonDeC 300-1500 1.36E+11 0.46 0 47.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -783 R3H_SS_13cy5 Others-C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 5.72E+09 0.86 0 47.20 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -784 R3H_SS_13cy5 C_rad_out_H/NonDeC Others-Cs_H_out_Cs2 300-1500 1.10E+12 0.23 0 44.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -785 R3H_SS_13cy5 Others-C_rad_out_Cs2 Others-Cs_H_out_Cs2 300-1500 6.07E+10 0.62 0 43.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -786 R3H_SS_12cy5 Others-C_rad_out_Cs2 Cs_H_out_2H 300-1500 1.84E+09 1.05 0 41.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -787 R3H_SS_23cy5 C_rad_out_2H Others-Cs_H_out_Cs2 300-1500 4.51E+09 0.86 0 33.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -788 R3H_SS_12cy5 Others-C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 5.04E+09 0.74 0 38.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -789 R3H_SS_23cy5 C_rad_out_H/NonDeC Others-Cs_H_out_Cs2 300-1500 1.95E+09 0.88 0 35.10 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -790 R3H_SS_12cy5 Others-C_rad_out_Cs2 Others-Cs_H_out_Cs2 300-1500 1.44E+10 0.74 0 37.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -791 R3H_SS_23cy5 Others-C_rad_out_Cs2 Others-Cs_H_out_Cs2 300-1500 2.85E+07 1.46 0 36.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -792 R3H_SS_12cy4 Others-C_rad_out_Cs2 Cs_H_out_2H 300-1500 8.28E+08 1.07 0 40.70 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -793 R3H_SS_23cy4 C_rad_out_2H Others-Cs_H_out_Cs2 300-1500 1.93E+10 0.75 0 36.50 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -794 R3H_SS_12cy4 Others-C_rad_out_Cs2 Cs_H_out_H/NonDeC 300-1500 4.41E+09 0.77 0 38.80 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -795 R3H_SS_23cy4 C_rad_out_H/NonDeC Others-Cs_H_out_Cs2 300-1500 1.96E+09 0.96 0 38.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -796 R3H_SS_12cy4 Others-C_rad_out_Cs2 Others-Cs_H_out_Cs2 300-1500 2.37E+10 0.62 0 37.60 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -797 R3H_SS_23cy4 Others-C_rad_out_Cs2 Others-Cs_H_out_Cs2 300-1500 4.96E+07 1.46 0 39.40 0 0 0 0 2 Sumathy B3LYP/CCPVDZ calculations -798 R3H_SS_O O_rad_out Cs_H_out_2H 300-1500 4.71E+08 1.45 0 42.27 0 0 0 0 2 Sumathy CBS-Q calculations -799 R3H_SS_O O_rad_out Cs_H_out_H/NonDeC 300-1500 6.66E+08 1.28 0 39.74 0 0 0 0 2 Sumathy CBS-Q calculations -800 R3H_SS_O O_rad_out Cs_H_out_H/(NonDeC/Cs) 300-1500 2.43E+09 1.17 0 39.66 0 0 0 0 2 Sumathy CBS-Q calculations -801 R3H_SS_O O_rad_out Cs_H_out_H/(NonDeC/Cs/Cs) 300-1500 1.07E+10 0.98 0 39.58 0 0 0 0 2 Sumathy CBS-Q calculations -802 R3H_SS_O O_rad_out Cs_H_out_H/(NonDeC/Cs/Cs/Cs) 300-1500 6.62E+09 1.04 0 39.34 0 0 0 0 2 Sumathy CBS-Q calculations -803 R3H_SS_O O_rad_out Others-Cs_H_out_Cs2 300-1500 4.97E+09 1.01 0 38.47 0 0 0 0 2 Sumathy CBS-Q calculations -804 R4H_SSS_OOCsCs O_rad_out Cs_H_out_2H 300-1500 1.99E+11 0.15 0 34.2107177 0 0 0 0 2 Sumathy CBS-Q calculations -805 R4H_SSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_2H 300-1500 6.38E+08 1.06 0 33.51 0 0 0 0 2 Sumathy CBS-Q calculations -806 R4H_SSS_OO(Cs/Cs/Cs)Cs O_rad_out Cs_H_out_2H 300-1500 5.06E+08 1.20 0 33.53 0 0 0 0 2 Sumathy CBS-Q calculations -807 R4H_SSS_OOCsCs O_rad_out Cs_H_out_H/NonDeC 300-1500 2.00E+08 1.10 0 30.09 0 0 0 0 2 -808 R4H_SSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_H/NonDeC 300-1500 9.81E+08 0.88 0 29.48 0 0 0 0 2 -809 R4H_SSS_OO(Cs/Cs/Cs)Cs O_rad_out Cs_H_out_H/NonDeC 300-1500 3.53E+09 0.69 0 30.11 0 0 0 0 2 -810 R4H_SSS_OOCsCs O_rad_out Others-Cs_H_out_Cs2 300-1500 2.64E+09 0.78 0 27.11 0 0 0 0 2 -811 R4H_SSS_OO(Cs/Cs)Cs O_rad_out Others-Cs_H_out_Cs2 300-1500 9.25E+09 0.57 0 27.31 0 0 0 0 2 -812 R4H_SSS_OO(Cs/Cs/Cs)Cs O_rad_out Others-Cs_H_out_Cs2 300-1500 4.87E+10 0.35 0 26.39 0 0 0 0 2 -813 R5H_SSSS_OOCCC O_rad_out Cs_H_out_2H 300-1500 1690000 1.55 0 21.02 0 0 0 0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). -814 R5H_SSSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_2H 300-1500 6780000 1.35 0 20.84 0 0 0 0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). -815 R5H_SSSS_OO(Cs/Cs/Cs)Cs O_rad_out Cs_H_out_2H 300-1500 4.35E+07 1.12 0 21.88 0 0 0 0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). -816 R5H_SSSS_OOCs(Cs/Cs) O_rad_out Cs_H_out_2H 300-1500 1.41E+07 1.32 0 21.50 0 0 0 0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). -817 R5H_SSSS_OOCs(Cs/Cs/Cs) O_rad_out Cs_H_out_2H 300-1500 1.09E+08 1.23 0 21.62 0 0 0 0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). -818 R5H_SSSS_OOCCC O_rad_out Cs_H_out_H/NonDeC 300-1500 8.94E+06 1.26 0 18.17 0 0 0 0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). -819 R5H_SSSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_H/NonDeC 300-1500 3.38E+10 0.21 0 18.50 0 0 0 0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). -820 R5H_SSSS_OOCCC O_rad_out Others-Cs_H_out_Cs2 300-1500 31.74E+07 1.15 0 15.37 0 0 0 0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). -821 R6H_SSSSS_OO O_rad_out Cs_H_out_2H 300-1500 3.69E+05 1.52 0 20.05 0 0 0 0 2 CBS-QB3 and BH&HLYP calculations (Catherina Wijaya & Sumathy Raman). -822 R6H_SSSSS_OO O_rad_out Cs_H_out_H/NonDeC 300-1500 1.62E+06 1.22 0 16.60 0 0 0 0 2 Curran's [8] estimation in reaction type 19, QOOH = cyclic ether + OH -823 R6H_SSSSS_OO O_rad_out Others-Cs_H_out_Cs2 300-1500 1.48E+06 1.22 0 13.84 0 0 0 0 2 Curran's [8] estimation in reaction type 19, QOOH = cyclic ether + OH -824 R7H_OOCs4 O_rad_out Cs_H_out_2H 300-1500 9.06E+04 1.51 0 19.95 0 0 0 0 2 Curran's [8] estimation in reaction type 19, QOOH = cyclic ether + OH -825 R7H_OOCs4 O_rad_out Cs_H_out_H/NonDeC 300-1500 1.37E+06 0.99 0 18.17 0 0 0 0 2 Curran's [8] estimation in reaction type 19, QOOH = cyclic ether + OH -826 R7H_OOCs4 O_rad_out Others-Cs_H_out_Cs2 300-1500 5.62E+05 1.09 0 14.28 0 0 0 0 2 -827 Others-R2H_S C_rad_out_2H Cs_H_out_H/(CCCOOH) 300-1500 4.07E+09 0.99 0 37.33 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). -828 Others-R2H_S C_rad_out_H/NonDeC Cs_H_out_H/(CCCOOH) 300-1500 6.70E+08 1.15 0 39.04 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). -829 Others-R2H_S Others-C_rad_out_Cs2 Cs_H_out_H/(CCCOOH) 300-1500 3.56E+07 1.53 0 40.58 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). -830 Others-R2H_S C_rad_out_2H Cs_H_out_H/((C/C)CCOOH) 300-1500 2.83E+11 0.45 0 35.92 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). -831 Others-R2H_S C_rad_out_H/NonDeC Cs_H_out_H/((C/C)CCOOH) 300-1500 6.89E+10 0.43 0 38.88 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). -832 Others-R2H_S C_rad_out_2H Cs_H_out_H/(CCOOH) 300-1500 5.87E+08 1.28 0 36.70 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). -833 Others-R2H_S C_rad_out_H/NonDeC Cs_H_out_H/(CCOOH) 300-1500 1.75E+08 1.29 0 37.93 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). -834 Others-R2H_S Others-C_rad_out_Cs2 Cs_H_out_H/(CCOOH) 300-1500 2.14E+08 1.42 0 38.71 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). -835 Others-R2H_S C_rad_out_2H Cs_H_out_H/((C/C)COOH) 300-1500 4.28E+09 1.12 0 34.69 0 0 0 0 2 Sumathy's CBS-QB3 calculations. -836 Others-R2H_S C_rad_out_H/NonDeC Cs_H_out_H/((C/C)COOH) 300-1500 3.53E+10 0.68 0 37.43 0 0 0 0 2 Sumathy's CBS-QB3 calculations. -837 Others-R2H_S Others-C_rad_out_Cs2 Cs_H_out_H/((C/C)COOH) 300-1500 1.24E+09 1.11 0 39.38 0 0 0 0 2 Sumathy's CBS-QB3 calculations. -838 Others-R3H_SS C_rad_out_2H Cs_H_out_H/(CCOOH) 300-1500 6.02E+08 1.11 0 36.56 0 0 0 0 2 Sumathy's CBS-QB3 calculations. -839 Others-R3H_SS C_rad_out_H/NonDeC Cs_H_out_H/(CCOOH) 300-1500 1.63E+07 1.54 0 37.27 0 0 0 0 2 Sumathy's CBS-QB3 calculations. -840 Others-R3H_SS Others-C_rad_out_Cs2 Cs_H_out_H/(CCOOH) 300-1500 3.13E+05 2.04 0 36.64 0 0 0 0 2 Sumathy's CBS-QB3 calculations. -841 Others-R3H_SS C_rad_out_2H Cs_H_out_H/((C/C)COOH) 300-1500 6.95E+09 0.79 0 34.71 0 0 0 0 2 Sumathy's CBS-QB3 calculations. -842 Others-R3H_SS C_rad_out_H/NonDeC Cs_H_out_H/((C/C)COOH) 300-1500 3.53E+10 0.68 0 37.43 0 0 0 0 2 Sumathy's CBS-QB3 calculations. -843 Others-R3H_SS Others-C_rad_out_Cs2 Cs_H_out_H/((C/C)COOH) 300-1500 4.44E+09 0.8 0 35.84 0 0 0 0 2 Sumathy's CBS-QB3 calculations. -844 Others-R3H_SS C_rad_out_2H Cs_H_out_H/(COOH) 300-1500 1.51E+08 1.16 0 36.24 0 0 0 0 2 Sumathy's CBS-QB3 calculations. -845 Others-R3H_SS C_rad_out_H/NonDeC Cs_H_out_H/(COOH) 300-1500 1.37E+07 1.36 0 37.15 0 0 0 0 2 -846 Others-R3H_SS Others-C_rad_out_Cs2 Cs_H_out_H/(COOH) 300-1500 4.08E+06 1.55 0 36.68 0 0 0 0 2 -847 Others-R3H_SS C_rad_out_2H Cs_H_out_H/((C/C)OOH) 300-1500 4.69E+09 0.68 0 34.81 0 0 0 0 2 -848 Others-R3H_SS C_rad_out_H/NonDeC Cs_H_out_H/((C/C)OOH) 300-1500 5.18E+08 0.87 0 36.12 0 0 0 0 2 -849 Others-R3H_SS Others-C_rad_out_Cs2 Cs_H_out_H/((C/C)OOH) 300-1500 1.07E+07 1.37 0 35.66 0 0 0 0 2 -8441 R4H_SSS C_rad_out_2H Cs_H_out_H/(COOH) 300-1500 8.73E+06 1.13 0 18.93 0 0 0 0 2 -8451 R4H_SSS C_rad_out_H/NonDeC Cs_H_out_H/(COOH) 300-1500 6.95E+05 1.38 0 19.67 0 0 0 0 2 -8461 R4H_SSS Others-C_rad_out_Cs2 Cs_H_out_H/(COOH) 300-1500 1.74E+04 1.89 0 18.51 0 0 0 0 2 -8471 R4H_SSS C_rad_out_2H Cs_H_out_H/((C/C)OOH) 300-1500 1.09E+09 0.55 0 17.43 0 0 0 0 2 -8481 R4H_SSS C_rad_out_H/NonDeC Cs_H_out_H/((C/C)OOH) 300-1500 7.86E+07 0.84 0 15.38 0 0 0 0 2 -8491 R4H_SSS Others-C_rad_out_Cs2 Cs_H_out_H/((C/C)OOH) 300-1500 1.05E+06 1.39 0 16.19 0 0 0 0 2 -//From 850 to 869 added by Sandeep. The rate rules are from DFT/CBSB7 level of calculations. -850 R3H_SS_O O_rad_out Cs_H_out_H/NonDeO 300-1500 3.00e8 1.23 0 36.85 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -851 R3H_SS_O O_rad_out Cs_H_out_NDMustO 300-1500 3.00e8 1.23 0 36.85 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -852 R4H_SSS_OOCsCs O_rad_out Cs_H_out_H/NonDeO 300-1500 1.61e8 1.09 0 26.14 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -855 R4H_SSS_OOCsCs O_rad_out Cs_H_out_NDMustO 300-1500 5.29e9 0.75 0 24.82 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -855 R4H_SSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_H/NonDeO 300-1500 9.20e8 0.82 0 26.28 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -856 R4H_SSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_NDMustO 300-1500 1.18e11 0.51 0 26.20 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -858 R5H_SSSS_OOCCC O_rad_out Cs_H_out_H/NonDeO 300-1500 1.15e4 2.11 0 15.47 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -863 R5H_SSSS_OOCCC O_rad_out Cs_H_out_NDMustO 300-1500 1.9e7 1.1 0 15.40 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -864 R5H_SSSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_H/NonDeO 300-1500 2.29e8 1.12 0 15.38 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -865 R5H_SSSS_OO(Cs/Cs)Cs O_rad_out Cs_H_out_NDMustO 300-1500 1.17e11 0.43 0 15.40 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -866 R6H_SSSSS_OO O_rad_out Cs_H_out_H/NonDeO 300-1500 5.49e2 2.21 0 14.38 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -867 R6H_SSSSS_OO O_rad_out Cs_H_out_NDMustO 300-1500 7.23e4 1.65 0 12.02 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -//// rwest 2008/10/22: these commented out because functional group R6H_SSSSS_(Cs/Cs)OO is not recognised -//867 R6H_SSSSS_(Cs/Cs)OO O_rad_out Cs_H_out_H/NonDeO 300-1500 1.6e4 1.89 0 14.38 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -//867 R6H_SSSSS_(Cs/Cs)OO O_rad_out Cs_H_out_NDMustO 300-1500 1.03e5 1.26 0 12.02 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -868 R7H_OOCs4 O_rad_out Cs_H_out_H/NonDeO 300-1500 9.33e5 0.75 0 12.82 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -869 R7H_OOCs4 O_rad_out Cs_H_out_NDMustO 300-1500 3.41e6 1.09 0 12.50 0 0 0 0 3 Sandeep's DFT/CBSB7 level of calculations. -//From 870 to 875 added by sandeep based on the work done on 1,3-hexadiene chemistry cbs-qb3 -870 R4H_SDS C_rad_out_2H Cd_H_out_doubleC 300-1600 1.32E+06 1.6229 0 44.071 0 0 0 0 3 Sandeep's CBS-QB3 calculations. -871 R4H_SDS Cd_rad_out_double Cs_H_out_2H 300-1600 1.11E+08 1.1915 0 24.7623 0 0 0 0 3 Sandeep's CBS-QB3 calculations. -872 R5H_SMSD C_rad_out_2H Cd_H_out_singleH 300-1600 2.19E+05 1.7613 0 38.275 0 0 0 0 3 Sandeep's CBS-QB3 calculations. -873 R5H_DSMS Cd_rad_out_singleH Cs_H_out_2H 300-1600 1.36E+05 1.9199 0 7.8968 0 0 0 0 3 Sandeep's CBS-QB3 calculations. -874 R3H_SD C_rad_out_2H Cd_H_out_singleDe 300-1600 1.59E+07 1.4638 0 66.3163 0 0 0 0 3 Sandeep's CBS-QB3 calculations. -875 R3H_DS Cd_rad_out_singleDe Cs_H_out_2H 300-1600 1283712039 1.0541 0 46.1467 0 0 0 0 3 Sandeep's CBS-QB3 calculations. - -1 Others-R2H_S C_rad_out_2H S_H_out 300-1500 7.22E-02 4.07E+00 0.00 20.90 0 0 0 0 1 A. G. Vandeputte -2 R3H_SS_C C_rad_out_2H S_H_out 300-1500 8.55E+01 3.04E+00 0.00 11.62 0 0 0 0 1 A. G. Vandeputte -3 R3H_SS_S C_rad_out_2H S_H_out 300-1500 8.21E-04 4.56E+00 0.00 16.05 0 0 0 0 1 A. G. Vandeputte -4 R4H_SSS C_rad_out_2H S_H_out 300-1500 3.73E+08 8.82E-01 0.00 5.35 0 0 0 0 1 A. G. Vandeputte -5 R4H_SSS C_rad_out_2H S_H_out 300-1500 1.91E+07 1.26E+00 0.00 7.13 0 0 0 0 1 A. G. Vandeputte -6 R4H_SSS C_rad_out_2H S_H_out 300-1500 1.18E+02 2.80E+00 0.00 7.75 0 0 0 0 1 A. G. Vandeputte -7 R4H_SSS C_rad_out_2H S_H_out 300-1500 2.10E+07 1.28E+00 0.00 7.93 0 0 0 0 1 A. G. Vandeputte -8 R5H_SSSS C_rad_out_2H S_H_out 300-1500 2.21E+10 2.14E-01 0.00 2.04 0 0 0 0 1 A. G. Vandeputte -9 R5H_SSSS C_rad_out_2H S_H_out 300-1500 1.82E+09 5.86E-01 0.00 3.88 0 0 0 0 1 A. G. Vandeputte -10 R5H_SSSS C_rad_out_2H S_H_out 300-1500 1.94E+10 3.29E-01 0.00 3.45 0 0 0 0 1 A. G. Vandeputte -11 R5H_SSSS C_rad_out_2H S_H_out 300-1500 1.88E+10 2.69E-01 0.00 3.69 0 0 0 0 1 A. G. Vandeputte diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/reactionAdjList.txt deleted file mode 100644 index 9640339f21..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/reactionAdjList.txt +++ /dev/null @@ -1,21 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan. 20, 2003 // -// // -////////////////////////////////////////////////////// - - -// f25 intra H migration - -RnH -> HR. - -thermo_consistence: - -Actions 1 -(1) BREAK_BOND {*2,S,*3} -(2) FORM_BOND {*1,S,*3} -(3) GAIN_RADICAL {*2,1} -(4) LOSE_RADICAL {*1,1} - diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/tree.txt b/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/tree.txt deleted file mode 100644 index 9fcc543ed8..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_H_migration/tree.txt +++ /dev/null @@ -1,255 +0,0 @@ -//Intramolecular H migration in radicals (S.R.,1/22/03) -//f25_intramolecular_HA -//No DD,DB,BD allowed, only BB,BBB,etc. -//C.D.W. 04/17/03: added C_rad_out_Cs2_cy3, Cs_H_out_Cs2_cy3, etc. -//for cases where the radical center or XH has "outside" ring attached to it, -//for e.g. cy3(.)CH3 --> cy3H-CH2(.) -//C.D.W. 04/20/03 : added R3H_SS_12cy3, etc. for cases where there is "inside" ring, -//for e.g. cyc(CH2CH(.)CH)CH3 --> cyc(CH3CH2CH)-CH2(.) -//1) Definition of "inside" ring : when at least two of the *1,*2,*4,..atoms -//are members of that ring. -//2) Added also R3H_SS_2Cd (for .C-Cd-CH case) -//3) Use "Others" : Others-[father] to catch the noncyclic cases (discussion with J.S. 04/17/03) -//4) The policy now is to add only nodes for which rate rules are available. -//Thus here I expanded R2H_S, R3H_SS, etc. but not for e.g. R2H_D, R3H_SD, etc. -//C.D.W. 05/28/03 : added R6H and R7H - -L1: RnH - L2: R2H - L3: R2H_S - L4: R2H_S_cy3 - L4: R2H_S_cy4 - L4: R2H_S_cy5 - L4: Others-R2H_S - L3: R2H_D - L3: R2H_B - L2: R3H - L3: R3H_SR - L4: R3H_SS - L5: R3H_SS_O // Adapted A.G. Vandeputte - L5: R3H_SS_S // Adapted A.G. Vandeputte - // Next Parent L5 has a specific value: children are rather exceptions than similar - L5: R3H_SS_C // Adapted A.G. Vandeputte - L6: R3H_SS_12cy3 - L6: R3H_SS_23cy3 - L6: R3H_SS_12cy4 - L6: R3H_SS_23cy4 - L6: R3H_SS_13cy4 - L6: R3H_SS_12cy5 - L6: R3H_SS_23cy5 - L6: R3H_SS_13cy5 - L5: R3H_SS_2Cd - L5: Others-R3H_SS - L4: R3H_SD - L4: R3H_ST - L4: R3H_SB - L3: R3H_MS - L4: R3H_DS - L4: R3H_TS - L4: R3H_BS - L3: R3H_BB - L2: R4H - L3: R4H_RSR - L4: R4H_RSS - L5: R4H_SSS - L6: R4H_SSS_OOCsCs - L7: R4H_SSS_OO(Cs/Cs)Cs - L7: R4H_SSS_OO(Cs/Cs/Cs)Cs - L5: R4H_DSS - L5: R4H_TSS - L5: R4H_BSS - L4: R4H_RSD - L5: R4H_SSD - L5: R4H_DSD - L5: R4H_TSD - L5: R4H_BSD - L4: R4H_RST - L5: R4H_SST - L5: R4H_DST - L5: R4H_TST - L5: R4H_BST - L4: R4H_RSB - L5: R4H_SSB - L5: R4H_DSB - L5: R4H_TSB - L5: R4H_BSB - L3: R4H_SMS - L4: R4H_SDS - L4: R4H_STS - L4: R4H_SBS - L3: R4H_SBB - L3: R4H_BBS - L3: R4H_BBB - L2: R5H - L3: R5H_RSSR - L4: R5H_SSSR - L5: R5H_SSSS - L6: R5H_SSSS_OOCCC - L7: R5H_SSSS_OO(Cs/Cs)Cs - L7: R5H_SSSS_OO(Cs/Cs/Cs)Cs - L7: R5H_SSSS_OOCs(Cs/Cs) - L7: R5H_SSSS_OOCs(Cs/Cs/Cs) - L5: R5H_SSSD - L5: R5H_SSST - L5: R5H_SSSB - L4: R5H_DSSR - L5: R5H_DSSS - L5: R5H_DSSD - L5: R5H_DSST - L5: R5H_DSSB - L4: R5H_TSSR - L5: R5H_TSSS - L5: R5H_TSSD - L5: R5H_TSST - L5: R5H_TSSB - L4: R5H_BSSR - L5: R5H_BSSS - L5: R5H_BSSD - L5: R5H_BSST - L5: R5H_BSSB - L3: R5H_RSMS - L4: R5H_SSMS - L4: R5H_DSMS - L4: R5H_TSMS - L4: R5H_BSMS - L3: R5H_SMSR - L4: R5H_SMSS - L4: R5H_SMSD - L4: R5H_SMST - L4: R5H_SMSB - L3: R5H_BBSR - L4: R5H_BBSS - L4: R5H_BBSD - L4: R5H_BBST - L4: R5H_BBSB - L3: R5H_RSBB - L4: R5H_SSBB - L4: R5H_DSBB - L4: R5H_TSBB - L4: R5H_BSBB - L3: R5H_SBBS - L3: R5H_SBBB - L3: R5H_BBBS - L3: R5H_BBBB - L2: R6H - L3: R6H_RSSSR - L4: R6H_SSSSR - L5: R6H_SSSSS - L6: R6H_SSSSS_OO - L5: R6H_SSSSD - L5: R6H_SSSST - L5: R6H_SSSSB - L4: R6H_DSSSR - L5: R6H_DSSSS - L5: R6H_DSSSD - L5: R6H_DSSST - L5: R6H_DSSSB - L4: R6H_TSSSR - L5: R6H_TSSSS - L5: R6H_TSSSD - L5: R6H_TSSST - L5: R6H_TSSSB - L4: R6H_BSSSR - L5: R6H_BSSSS - L5: R6H_BSSSD - L5: R6H_BSSST - L5: R6H_BSSSB - L3: R6H_RSSMS - L3: R6H_RSMSR - L3: R6H_SMSSR - L3: R6H_SMSMS - L3: R6H_BBSRS - L3: R6H_BBSSM - L3: R6H_BBSBB - L3: R6H_SBBSR - L3: R6H_RSBBS - L3: R6H_BBBSR - L3: R6H_SBBBS - L3: R6H_RSBBB - L3: R6H_SBBBB - L3: R6H_BBBBS - L3: R6H_BBBBB - L2: R7H - L3: R7H_OOCs4 -L1: Y_rad_out - L2: C_rad_out_single - L3: C_rad_out_2H - L3: C_rad_out_1H - L4: C_rad_out_H/NonDeC - L4: C_rad_out_H/NonDeO - L4: C_rad_out_H/NonDeS - L4: C_rad_out_H/OneDe - L3: C_rad_out_noH - L4: C_rad_out_NonDe - L5: C_rad_out_Cs2 - L6: C_rad_out_Cs2_cy3 - L6: C_rad_out_Cs2_cy4 - L6: C_rad_out_Cs2_cy5 - L6: Others-C_rad_out_Cs2 - L5: C_rad_out_NDMustO - L4: C_rad_out_OneDe - L5: C_rad_out_OneDe/Cs - L5: C_rad_out_OneDe/O - L5: C_rad_out_OneDe/S - L4: C_rad_out_TwoDe - L2: Cd_rad_out_double - L2: Cd_rad_out_single - L3: Cd_rad_out_singleH - L3: Cd_rad_out_singleNd - L3: Cd_rad_out_singleDe - L2: Ct_rad_out - L2: O_rad_out - L2: Cb_rad_out - L2: CO_rad_out - L2: C=S_rad_out - -// Sulfur centered radical branch, A. G. Vandeputte - - L2: S_rad_out - -L1: XH_out - L2: Cs_H_out - L3: Cs_H_out_2H - L3: Cs_H_out_1H - L4: Cs_H_out_H/NonDeC - L5: Cs_H_out_H/(NonDeC/Cs) -// L5: Cs_H_out_H/(NonDeC/Os/Os) - L5: Cs_H_out_H/(NonDeC/Cs/Cs) - L5: Cs_H_out_H/(NonDeC/Cs/Cs/Cs) -// L5: Cs_H_out_H/(CCCOOH) -// L5: Cs_H_out_H/((C/C)CCOOH) -// L5: Cs_H_out_H/(CCOOH) -// L5: Cs_H_out_H/((C/C)COOH) -// L5: Cs_H_out_H/(COOH) -// L5: Cs_H_out_H/((C/C)OOH) - L4: Cs_H_out_H/NonDeO - L4: Cs_H_out_H/OneDe - L3: Cs_H_out_noH - L4: Cs_H_out_NonDe - L5: Cs_H_out_Cs2 - L6: Cs_H_out_Cs2_cy3 - L6: Cs_H_out_Cs2_cy4 - L6: Cs_H_out_Cs2_cy5 - L6: Others-Cs_H_out_Cs2 - L5: Cs_H_out_NDMustO - L4: Cs_H_out_OneDe - L4: Cs_H_out_TwoDe - L2: Cd_H_out_double - L3: Cd_H_out_doubleC - L3: Cd_H_out_doubleO - L2: Cd_H_out_single - L3: Cd_H_out_singleH - L3: Cd_H_out_singleNd - L3: Cd_H_out_singleDe - L2: CO_H_out - L2: O_H_out - L2: Ct_H_out - L2: Cb_H_out - -// H-S branch, A. G. Vandeputte - - L2: S_H_out - - - - diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/CVS/Entries deleted file mode 100644 index 79b7e039ea..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/CVS/Entries +++ /dev/null @@ -1,4 +0,0 @@ -/dictionary.txt/1.2/Tue Jun 30 15:34:10 2009// -/rateLibrary.txt/1.2/Wed Aug 5 18:37:44 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.1/Mon Jun 1 19:01:21 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/CVS/Repository deleted file mode 100644 index 84a3967a19..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/intra_OH_migration diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/dictionary.txt deleted file mode 100644 index 57511bee60..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/dictionary.txt +++ /dev/null @@ -1,217 +0,0 @@ -//intra-molecular hydroxyl migration -//QOOH --> HOQOH -//C.D.W., S.R. (1/21/03) -//f33_intra_hydroxyl_migration - -//JS, correct typo: from "2 {Cd,Ct,Cb,O} 0 {1,S}" to "2 {Cd,Ct,Cb,CO} 0 {1,S}" in CdsingleDe_rad_out - -RnOOH -Union {ROOH, R2OOH, R3OOH, R4OOH} - -ROOH -1 *1 {Cd,Cs,Sid,Sis} 1 {2,S} -2 *2 O 0 {1,S}, {3,S} -3 *3 O 0 {2,S}, {4,S} -4 H 0 {3,S} - -R2OOH -1 *1 {Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,S} -3 *2 O 0 {2,S}, {4,S} -4 *3 O 0 {3,S}, {5,S} -5 H 0 {4,S} - -R2OOH_S -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 *2 O 0 {2,S}, {4,S} -4 *3 O 0 {3,S}, {5,S} -5 H 0 {4,S} - -R2OOH_D -1 *1 Cd 1 {2,D} -2 *4 {Cd,Cs} 0 {1,D}, {3,S} -3 *2 O 0 {2,S}, {4,S} -4 *3 O 0 {3,S}, {5,S} -5 H 0 {4,S} - -R3OOH -1 *1 {Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,{S,D}} -3 {Cd,Cs,Sid,Sis} 0 {2,{S,D}}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6 H 0 {5,S} - -R3OOH_SS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {Cd,Cs} 0 {2,S}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6 H 0 {5,S} - -R3OOH_SD -1 *1 {Cd,Cs} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6. H 0 {5,S} - -R3OOH_DS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {Cd,Cs} 0 {2,S}, {4,S} -4 *2 O 0 {3,S}, {5,S} -5 *3 O 0 {4,S}, {6,S} -6 H 0 {5,S} - -R4OOH -1 *1 {Cd,Cs,Sid,Sis} 1 {2,{S,D}} -2 *4 {Cd,Cs,Sid,Sis} 0 {1,{S,D}}, {3,{S,D}} -3 {Cd,Cs,Sid,Sis} 0 {2,{S,D}}, {4,{S,D}} -4 {Cd,Cs,Sid,Sis} 0 {3,{S,D}}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_SSS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 {Cd,Cs} 0 {2,S}, {4,S} -4 {Cd,Cs} 0 {3,S}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_SSD -1 *1 {Cd,Cs} 1 {2,S} -2 *4 {Cd,Cs} 0 {1,S}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_SDS -1 *1 {Cd,Cs} 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 Cd 0 {2,D}, {4,S} -4 {Cd,Cs} 0 {3,S}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_DSS -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 {Cd,Cs} 0 {2,S}, {4,S} -4 {Cd,Cs} 0 {3,S}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -R4OOH_DSD -1 *1 Cd 1 {2,D} -2 *4 Cd 0 {1,D}, {3,S} -3 Cd 0 {2,S}, {4,D} -4 Cd 0 {3,D}, {5,S} -5 *2 O 0 {4,S}, {6,S} -6 *3 O 0 {5,S}, {7,S} -7 H 0 {6,S} - -Y_rad_out -1 *1 {Cd,Cs,Sid,Sis} 1 - -C_rad_out_single -1 *1 C 1 {2,S}, {3,S} -2 R 0 {1,S} -3 R 0 {1,S} - -C_rad_out_2H -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -C_rad_out_1H -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 {R!H} 0 {1,S} - -C_rad_out_H/NonDeC -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 Cs 0 {1,S} - -C_rad_out_H/NonDeO -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 O 0 {1,S} - -C_rad_out_H/OneDe -1 *1 C 1 {2,S}, {3,S} -2 H 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -C_rad_out_noH -1 *1 C 1 {2,S}, {3,S} -2 {R!H} 0 {1,S} -3 {R!H} 0 {1,S} - -C_rad_out_NonDe -1 *1 C 1 {2,S}, {3,S} -2 {Cs,O} 0 {1,S} -3 {Cs,O} 0 {1,S} - -C_rad_out_Cs2 -1 *1 C 1 {2,S}, {3,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} - -C_rad_out_NDMustO -1 *1 C 1 {2,S}, {3,S} -2 O 0 {1,S} -3 {Cs,O} 0 {1,S} - -C_rad_out_OneDe -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cs,O} 0 {1,S} - -C_rad_out_OneDe/Cs -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 Cs 0 {1,S} - -C_rad_out_OneDe/O -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 O 0 {1,S} - -C_rad_out_TwoDe -1 *1 C 1 {2,S}, {3,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} - -Cd_rad_out -1 *1 Cd 1 {2,D} -2 Cd 0 {1,D} - -Cdsingle_rad_out -1 *1 Cd 1 {2,S} -2 R 0 {1,S} - -CdsingleH_rad_out -1 *1 Cd 1 {2,S} -2 H 0 {1,S} - -CdsingleND_rad_out -1 *1 Cd 1 {2,S} -2 {Cs,O} 0 {1,S} - -CdsingleDe_rad_out -1 *1 Cd 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - - diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/rateLibrary.txt deleted file mode 100644 index 751a96cb34..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/rateLibrary.txt +++ /dev/null @@ -1,18 +0,0 @@ -// rate library for f33: intra hydroxyl migration -// Originally from rate_library_4.txt, Cath, 03/07/28 - -// jing, define key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -//f33_intra_hydroxyl_migration -// RnOOH Y_rad_out Temp. A n a E0 DA Dn Da DE0 Rank Comments -826. RnOOH Y_rad_out 300-1500 1E+10 0 0 15 0 0 0 0 0 -827. R2OOH_S C_rad_out_2H 300-1500 3.39E+11 0 0 26.9 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. -828. R2OOH_S C_rad_out_H/NonDeC 300-1500 2.69E+11 0 0 24.3 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. -829. R3OOH_SS C_rad_out_2H 300-1500 4.47E+10 0 0 27.8 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. -830. R3OOH_SS C_rad_out_H/NonDeC 300-1500 2.88E+10 0 0 26.6 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. -831. R3OOH_SS C_rad_out_Cs2 300-1500 4.79E+10 0 0 26.3 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. -832. R4OOH_SSS C_rad_out_2H 300-1500 1.12E+10 0 0 16.3 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. -833. R4OOH_SSS C_rad_out_H/NonDeC 300-1500 1.00E+10 0 0 15.6 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. -834. R4OOH_SSS C_rad_out_Cs2 300-1500 8.71E+09 0 0 14.9 0 0 0 0 2 CBS-QB3 calculations (Catherina Wijaya). Treatment of hindered rotor included; hindered rotor PES are done at B3LYP/6-31g(d) level. - \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/reactionAdjList.txt deleted file mode 100644 index a289a01844..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/reactionAdjList.txt +++ /dev/null @@ -1,22 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Jing Song, Jan. 20, 2003 // -// // -////////////////////////////////////////////////////// - - -// f33 intra OH migration - -RnOOH -> HORO. - -forward -reverse: none - -Actions 1 -(1) BREAK_BOND {*2,S,*3} -(2) FORM_BOND {*1,S,*3} -(3) GAIN_RADICAL {*2,1} -(4) LOSE_RADICAL {*1,1} - diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/tree.txt b/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/tree.txt deleted file mode 100644 index 9c08266d30..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_OH_migration/tree.txt +++ /dev/null @@ -1,44 +0,0 @@ -//intra-molecular hydroxyl migration -//QOOH --> HOQOH -//C.D.W., S.R. (1/21/03) - -// JS, correct typo: from "cdsingleND_rad_out" to "CdsingleND_rad_out", since name is case-sensitive - -// f33_intra_hydroxyl_migration - -L1: RnOOH - L2: ROOH - L2: R2OOH - L3: R2OOH_S - L3: R2OOH_D - L2: R3OOH - L3: R3OOH_SS - L3: R3OOH_SD - L3: R3OOH_DS - L2: R4OOH - L3: R4OOH_SSS - L3: R4OOH_SSD - L3: R4OOH_SDS - L3: R4OOH_DSS - L3: R4OOH_DSD -L1: Y_rad_out - L2: C_rad_out_single - L3: C_rad_out_2H - L3: C_rad_out_1H - L4: C_rad_out_H/NonDeC - L4: C_rad_out_H/NonDeO - L4: C_rad_out_H/OneDe - L3: C_rad_out_noH - L4: C_rad_out_NonDe - L5: C_rad_out_Cs2 - L5: C_rad_out_NDMustO - L4: C_rad_out_OneDe - L5: C_rad_out_OneDe/Cs - L5: C_rad_out_OneDe/O - L4: C_rad_out_TwoDe - L2: Cd_rad_out - L2: Cdsingle_rad_out - L3: CdsingleH_rad_out - L3: CdsingleND_rad_out - L3: CdsingleDe_rad_out - diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/CVS/Entries deleted file mode 100644 index 04c3fd041e..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/CVS/Entries +++ /dev/null @@ -1,5 +0,0 @@ -/comments.txt/1.1/Wed Aug 5 18:25:54 2009// -/dictionary.txt/1.2/Tue Jun 9 16:08:43 2009// -/rateLibrary.txt/1.3/Wed Aug 5 21:29:37 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.2/Fri Jun 12 21:36:57 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/CVS/Repository deleted file mode 100644 index a0b71d758d..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/intra_H_migration diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/dictionary.txt deleted file mode 100644 index 09a2a54f5b..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/dictionary.txt +++ /dev/null @@ -1,993 +0,0 @@ -XSYJ -Union {XSR3J, XSR4J, XSR5J, XSR6J, XSR7J} - -XSR3J -1 *3 {R!H} 1 {2,{S,D}} -2 *4 {R!H} 0 {1,{S,D}} {3,S} -3 *1 Cs 0 {2,S} {4,S} -4 *2 Ss 0 {3,S} - -XSR3J_S -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *1 Cs 0 {2,S} {4,S} -4 *2 Ss 0 {3,S} - -XSR3J_D -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D} {3,S} -3 *1 Cs 0 {2,S} {4,S} -4 *2 Ss 0 {3,S} - -XSR4J -1 *3 {R!H} 1 {2,{S,D}} -2 *5 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *4 {R!H} 0 {2,{S,D}}, {4,S} -4 *1 Cs 0 {3,S} {5,S} -5 *2 Ss 0 {4,S} - -XSR4J_SS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,S} -3 *4 {R!H} 0 {2,S}, {4,S} -4 *1 Cs 0 {3,S} {5,S} -5 *2 Ss 0 {4,S} - -XSR4J_SD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,S} -3 *4 {R!H} 0 {2,S}, {4,S} -4 *1 Cs 0 {3,S} {5,S} -5 *2 Ss 0 {4,S} - -XSR4J_DS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,D} -3 *4 {R!H} 0 {2,D}, {4,S} -4 *1 Cs 0 {3,S} {5,S} -5 *2 Ss 0 {4,S} - -XSR4J_DD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,D} -3 *4 {R!H} 0 {2,D}, {4,S} -4 *1 Cs 0 {3,S} {5,S} -5 *2 Ss 0 {4,S} - -XSR5J -1 *3 {R!H} 1 {2,{S,D}} -2 *5 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *6 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *4 {R!H} 0 {3,{S,D}}, {5,S} -5 *1 Cs 0 {4,S} {6,S} -6 *2 Ss 0 {5,S} - -XSR5J_SSS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *4 {R!H} 0 {3,S}, {5,S} -5 *1 Cs 0 {4,S} {6,S} -6 *2 Ss 0 {5,S} - -XSR5J_SSD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *4 {R!H} 0 {3,S}, {5,S} -5 *1 Cs 0 {4,S} {6,S} -6 *2 Ss 0 {5,S} - -XSR5J_SDS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,D} -3 *6 {R!H} 0 {2,D}, {4,S} -4 *4 {R!H} 0 {3,S}, {5,S} -5 *1 Cs 0 {4,S} {6,S} -6 *2 Ss 0 {5,S} - -XSR5J_DSS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,D} -4 *4 {R!H} 0 {3,D}, {5,S} -5 *1 Cs 0 {4,S} {6,S} -6 *2 Ss 0 {5,S} - -XSR5J_SDD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,D} -3 *6 {R!H} 0 {2,D}, {4,S} -4 *4 {R!H} 0 {3,S}, {5,S} -5 *1 Cs 0 {4,S} {6,S} -6 *2 Ss 0 {5,S} - -XSR5J_DSD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,D} -4 *4 {R!H} 0 {3,D}, {5,S} -5 *1 Cs 0 {4,S} {6,S} -6 *2 Ss 0 {5,S} - -XSR5J_DDS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,D} -3 *6 {R!H} 0 {2,D}, {4,D} -4 *4 {R!H} 0 {3,D}, {5,S} -5 *1 Cs 0 {4,S} {6,S} -6 *2 Ss 0 {5,S} - -XSR5J_DDD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,D} -3 *6 {R!H} 0 {2,D}, {4,D} -4 *4 {R!H} 0 {3,D}, {5,S} -5 *1 Cs 0 {4,S} {6,S} -6 *2 Ss 0 {5,S} - -XSR6J -1 *3 {R!H} 1 {2,{S,D}} -2 *5 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *6 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *7 {R!H} 0 {3,{S,D}}, {5,{S,D}} -5 *4 {R!H} 0 {4,{S,D}}, {6,S} -6 *1 Cs 0 {5,S} {7,S} -7 *2 Ss 0 {6,S} - -XSR7J -1 *3 {R!H} 1 {2,{S,D}} -2 *5 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *6 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *7 {R!H} 0 {3,{S,D}}, {5,{S,D}} -5 *8 {R!H} 0 {4,{S,D}}, {6,{S,D}} -6 *4 {R!H} 0 {5,{S,D}}, {7,S} -7 *1 Cs 0 {6,S} {8,S} -8 *2 Ss 0 {7,S} - -YJ -union {CJ, SJ, CJ-3, SJ-3} - -// Need to define CJ-3 en SJ-3 because ring is to small to define *4 and *5 which are equal - -// -// RJ Tree for 4 and more membered rings -// - -CJ -Union {CsJ, CdsJ, CdsJ-2} - -CsJ -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-Cs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-CsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-CsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-Cd -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CdSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-CdOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-CdOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-Ss -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-SsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-SsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ -1 *3 C 1 {2,D}, {3,S} -2 *5 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-H -1 *3 C 1 {2,D}, {3,S} -2 *5 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-Cs -1 *3 C 1 {2,D}, {3,S} -2 *5 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-Cd -1 *3 C 1 {2,D}, {3,S} -2 *5 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-Ss -1 *3 C 1 {2,D}, {3,S} -2 *5 C 0 {1,D} -3 Ss 0 {1,S} - -CdsJ-2 -1 *3 C 1 {2,D}, {3,S} -2 R 0 {1,D} -3 *5 R 0 {1,S} - -CdsJ_C-2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *5 R 0 {1,S} - -CdsJ_C-Cs2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *5 Cs 0 {1,S} - -CdsJ_C-Cd2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *5 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ_C-Ss2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *5 Ss 0 {1,S} - -CdsJ_S-2 -1 *3 C 1 {2,D}, {3,S} -2 S 0 {1,D} -3 *5 R 0 {1,S} - -SJ -1 *3 Ss 1 {2,S} -2 *5 R 0 {1,S} - -SsJ -1 *3 Ss 1 {2,S} -2 *5 R 0 {1,S} - -SsJ-Cs -1 *3 Ss 1 {2,S} -2 *5 Cs 0 {1,S} - -SsJ-Ss -1 *3 Ss 1 {2,S} -2 *5 Ss 0 {1,S} - -SsJ-OneDe -1 *3 Ss 1 {2,S} -2 *5 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-Cd -1 *3 Ss 1 {2,S} -2 *5 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -// 3-membered rings have to dealt with seperately as *4 = *5 - -CJ-3 -Union {CsJ-3, CdsJ-3, CdsJ-3-2} - -CsJ-3 -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-Cs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-CsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-3-Cd -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-CdOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-3-Ss -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-SsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ-3 -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-3-H -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-3-Cs -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-3-Cd -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-3-Ss -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Ss 0 {1,S} - -CdsJ-3-2 -1 *3 C 1 {2,D}, {3,S} -2 R 0 {1,D} -3 *4 R 0 {1,S} - -CdsJ_C-3-2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 R 0 {1,S} - -CdsJ_C-3-Cs2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Cs 0 {1,S} - -CdsJ_C-3-Cd2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ_C-3-Ss2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Ss 0 {1,S} - -CdsJ_S-3-2 -1 *3 C 1 {2,D}, {3,S} -2 S 0 {1,D} -3 *4 R 0 {1,S} - -SJ-3 -1 *3 Ss 1 {2,S} -2 *4 R 0 {1,S} - -SsJ-3 -1 *3 Ss 1 {2,S} -2 *4 R 0 {1,S} - -SsJ-3-Cs -1 *3 Ss 1 {2,S} -2 *4 Cs 0 {1,S} - -SsJ-3-Ss -1 *3 Ss 1 {2,S} -2 *4 Ss 0 {1,S} - -SsJ-3-OneDe -1 *3 Ss 1 {2,S} -2 *4 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-3-Cd -1 *3 Ss 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - - -// -// -// - -// always S bond with Ss implied in group - - -C-RRR -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -C-RRC -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 C 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -C-(NonDe)C -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 C 0 {1,S} -3 {H,Cs,Os,Ss} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -C-HHC -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 C 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C-CsHC -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 C 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -C-CsCsC -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 C 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C-(OneDe)C -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 C 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -C-(TwoDe)C -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 C 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -C-RRS -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 S 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -C-(NonDe)S -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 S 0 {1,S} -3 {H,Cs,Os,Ss} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -C-HHS -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 S 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C-CsHS -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 S 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -C-CsCsS -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 S 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C-(OneDe)S -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 S 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -C-(TwoDe)S -1 *1 Cs 0 {2,S} {3,S} {4,S} -2 *4 S 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -S-R -1 *2 S 0 {2,S} -2 R 0 {1,S} - -S-H -1 *2 S 0 {2,S} -2 H 0 {1,S} - -S-Cs -1 *2 S 0 {2,S} -2 Cs 0 {1,S} - -S-Ss -1 *2 S 0 {2,S} -2 Ss 0 {1,S} \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/rateLibrary.txt deleted file mode 100644 index f6163faba6..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/rateLibrary.txt +++ /dev/null @@ -1,6 +0,0 @@ - -Arrhenius_EP - -// CBS-QB3 calculations - -1 XSYJ YJ C-RRR S-R 300-1500 1.0E+12 0 0 50.0 0 0 0 0 0 Aäron Vandeputte CBS-QB3 HO diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/reactionAdjList.txt deleted file mode 100644 index 9283e8a492..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/reactionAdjList.txt +++ /dev/null @@ -1,22 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Aäron Vandeputte 11 aug 2009 // -// // -////////////////////////////////////////////////////// - - -// f01 Intramolecular substitution on S - -XSYJ -> SY + XJ - -thermo_consistence -reverse(f26): Ring_Opening_bySradical - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) FORM_BOND {*1,S,*3} -(3) GAIN_RADICAL {*2,1} -(4) LOSE_RADICAL {*3,1} - diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/tree.txt b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/tree.txt deleted file mode 100644 index 93a73ba85e..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_cyclization/tree.txt +++ /dev/null @@ -1,185 +0,0 @@ -//Intramolecular substitution reaction - -L1: XSYJ - L2: XSR3J - L3: XSR3J_S - L3: XSR3J_D - L2: XSR4J - L3: XSR4J_SS - L3: XSR4J_SD - L3: XSR4J_DS - L3: XSR4J_DD - L2: XSR5J - L3: XSR5J_SSS - L3: XSR5J_SSD - L3: XSR5J_SDS - L3: XSR5J_DSS - L3: XSR5J_DDS - L3: XSR5J_DSD - L3: XSR5J_SDD - L3: XSR5J_DDD - L2: XSR6J - L2: XSR7J - -// Radical tree Radical - First group is ring group + Second and Third are the other two groups neighboring the radical centre -// Importance of defining the group that is part of the ring is not yet clear - -L1: YJ - L2: CJ - L3: CsJ - L4: CsJ-Cs - L5: CsJ-CsHH - L5: CsJ-CsCsH - L5: CsJ-CsCsCs - L5: CsJ-CsSsH - L5: CsJ-CsSsSs - L5: CsJ-CsCsSs - L5: CsJ-CsOneDe - L6: CsJ-CsOneDeH - L7: CsJ-CsCdH - L6: CsJ-CsOneDeCs - L7: CsJ-CsCdCs - L6: CsJ-CsOneDeSs - L7: CsJ-CsCdSs - L5: CsJ-CsTwoDe - L4: CsJ-Cd - L5: CsJ-CdHH - L5: CsJ-CdCsH - L5: CsJ-CdCsCs - L5: CsJ-CdSsH - L5: CsJ-CdSsSs - L5: CsJ-CdCsSs - L5: CsJ-CdOneDe - L6: CsJ-CdOneDeH - L7: CsJ-CdCdH - L6: CsJ-CdOneDeCs - L7: CsJ-CdCdCs - L6: CsJ-CdOneDeSs - L7: CsJ-CdCdSs - L5: CsJ-CdTwoDe - L4: CsJ-Ss - L5: CsJ-SsHH - L5: CsJ-SsCsH - L5: CsJ-SsCsCs - L5: CsJ-SsSsH - L5: CsJ-SsSsSs - L5: CsJ-SsCsSs - L5: CsJ-SsOneDe - L6: CsJ-SsOneDeH - L7: CsJ-SsCdH - L6: CsJ-SsOneDeCs - L7: CsJ-SsCdCs - L6: CsJ-SsOneDeSs - L7: CsJ-SsCdSs - L3: CdsJ - L4: CdsJ-H - L4: CdsJ-Cs - L4: CdsJ-Cd - L4: CdsJ-Ss - -// -2 : Double bound not part of ring - - L3: CdsJ-2 - L4: CdsJ_C-2 - L5: CdsJ_C-Cs2 - L5: CdsJ_C-Cd2 - L5: CdsJ_C-Ss2 - L4: CdsJ_S-2 - L2: SJ - L3: SsJ - L4: SsJ-Cs - L4: SsJ-Ss - L4: SsJ-OneDe - L5: SsJ-Cd - - - L2: CJ-3 - L3: CsJ-3 - L4: CsJ-3-Cs - L5: CsJ-3-CsHH - L5: CsJ-3-CsCsH - L5: CsJ-3-CsCsCs - L5: CsJ-3-CsSsH - L5: CsJ-3-CsSsSs - L5: CsJ-3-CsCsSs - L5: CsJ-3-CsOneDe - L6: CsJ-3-CsOneDeH - L7: CsJ-3-CsCdH - L6: CsJ-3-CsOneDeCs - L7: CsJ-3-CsCdCs - L6: CsJ-3-CsOneDeSs - L7: CsJ-3-CsCdSs - L5: CsJ-3-CsTwoDe - L4: CsJ-3-Cd - L5: CsJ-3-CdHH - L5: CsJ-3-CdCsH - L5: CsJ-3-CdCsCs - L5: CsJ-3-CdSsH - L5: CsJ-3-CdSsSs - L5: CsJ-3-CdCsSs - L5: CsJ-3-CdOneDe - L6: CsJ-3-CdOneDeH - L7: CsJ-3-CdCdH - L6: CsJ-3-CdOneDeCs - L7: CsJ-3-CdCdCs - L6: CsJ-3-CdOneDeSs - L7: CsJ-3-CdCdSs - L5: CsJ-3-CdTwoDe - L4: CsJ-3-Ss - L5: CsJ-3-SsHH - L5: CsJ-3-SsCsH - L5: CsJ-3-SsCsCs - L5: CsJ-3-SsSsH - L5: CsJ-3-SsSsSs - L5: CsJ-3-SsCsSs - L5: CsJ-3-SsOneDe - L6: CsJ-3-SsOneDeH - L7: CsJ-3-SsCdH - L6: CsJ-3-SsOneDeCs - L7: CsJ-3-SsCdCs - L6: CsJ-3-SsOneDeSs - L7: CsJ-3-SsCdSs - L3: CdsJ-3 - L4: CdsJ-3-H - L4: CdsJ-3-Cs - L4: CdsJ-3-Cd - L4: CdsJ-3-Ss - -// -2 : Double bound not part of ring - - L3: CdsJ-3-2 - L3: CdsJ_C-3-2 - L4: CdsJ_C-3-Cs2 - L4: CdsJ_C-3-Cd2 - L4: CdsJ_C-3-Ss2 - L3: CdsJ_S-3-2 - L2: SJ-3 - L3: SsJ-3 - L4: SsJ-3-Cs - L4: SsJ-3-Ss - L4: SsJ-3-OneDe - L5: SsJ-3-Cd - - - -L1: C-RRR - L2: C-RRC - L3: C-(NonDe)C - L4: C-HHC - L4: C-CsHC - L4: C-CsCsC - L3: C-(OneDe)C - L3: C-(TwoDe)C - L2: C-RRS - L3: C-(NonDe)S - L4: C-HHS - L4: C-CsHS - L4: C-CsCsS - L3: C-(OneDe)S - L3: C-(TwoDe)S - - -L1: S-R - L2: S-H - L2: S-Cs - L2: S-Ss diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/CVS/Entries deleted file mode 100644 index 04c3fd041e..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/CVS/Entries +++ /dev/null @@ -1,5 +0,0 @@ -/comments.txt/1.1/Wed Aug 5 18:25:54 2009// -/dictionary.txt/1.2/Tue Jun 9 16:08:43 2009// -/rateLibrary.txt/1.3/Wed Aug 5 21:29:37 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.2/Fri Jun 12 21:36:57 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/CVS/Repository deleted file mode 100644 index a0b71d758d..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/intra_H_migration diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/dictionary.txt deleted file mode 100644 index 494570c658..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/dictionary.txt +++ /dev/null @@ -1,709 +0,0 @@ -XSYJ -Union {XSR3J, XSR4J, XSR5J, XSR6J, XSR7J} - -XSR3J -1 *3 {R!H} 1 {2,{S,D}} -2 *2 Ss 0 {1,{S,D}} {3,S} -3 *1 C 0 {2,S} - -XSR3J_S -1 *3 {R!H} 1 {2,S} -2 *2 Ss 0 {1,S} {3,S} -3 *1 C 0 {2,S} - -XSR4J -1 *3 {R!H} 1 {2,{S,D}} -2 *4 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *2 Ss 0 {2,{S,D}}, {4,S} -4 *1 C 0 {3,S} - -XSR4J_SS -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 Ss 0 {2,S}, {4,S} -4 *1 C 0 {3,S} - -XSR4J_SD -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,S} -3 *2 Ss 0 {2,S}, {4,S} -4 *1 C 0 {3,S} - -XSR5J -1 *3 {R!H} 1 {2,{S,D}} -2 *4 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *5 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *2 Ss 0 {3,{S,D}}, {5,S} -5 *1 C 0 {4,S} - -XSR5J_SSS -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 Ss 0 {3,S}, {5,S} -5 *1 C 0 {4,S} - -XSR5J_SSD -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 Ss 0 {3,S}, {5,S} -5 *1 C 0 {4,S} - -XSR5J_SDS -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,D} -3 *5 {R!H} 0 {2,D}, {4,S} -4 *2 Ss 0 {3,S}, {5,S} -5 *1 C 0 {4,S} - -XSR5J_SDD -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,D} -3 *5 {R!H} 0 {2,D}, {4,S} -4 *2 Ss 0 {3,S}, {5,S} -5 *1 C 0 {4,S} - -XSR6J -1 *3 {R!H} 1 {2,{S,D}} -2 *4 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *5 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *6 {R!H} 0 {3,{S,D}}, {5,{S,D}} -5 *2 Ss 0 {4,{S,D}}, {6,S} -6 *1 C 0 {5,S} - -XSR7J -1 *3 {R!H} 1 {2,{S,D}} -2 *4 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *5 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *6 {R!H} 0 {3,{S,D}}, {5,{S,D}} -5 *7 {R!H} 0 {4,{S,D}}, {6,{S,D}} -6 *2 Ss 0 {5,{S,D}}, {7,S} -7 *1 C 0 {6,S} - -YJ -union {CJ, SJ, CJ-3, SJ-3} - -// Need to define CJ-3 en SJ-3 because ring is to small to define *2 and *4 which are equal - -// -// RJ Tree for 4 and more membered rings -// - -CJ -Union {CsJ, CdsJ, CdsJ-2} - -CsJ -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-Cs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-CsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-CsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-Cd -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CdSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-CdOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-CdOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-Ss -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-SsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-SsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-H -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-Cs -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-Cd -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-Ss -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Ss 0 {1,S} - -CdsJ-2 -1 *3 C 1 {2,D}, {3,S} -2 R 0 {1,D} -3 *4 R 0 {1,S} - -CdsJ_C-2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 R 0 {1,S} - -CdsJ_C-Cs2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Cs 0 {1,S} - -CdsJ_C-Cd2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ_C-Ss2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Ss 0 {1,S} - -CdsJ_S-2 -1 *3 C 1 {2,D}, {3,S} -2 S 0 {1,D} -3 *4 R 0 {1,S} - -SJ -1 *3 Ss 1 {2,S} -2 *4 R 0 {1,S} - -SsJ -1 *3 Ss 1 {2,S} -2 *4 R 0 {1,S} - -SsJ-Cs -1 *3 Ss 1 {2,S} -2 *4 Cs 0 {1,S} - -SsJ-Ss -1 *3 Ss 1 {2,S} -2 *4 Ss 0 {1,S} - -SsJ-OneDe -1 *3 Ss 1 {2,S} -2 *4 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-Cd -1 *3 Ss 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -// 3-membered rings have to dealt with seperately as *2 = *4 - -CJ-3 -Union {CsJ-3, CdsJ-3} - -CsJ-3 -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-SsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ-3 -1 *3 C 1 {2,D}, {3,S} -2 R 0 {1,D} -3 *2 Ss 0 {1,S} - -SJ-3 -1 *3 Ss 1 {2,S} -2 *2 Ss 0 {1,S} - -// -// R-H Tree -// - -C -Union {C-RRR, Cds-R, Ct} - -C-RRR -1 *1 C 0 {2,S} {3,S} {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -C-NonDe -1 *1 C 0 {2,S} {3,S} {4,S} -2 {H,Cs,Os,Ss} 0 {1,S} -3 {H,Cs,Os,Ss} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -C-HHH -1 *1 C 0 {2,S} {3,S} {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C-CsHH -1 *1 C 0 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C-CsCsH -1 *1 C 0 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -C-CsCsCs -1 *1 C 0 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C-OneS -1 *1 C 0 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 {H,Cs,Os} 0 {1,S} -4 {H,Cs,Os} 0 {1,S} - -C-SsHH -1 *1 C 0 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C-SsCsH -1 *1 C 0 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -C-SsCsCs -1 *1 C 0 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C-OneDe -1 *1 C 0 {2,S} {3,S} {4,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -C-CdHH -1 *1 C 0 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C-CdCsH -1 *1 C 0 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -C-CdCsCs -1 *1 C 0 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C-CdSsH -1 *1 C 0 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -C-CdSsCs -1 *1 C 0 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -C-CdSsSs -1 *1 C 0 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -C-CtHH -1 *1 C 0 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C-CtCsH -1 *1 C 0 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -C-CtCsCs -1 *1 C 0 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C-CtSsH -1 *1 C 0 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -C-CtSsCs -1 *1 C 0 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Ss 0 {1,S} -4 Cs 0 {1,S} - -C-CtSsSs -1 *1 C 0 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -Cds-R -1 *1 Cd 0 {2,S} {3,D} -2 R 0 {1,S} -3 R 0 {1,D} - -Ct -1 *1 Ct 0 \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/forbiddenGroups.txt b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/forbiddenGroups.txt deleted file mode 100644 index 92335629af..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/forbiddenGroups.txt +++ /dev/null @@ -1,9 +0,0 @@ -RR_13 -1 *1 R 0 {2,{S,D}} -2 *3 R 1 {1,{S,D}} - -// Exception - -RR_birad -1 *3 R 1 {2,{S,D}} -2 R 1 {1,{S,D}} \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/rateLibrary.txt deleted file mode 100644 index f3b80bfdf5..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/rateLibrary.txt +++ /dev/null @@ -1,10 +0,0 @@ - -Arrhenius_EP - -// CBS-QB3 calculations - -1 XSYJ C YJ 300-1500 1.0E+12 0.0 0.00 50.0 0 0 0 0 1 A. G. Vandeputte - -2 XSR3J_S C-HHH CsJ-3-SsHH 300-1500 1.03E+09 1.057 0.00 45.5 0 0 0 0 1 A. G. Vandeputte -3 XSR4J_SS C-HHH CsJ-CsHH 300-1500 6.76E+10 0.394 0.00 45.7 0 0 0 0 1 A. G. Vandeputte -4 XSR4J_SS C-HHH CsJ-SsHH 300-1500 1.51E+11 0.327 0.00 55.1 0 0 0 0 1 A. G. Vandeputte diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/reactionAdjList.txt deleted file mode 100644 index 353c4f9d58..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/reactionAdjList.txt +++ /dev/null @@ -1,21 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Aäron Vandeputte 11 aug 2009 // -// // -////////////////////////////////////////////////////// - -// f01 Intramolecular substitution on S - -XSYJ -> XSYJ - -thermo_consistence: - - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) FORM_BOND {*1,S,*3} -(3) GAIN_RADICAL {*2,1} -(4) LOSE_RADICAL {*3,1} - diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/tree.txt b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/tree.txt deleted file mode 100644 index 66b7d52ea9..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionCS_isomerization/tree.txt +++ /dev/null @@ -1,133 +0,0 @@ -//Intramolecular substitution reaction - -L1: XSYJ - L2: XSR3J - L3: XSR3J_S - L2: XSR4J - L3: XSR4J_SS - L3: XSR4J_SD - L2: XSR5J - L3: XSR5J_SSS - L3: XSR5J_SSD - L3: XSR5J_SDS - L3: XSR5J_SDD - L2: XSR6J - L2: XSR7J - -// Radical tree Radical - First group is ring group + Second and Third are the other two groups neighboring the radical centre -// Importance of defining the group that is part of the ring is not yet clear - -L1: YJ - L2: CJ - L3: CsJ - L4: CsJ-Cs - L5: CsJ-CsHH - L5: CsJ-CsCsH - L5: CsJ-CsCsCs - L5: CsJ-CsSsH - L5: CsJ-CsSsSs - L5: CsJ-CsCsSs - L5: CsJ-CsOneDe - L6: CsJ-CsOneDeH - L7: CsJ-CsCdH - L6: CsJ-CsOneDeCs - L7: CsJ-CsCdCs - L6: CsJ-CsOneDeSs - L7: CsJ-CsCdSs - L5: CsJ-CsTwoDe - L4: CsJ-Cd - L5: CsJ-CdHH - L5: CsJ-CdCsH - L5: CsJ-CdCsCs - L5: CsJ-CdSsH - L5: CsJ-CdSsSs - L5: CsJ-CdCsSs - L5: CsJ-CdOneDe - L6: CsJ-CdOneDeH - L7: CsJ-CdCdH - L6: CsJ-CdOneDeCs - L7: CsJ-CdCdCs - L6: CsJ-CdOneDeSs - L7: CsJ-CdCdSs - L5: CsJ-CdTwoDe - L4: CsJ-Ss - L5: CsJ-SsHH - L5: CsJ-SsCsH - L5: CsJ-SsCsCs - L5: CsJ-SsSsH - L5: CsJ-SsSsSs - L5: CsJ-SsCsSs - L5: CsJ-SsOneDe - L6: CsJ-SsOneDeH - L7: CsJ-SsCdH - L6: CsJ-SsOneDeCs - L7: CsJ-SsCdCs - L6: CsJ-SsOneDeSs - L7: CsJ-SsCdSs - L3: CdsJ - L4: CdsJ-H - L4: CdsJ-Cs - L4: CdsJ-Cd - L4: CdsJ-Ss - -// -2 : Double bound not part of ring - - L3: CdsJ-2 - L4: CdsJ_C-2 - L4: CdsJ_C-Cs2 - L4: CdsJ_C-Cd2 - L4: CdsJ_C-Ss2 - L4: CdsJ_S-2 - L2: SJ - L3: SsJ - L4: SsJ-Cs - L4: SsJ-Ss - L4: SsJ-OneDe - L5: SsJ-Cd - - L2: CJ-3 - L3: CsJ-3 - L4: CsJ-3-SsHH - L4: CsJ-3-SsCsH - L4: CsJ-3-SsCsCs - L4: CsJ-3-SsSsH - L4: CsJ-3-SsSsSs - L4: CsJ-3-SsCsSs - L4: CsJ-3-SsOneDe - L5: CsJ-3-SsOneDeH - L6: CsJ-3-SsCdH - L5: CsJ-3-SsOneDeCs - L6: CsJ-3-SsCdCs - L5: CsJ-3-SsOneDeSs - L6: CsJ-3-SsCdSs - L4: CsJ-3-SsTwoDe - L3: CdsJ-3 - - L2: SJ-3 - -L1: C - L2: C-RRR - L3: C-NonDe - L4: C-HHH - L4: C-CsHH - L4: C-CsCsH - L4: C-CsCsCs - L4: C-OneS - L5: C-SsHH - L5: C-SsCsH - L5: C-SsCsCs - L3: C-OneDe - L4: C-CdHH - L4: C-CdCsH - L4: C-CdCsCs - L4: C-CdSsH - L4: C-CdSsCs - L4: C-CdSsSs - L4: C-CtHH - L4: C-CtCsH - L4: C-CtCsCs - L4: C-CtSsH - L4: C-CtSsCs - L4: C-CtSsSs - L2: Cds-R - L2: Ct \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/CVS/Entries deleted file mode 100644 index 04c3fd041e..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/CVS/Entries +++ /dev/null @@ -1,5 +0,0 @@ -/comments.txt/1.1/Wed Aug 5 18:25:54 2009// -/dictionary.txt/1.2/Tue Jun 9 16:08:43 2009// -/rateLibrary.txt/1.3/Wed Aug 5 21:29:37 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.2/Fri Jun 12 21:36:57 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/CVS/Repository deleted file mode 100644 index a0b71d758d..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/intra_H_migration diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/Oude kopie van dict.txt b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/Oude kopie van dict.txt deleted file mode 100644 index f67573b55d..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/Oude kopie van dict.txt +++ /dev/null @@ -1,1166 +0,0 @@ -XSYJ -Union {XSR3J, XSR4J, XSR5J, XSR6J, XSR7J} - -XSR3J -1 *3 {R!H} 1 {2,{S,D}} -2 {R!H} 0 {1,{S,D}} {3,S} -3 *1 Ss 0 {2,S} {4,S} -4 *2 R 0 {3,S} - -XSR3J_S -1 *3 {R!H} 1 {2,S} -2 {R!H} 0 {1,S} {3,S} -3 *1 Ss 0 {2,S} {4,S} -4 *2 R 0 {3,S} - -XSR3J_D -1 *3 {R!H} 1 {2,D} -2 {R!H} 0 {1,D} {3,S} -3 *1 Ss 0 {2,S} {4,S} -4 *2 R 0 {3,S} - -XSR4J -1 *3 {R!H} 1 {2,{S,D}} -2 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 {R!H} 0 {2,{S,D}}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 *2 R 0 {4,S} - -XSR4J_SS -1 *3 {R!H} 1 {2,S} -2 {R!H} 0 {1,S}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 *2 R 0 {4,S} - -XSR4J_SD -1 *3 {R!H} 1 {2,D} -2 {R!H} 0 {1,D}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 *2 R 0 {4,S} - -XSR4J_DS -1 *3 {R!H} 1 {2,S} -2 {R!H} 0 {1,S}, {3,D} -3 {R!H} 0 {2,D}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 *2 R 0 {4,S} - -XSR4J_DD -1 *3 {R!H} 1 {2,D} -2 {R!H} 0 {1,D}, {3,D} -3 {R!H} 0 {2,D}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 *2 R 0 {4,S} - -XSR5J -1 *3 {R!H} 1 {2,{S,D}} -2 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 {R!H} 0 {3,{S,D}}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_SSS -1 *3 {R!H} 1 {2,S} -2 {R!H} 0 {1,S}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_SSD -1 *3 {R!H} 1 {2,D} -2 {R!H} 0 {1,D}, {3,S} -3 {R!H} 0 {2,S}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_SDS -1 *3 {R!H} 1 {2,S} -2 {R!H} 0 {1,S}, {3,D} -3 {R!H} 0 {2,D}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_DSS -1 *3 {R!H} 1 {2,S} -2 {R!H} 0 {1,S}, {3,S} -3 {R!H} 0 {2,S}, {4,D} -4 {R!H} 0 {3,D}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_SDD -1 *3 {R!H} 1 {2,D} -2 {R!H} 0 {1,D}, {3,D} -3 {R!H} 0 {2,D}, {4,S} -4 {R!H} 0 {3,S}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_DSD -1 *3 {R!H} 1 {2,D} -2 {R!H} 0 {1,D}, {3,S} -3 {R!H} 0 {2,S}, {4,D} -4 {R!H} 0 {3,D}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_DDS -1 *3 {R!H} 1 {2,S} -2 {R!H} 0 {1,S}, {3,D} -3 {R!H} 0 {2,D}, {4,D} -4 {R!H} 0 {3,D}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_DDD -1 *3 {R!H} 1 {2,D} -2 {R!H} 0 {1,D}, {3,D} -3 {R!H} 0 {2,D}, {4,D} -4 {R!H} 0 {3,D}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR6J -1 *3 {R!H} 1 {2,{S,D}} -2 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 {R!H} 0 {3,{S,D}}, {5,{S,D}} -5 {R!H} 0 {4,{S,D}}, {6,S} -6 *1 Ss 0 {5,S} {7,S} -7 *2 R 0 {6,S} - -XSR7J -1 *3 {R!H} 1 {2,{S,D}} -2 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 {R!H} 0 {3,{S,D}}, {5,{S,D}} -5 {R!H} 0 {4,{S,D}}, {6,{S,D}} -6 {R!H} 0 {5,{S,D}}, {7,S} -7 *1 Ss 0 {6,S} {8,S} -8 *2 R 0 {7,S} - -// -// R-H Tree -// - -S-RR -1 *1 Ss 0 {2,S} {3,S} -2 R 0 {1,S} -3 *2 R 0 {1,S} - -S-HC -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 C 0 {1,S} - -S-CC -1 *1 Ss 0 {2,S} {3,S} -2 C 0 {1,S} -3 *2 C 0 {1,S} - -S-CsC -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} -3 *2 C 0 {1,S} - -S-Cs(NonDe)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} - -S-Cs(HHH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -S-Cs(CsHH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(CsCsH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 H 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(CsCsCs)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(De)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 R 0 {2,S} -6 R 0 {2,S} - -S-Cs(OneDe)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} - -S-Cs(CdHH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cd 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -S-Cs(CdCsH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cd 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -S-Cs(CdCsCs)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cd 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(CtHH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cd 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -S-Cs(CtCsH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cd 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -S-Cs(CtCsCs)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cd 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(TwoDe)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {H,Cs} 0 {2,S} - -S-Cs(ThreeDe)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -S-CdC -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} -3 *2 C 0 {1,S} -4 C 0 {2,D} - -S-Cds(H)C -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 C 0 {1,S} -4 C 0 {2,D} -5 H 0 {2,S} - -S-Cds(Cs)C -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 C 0 {1,S} -4 C 0 {2,D} -5 Cs 0 {2,S} - -S-CtC -1 *1 Ss 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 C 0 {1,S} - -S-CbC -1 *1 Ss 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 C 0 {1,S} - -S-CSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 S 0 {1,S} -3 C 0 {1,S} - -S-CsSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} - -S-Cs(HHH)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsHH)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsH)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsCs)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-CdSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-Cds(H)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} - -S-Cds(Cs)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} - -S-CtSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Ct 0 {1,S} - -S-CbSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cb 0 {1,S} - -S-SC -1 *1 Ss 0 {2,S} {3,S} -2 S 0 {1,S} -3 *2 C 0 {1,S} - -S-SsC -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} -3 *2 C 0 {1,S} - -S-Ss(H)C -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 C 0 {1,S} -4 H 0 {2,S} - -S-Ss(Cs)C -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 C 0 {1,S} -4 Cs 0 {2,S} - -S-Ss(Ss)C -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 C 0 {1,S} -4 Ss 0 {2,S} - -S-HSs -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Ss 0 {1,S} - -S-SsSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Ss 0 {1,S} - -S-Ss(H)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Ss 0 {1,S} {4,S} -4 H 0 {3,S} - -S-Ss(Cs)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Ss 0 {1,S} {4,S} -4 Cs 0 {3,S} - -S-Ss(Ss)Ss -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} -3 *2 Ss 0 {1,S} {4,S} -4 Ss 0 {3,S} - - - - -YJ -union {CJ, SJ, CJ-3, SJ-3} - -// Need to define CJ-3 en SJ-3 because ring is to small to define and which are equal - -// -// RJ Tree for 4 and more membered rings -// - -CJ -1 *3 C 1 {2,S} -2 R 0 {1,S} - -CsJ -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-Cs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-CsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-CsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-Cd -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CdSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-CdOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-CdOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-Ss -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-SsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-SsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-H -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-Cs -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-Cs2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-Cd -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-Cd2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-Ss -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Ss 0 {1,S} - -CdsJ-Ss2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Ss 0 {1,S} - -SJ -1 *3 Ss 1 {2,S} -2 R 0 {1,S} - -SsJ -1 *3 Ss 1 {2,S} -2 R 0 {1,S} - -SsJ-Cs -1 *3 Ss 1 {2,S} -2 Cs 0 {1,S} - -SsJ-Ss -1 *3 Ss 1 {2,S} -2 Ss 0 {1,S} - -SsJ-OneDe -1 *3 Ss 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-Cd -1 *3 Ss 1 {2,S} -2 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -// 3-membered rings have to dealt with seperately as = - -CJ-3 -1 *3 C 1 {2,S} -2 R 0 {1,S} - -CsJ-3 -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-Cs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-CsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-3-Cd -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-CdOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-3-Ss -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-SsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ-3 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-3-2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-3-H -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-3-Cs -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-3-Cs2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-3-Cd -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-3-Cd2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-3-Ss -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Ss 0 {1,S} - -CdsJ-3-Ss2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 Ss 0 {1,S} - -SJ-3 -1 *3 Ss 1 {2,S} -2 R 0 {1,S} - -SsJ-3 -1 *3 Ss 1 {2,S} -2 R 0 {1,S} - -SsJ-3-Cs -1 *3 Ss 1 {2,S} -2 Cs 0 {1,S} - -SsJ-3-Ss -1 *3 Ss 1 {2,S} -2 Ss 0 {1,S} - -SsJ-3-OneDe -1 *3 Ss 1 {2,S} -2 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-3-Cd -1 *3 Ss 1 {2,S} -2 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/dictionary.txt deleted file mode 100644 index 7b4cd21609..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/dictionary.txt +++ /dev/null @@ -1,1181 +0,0 @@ -XSYJ -Union {XSR3J, XSR4J, XSR5J, XSR6J, XSR7J} - -XSR3J -1 *3 {R!H} 1 {2,{S,D}} -2 *4 {R!H} 0 {1,{S,D}} {3,S} -3 *1 Ss 0 {2,S} {4,S} -4 *2 R 0 {3,S} - -XSR3J_S -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S} {3,S} -3 *1 Ss 0 {2,S} {4,S} -4 *2 R 0 {3,S} - -XSR3J_D -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D} {3,S} -3 *1 Ss 0 {2,S} {4,S} -4 *2 R 0 {3,S} - -XSR4J -1 *3 {R!H} 1 {2,{S,D}} -2 *5 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *4 {R!H} 0 {2,{S,D}}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 *2 R 0 {4,S} - -XSR4J_SS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,S} -3 *4 {R!H} 0 {2,S}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 *2 R 0 {4,S} - -XSR4J_SD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,S} -3 *4 {R!H} 0 {2,S}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 *2 R 0 {4,S} - -XSR4J_DS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,D} -3 *4 {R!H} 0 {2,D}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 *2 R 0 {4,S} - -XSR4J_DD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,D} -3 *4 {R!H} 0 {2,D}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 *2 R 0 {4,S} - -XSR5J -1 *3 {R!H} 1 {2,{S,D}} -2 *5 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *6 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *4 {R!H} 0 {3,{S,D}}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_SSS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *4 {R!H} 0 {3,S}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_SSD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,S} -4 *4 {R!H} 0 {3,S}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_SDS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,D} -3 *6 {R!H} 0 {2,D}, {4,S} -4 *4 {R!H} 0 {3,S}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_DSS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,D} -4 *4 {R!H} 0 {3,D}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_SDD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,D} -3 *6 {R!H} 0 {2,D}, {4,S} -4 *4 {R!H} 0 {3,S}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_DSD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,S} -3 *6 {R!H} 0 {2,S}, {4,D} -4 *4 {R!H} 0 {3,D}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_DDS -1 *3 {R!H} 1 {2,S} -2 *5 {R!H} 0 {1,S}, {3,D} -3 *6 {R!H} 0 {2,D}, {4,D} -4 *4 {R!H} 0 {3,D}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR5J_DDD -1 *3 {R!H} 1 {2,D} -2 *5 {R!H} 0 {1,D}, {3,D} -3 *6 {R!H} 0 {2,D}, {4,D} -4 *4 {R!H} 0 {3,D}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 *2 R 0 {5,S} - -XSR6J -1 *3 {R!H} 1 {2,{S,D}} -2 *5 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *6 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *7 {R!H} 0 {3,{S,D}}, {5,{S,D}} -5 *4 {R!H} 0 {4,{S,D}}, {6,S} -6 *1 Ss 0 {5,S} {7,S} -7 *2 R 0 {6,S} - -XSR7J -1 *3 {R!H} 1 {2,{S,D}} -2 *5 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *6 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *7 {R!H} 0 {3,{S,D}}, {5,{S,D}} -5 *8 {R!H} 0 {4,{S,D}}, {6,{S,D}} -6 *4 {R!H} 0 {5,{S,D}}, {7,S} -7 *1 Ss 0 {6,S} {8,S} -8 *2 R 0 {7,S} - -YJ -union {CJ, SJ, CJ-3, SJ-3} - -// Need to define CJ-3 en SJ-3 because ring is to small to define *4 and *5 which are equal - -// -// RJ Tree for 4 and more membered rings -// - -CJ -Union {CsJ, CdsJ,CdsJ-2} - -CsJ -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-Cs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-CsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-CsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-Cd -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CdSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-CdOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-CdOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-Ss -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-SsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-SsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *5 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ -1 *3 C 1 {2,D}, {3,S} -2 *5 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-H -1 *3 C 1 {2,D}, {3,S} -2 *5 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-Cs -1 *3 C 1 {2,D}, {3,S} -2 *5 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-Cd -1 *3 C 1 {2,D}, {3,S} -2 *5 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-Ss -1 *3 C 1 {2,D}, {3,S} -2 *5 C 0 {1,D} -3 Ss 0 {1,S} - -CdsJ-2 -1 *3 C 1 {2,D}, {3,S} -2 R 0 {1,D} -3 *5 R 0 {1,S} - -CdsJ_C-2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *5 R 0 {1,S} - -CdsJ_C-Cs2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *5 Cs 0 {1,S} - -CdsJ_C-Cd2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *5 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ_C-Ss2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *5 Ss 0 {1,S} - -CdsJ_S-2 -1 *3 C 1 {2,D}, {3,S} -2 S 0 {1,D} -3 *5 R 0 {1,S} - -SJ -1 *3 Ss 1 {2,S} -2 *5 R 0 {1,S} - -SsJ -1 *3 Ss 1 {2,S} -2 *5 R 0 {1,S} - -SsJ-Cs -1 *3 Ss 1 {2,S} -2 *5 Cs 0 {1,S} - -SsJ-Ss -1 *3 Ss 1 {2,S} -2 *5 Ss 0 {1,S} - -SsJ-OneDe -1 *3 Ss 1 {2,S} -2 *5 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-Cd -1 *3 Ss 1 {2,S} -2 *5 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -// 3-membered rings have to dealt with seperately as *4 = *5 - -CJ-3 -Union {CsJ-3, CdsJ-3, CdsJ-3-2} - -CsJ-3 -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-Cs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-CsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-3-Cd -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-CdOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-3-Ss -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-SsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ-3 -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-3-H -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-3-Cs -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-3-Cd -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-3-Ss -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Ss 0 {1,S} - -CdsJ-3-2 -1 *3 C 1 {2,D}, {3,S} -2 R 0 {1,D} -3 *4 R 0 {1,S} - -CdsJ_C-3-2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 R 0 {1,S} - -CdsJ_C-3-Cs2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Cs 0 {1,S} - -CdsJ_C-3-Cd2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ_C-3-Ss2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Ss 0 {1,S} - -CdsJ_S-3-2 -1 *3 C 1 {2,D}, {3,S} -2 S 0 {1,D} -3 *4 R 0 {1,S} - -SJ-3 -1 *3 Ss 1 {2,S} -2 *4 R 0 {1,S} - -SsJ-3 -1 *3 Ss 1 {2,S} -2 *4 R 0 {1,S} - -SsJ-3-Cs -1 *3 Ss 1 {2,S} -2 *4 Cs 0 {1,S} - -SsJ-3-Ss -1 *3 Ss 1 {2,S} -2 *4 Ss 0 {1,S} - -SsJ-3-OneDe -1 *3 Ss 1 {2,S} -2 *4 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-3-Cd -1 *3 Ss 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -// -// R-H Tree -// - -S-RR -1 *1 Ss 0 {2,S} {3,S} -2 *2 R 0 {1,S} -3 *4 R 0 {1,S} - -S-HC -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 *4 C 0 {1,S} - -S-CC -1 *1 Ss 0 {2,S} {3,S} -2 *2 C 0 {1,S} -3 *4 C 0 {1,S} - -S-CsC -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} -3 *4 C 0 {1,S} - -S-Cs(NonDe)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} - -S-Cs(HHH)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -S-Cs(CsHH)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(CsCsH)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 H 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(CsCsCs)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(De)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 R 0 {2,S} -6 R 0 {2,S} - -S-Cs(OneDe)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} - -S-Cs(CdHH)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 Cd 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -S-Cs(CdCsH)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 Cd 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -S-Cs(CdCsCs)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 Cd 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(CtHH)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 Ct 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -S-Cs(CtCsH)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 Ct 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -S-Cs(CtCsCs)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 Ct 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(TwoDe)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {H,Cs} 0 {2,S} - -S-Cs(ThreeDe)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *4 C 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -S-CdC -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} -3 *4 C 0 {1,S} -4 C 0 {2,D} - -S-Cds(H)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 *4 C 0 {1,S} -4 C 0 {2,D} -5 H 0 {2,S} - -S-Cds(Cs)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cd 0 {1,S} {4,D} {5,S} -3 *4 C 0 {1,S} -4 C 0 {2,D} -5 Cs 0 {2,S} - -S-CtC -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ct 0 {1,S} -3 *4 C 0 {1,S} - -S-CbC -1 *1 Ss 0 {2,S} {3,S} -2 *2 Cb 0 {1,S} -3 *4 C 0 {1,S} - -S-CSs -1 *1 Ss 0 {2,S} {3,S} -2 *4 S 0 {1,S} -3 *2 C 0 {1,S} - -S-CsSs -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Cs 0 {1,S} - -S-Cs(HHH)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsHH)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsH)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsCs)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-CdSs -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-Cds(H)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} - -S-Cds(Cs)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} - -S-CtSs -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Ct 0 {1,S} - -S-CbSs -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Cb 0 {1,S} - -S-SC -1 *1 Ss 0 {2,S} {3,S} -2 *2 S 0 {1,S} -3 *4 C 0 {1,S} - -S-SsC -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 *4 C 0 {1,S} - -S-Ss(H)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 *4 C 0 {1,S} -4 H 0 {2,S} - -S-Ss(Cs)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 *4 C 0 {1,S} -4 Cs 0 {2,S} - -S-Ss(Ss)C -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} {4,S} -3 *4 C 0 {1,S} -4 Ss 0 {2,S} - -S-HSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 H 0 {1,S} -3 *4 Ss 0 {1,S} - -S-SsSs -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Ss 0 {1,S} - -S-Ss(H)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Ss 0 {1,S} {4,S} -4 H 0 {3,S} - -S-Ss(Cs)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *4 Ss 0 {1,S} -3 *2 Ss 0 {1,S} {4,S} -4 Cs 0 {3,S} - -S-Ss(Ss)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 *4 Ss 0 {1,S} {4,S} -4 Ss 0 {3,S} \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/rateLibrary.txt deleted file mode 100644 index b4f4d9a528..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/rateLibrary.txt +++ /dev/null @@ -1,13 +0,0 @@ - -Arrhenius_EP - -// CBS-QB3 calculations - -1 XSYJ YJ S-RR 300-1500 2.0E+12 0.0 0.00 20.0 0 0 0 0 1 A. G. Vandeputte - -2 XSR3J_S SsJ-3-Cs S-HC 300-1500 5.42E+09 1.1 0.00 42.9 0 0 0 0 1 A. G. Vandeputte -3 XSR3J_S CsJ-3-CsHH S-HC 300-1500 9.34E+10 0.6 1.00 35.0 0 0 0 0 1 A. G. Vandeputte -4 XSR3J_S CsJ-3-SsHH S-HSs 300-1500 3.04E+11 0.5 2.00 40.1 0 0 0 0 1 A. G. Vandeputte -5 XSR3J_S SsJ-3-Cs S-Cs(HHH)C 300-1500 9.65E+11 1.1 0.00 33.2 0 0 0 0 1 A. G. Vandeputte -6 XSR3J_S CsJ-3-SsHH S-Cs(HHH)Ss 300-1500 1.76E+12 0.2 0.00 34.6 0 0 0 0 1 A. G. Vandeputte -7 XSR3J_S CsJ-3-SsHH S-Ss(H)Ss 300-1500 2.65E+12 0.1 0.00 12.1 0 0 0 0 1 A. G. Vandeputte diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/reactionAdjList.txt deleted file mode 100644 index 18a7574f72..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/reactionAdjList.txt +++ /dev/null @@ -1,22 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Aäron Vandeputte 11 aug 2009 // -// // -////////////////////////////////////////////////////// - - -// f01 Intramolecular substitution on S - -XSYJ -> SY + XJ - -thermo_consistence -reverse(f24): Ring_OpeningS - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) FORM_BOND {*1,S,*3} -(3) GAIN_RADICAL {*2,1} -(4) LOSE_RADICAL {*3,1} - diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/tree.txt b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/tree.txt deleted file mode 100644 index 0b9fed682c..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_cyclization/tree.txt +++ /dev/null @@ -1,211 +0,0 @@ -//Intramolecular substitution reaction - -L1: XSYJ - L2: XSR3J - L3: XSR3J_S - L3: XSR3J_D - L2: XSR4J - L3: XSR4J_SS - L3: XSR4J_SD - L3: XSR4J_DS - L3: XSR4J_DD - L2: XSR5J - L3: XSR5J_SSS - L3: XSR5J_SSD - L3: XSR5J_SDS - L3: XSR5J_DSS - L3: XSR5J_DDS - L3: XSR5J_DSD - L3: XSR5J_SDD - L3: XSR5J_DDD - L2: XSR6J - L2: XSR7J - -// Radical tree Radical - First group is ring group + Second and Third are the other two groups neighboring the radical centre -// Importance of defining the group that is part of the ring is not yet clear - -L1: YJ - L2: CJ - L3: CsJ - L4: CsJ-Cs - L5: CsJ-CsHH - L5: CsJ-CsCsH - L5: CsJ-CsCsCs - L5: CsJ-CsSsH - L5: CsJ-CsSsSs - L5: CsJ-CsCsSs - L5: CsJ-CsOneDe - L6: CsJ-CsOneDeH - L7: CsJ-CsCdH - L6: CsJ-CsOneDeCs - L7: CsJ-CsCdCs - L6: CsJ-CsOneDeSs - L7: CsJ-CsCdSs - L5: CsJ-CsTwoDe - L4: CsJ-Cd - L5: CsJ-CdHH - L5: CsJ-CdCsH - L5: CsJ-CdCsCs - L5: CsJ-CdSsH - L5: CsJ-CdSsSs - L5: CsJ-CdCsSs - L5: CsJ-CdOneDe - L6: CsJ-CdOneDeH - L7: CsJ-CdCdH - L6: CsJ-CdOneDeCs - L7: CsJ-CdCdCs - L6: CsJ-CdOneDeSs - L7: CsJ-CdCdSs - L5: CsJ-CdTwoDe - L4: CsJ-Ss - L5: CsJ-SsHH - L5: CsJ-SsCsH - L5: CsJ-SsCsCs - L5: CsJ-SsSsH - L5: CsJ-SsSsSs - L5: CsJ-SsCsSs - L5: CsJ-SsOneDe - L6: CsJ-SsOneDeH - L7: CsJ-SsCdH - L6: CsJ-SsOneDeCs - L7: CsJ-SsCdCs - L6: CsJ-SsOneDeSs - L7: CsJ-SsCdSs - L3: CdsJ - L4: CdsJ-H - L4: CdsJ-Cs - L4: CdsJ-Cd - L4: CdsJ-Ss - -// -2 : Double bound not part of ring - - L3: CdsJ-2 - L4: CdsJ_C-2 - L5: CdsJ_C-Cs2 - L5: CdsJ_C-Cd2 - L5: CdsJ_C-Ss2 - L4: CdsJ_S-2 - - - L2: SJ - L3: SsJ - L4: SsJ-Cs - L4: SsJ-Ss - L4: SsJ-OneDe - L5: SsJ-Cd - - - L2: CJ-3 - L3: CsJ-3 - L4: CsJ-3-Cs - L5: CsJ-3-CsHH - L5: CsJ-3-CsCsH - L5: CsJ-3-CsCsCs - L5: CsJ-3-CsSsH - L5: CsJ-3-CsSsSs - L5: CsJ-3-CsCsSs - L5: CsJ-3-CsOneDe - L6: CsJ-3-CsOneDeH - L7: CsJ-3-CsCdH - L6: CsJ-3-CsOneDeCs - L7: CsJ-3-CsCdCs - L6: CsJ-3-CsOneDeSs - L7: CsJ-3-CsCdSs - L5: CsJ-3-CsTwoDe - L4: CsJ-3-Cd - L5: CsJ-3-CdHH - L5: CsJ-3-CdCsH - L5: CsJ-3-CdCsCs - L5: CsJ-3-CdSsH - L5: CsJ-3-CdSsSs - L5: CsJ-3-CdCsSs - L5: CsJ-3-CdOneDe - L6: CsJ-3-CdOneDeH - L7: CsJ-3-CdCdH - L6: CsJ-3-CdOneDeCs - L7: CsJ-3-CdCdCs - L6: CsJ-3-CdOneDeSs - L7: CsJ-3-CdCdSs - L5: CsJ-3-CdTwoDe - L4: CsJ-3-Ss - L5: CsJ-3-SsHH - L5: CsJ-3-SsCsH - L5: CsJ-3-SsCsCs - L5: CsJ-3-SsSsH - L5: CsJ-3-SsSsSs - L5: CsJ-3-SsCsSs - L5: CsJ-3-SsOneDe - L6: CsJ-3-SsOneDeH - L7: CsJ-3-SsCdH - L6: CsJ-3-SsOneDeCs - L7: CsJ-3-SsCdCs - L6: CsJ-3-SsOneDeSs - L7: CsJ-3-SsCdSs - L3: CdsJ-3 - L4: CdsJ-3-H - L4: CdsJ-3-Cs - L4: CdsJ-3-Cd - L4: CdsJ-3-Ss - -// -2 : Double bound not part of ring - - L3: CdsJ-3-2 - L4: CdsJ_C-3-2 - L5: CdsJ_C-3-Cs2 - L5: CdsJ_C-3-Cd2 - L5: CdsJ_C-3-Ss2 - L4: CdsJ_S-3-2 - L2: SJ-3 - L3: SsJ-3 - L4: SsJ-3-Cs - L4: SsJ-3-Ss - L4: SsJ-3-OneDe - L5: SsJ-3-Cd - - - -L1: S-RR - L2: S-HC - L2: S-CC - L3: S-CsC - L4:S-Cs(NonDe)C - L5: S-Cs(HHH)C - L5: S-Cs(CsHH)C - L5: S-Cs(CsCsH)C - L5: S-Cs(CsCsCs)C - L4: S-Cs(De)C - L5: S-Cs(OneDe)C - L6: S-Cs(CdHH)C - L6: S-Cs(CdCsH)C - L6: S-Cs(CdCsCs)C - L6: S-Cs(CtHH)C - L6: S-Cs(CtCsH)C - L6: S-Cs(CtCsCs)C - L5: S-Cs(TwoDe)C - L5: S-Cs(ThreeDe)C - L3: S-CdC - L4: S-Cds(H)C - L4: S-Cds(Cs)C - L3: S-CtC - L3: S-CbC - L2: S-CSs - L3: S-CsSs - L4: S-Cs(HHH)Ss - L4: S-Cs(CsHH)Ss - L4: S-Cs(CsCsH)Ss - L4: S-Cs(CsCsCs)Ss - L3: S-CdSs - L4: S-Cds(H)Ss - L4: S-Cds(Cs)Ss - L3: S-CtSs - L3: S-CbSs - L2: S-SC - L3: S-SsC - L4: S-Ss(H)C - L4: S-Ss(Cs)C - L4: S-Ss(Ss)C - L2: S-HSs - L2: S-SsSs - L3: S-Ss(H)Ss - L3: S-Ss(Cs)Ss - L3: S-Ss(Ss)Ss diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/CVS/Entries b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/CVS/Entries deleted file mode 100644 index 04c3fd041e..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/CVS/Entries +++ /dev/null @@ -1,5 +0,0 @@ -/comments.txt/1.1/Wed Aug 5 18:25:54 2009// -/dictionary.txt/1.2/Tue Jun 9 16:08:43 2009// -/rateLibrary.txt/1.3/Wed Aug 5 21:29:37 2009// -/reactionAdjList.txt/1.1/Mon Jun 1 19:01:21 2009// -/tree.txt/1.2/Fri Jun 12 21:36:57 2009// diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/CVS/Repository b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/CVS/Repository deleted file mode 100644 index a0b71d758d..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/kinetics/intra_H_migration diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/CVS/Root b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/dictionary.txt b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/dictionary.txt deleted file mode 100644 index 97c5484f42..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/dictionary.txt +++ /dev/null @@ -1,1181 +0,0 @@ -XSYJ -Union {XSR3J, XSR4J, XSR5J, XSR6J, XSR7J} - -XSR3J -1 *3 {R!H} 1 {2,{S,D}} -2 *2 {R!H} 0 {1,{S,D}} {3,S} -3 *1 Ss 0 {2,S} {4,S} -4 R 0 {3,S} - -XSR3J_S -1 *3 {R!H} 1 {2,S} -2 *2 {R!H} 0 {1,S} {3,S} -3 *1 Ss 0 {2,S} {4,S} -4 R 0 {3,S} - -XSR3J_D -1 *3 {R!H} 1 {2,D} -2 *2 {R!H} 0 {1,D} {3,S} -3 *1 Ss 0 {2,S} {4,S} -4 R 0 {3,S} - -XSR4J -1 *3 {R!H} 1 {2,{S,D}} -2 *4 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *2 {R!H} 0 {2,{S,D}}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 R 0 {4,S} - -XSR4J_SS -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 R 0 {4,S} - -XSR4J_SD -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,S} -3 *2 {R!H} 0 {2,S}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 R 0 {4,S} - -XSR4J_DS -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,D} -3 *2 {R!H} 0 {2,D}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 R 0 {4,S} - -XSR4J_DD -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,D} -3 *2 {R!H} 0 {2,D}, {4,S} -4 *1 Ss 0 {3,S} {5,S} -5 R 0 {4,S} - -XSR5J -1 *3 {R!H} 1 {2,{S,D}} -2 *4 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *5 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *2 {R!H} 0 {3,{S,D}}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 R 0 {5,S} - -XSR5J_SSS -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 R 0 {5,S} - -XSR5J_SSD -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 R 0 {5,S} - -XSR5J_SDS -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,D} -3 *5 {R!H} 0 {2,D}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 R 0 {5,S} - -XSR5J_DSS -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,D} -4 *2 {R!H} 0 {3,D}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 R 0 {5,S} - -XSR5J_SDD -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,D} -3 *5 {R!H} 0 {2,D}, {4,S} -4 *2 {R!H} 0 {3,S}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 R 0 {5,S} - -XSR5J_DSD -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,S} -3 *5 {R!H} 0 {2,S}, {4,D} -4 *2 {R!H} 0 {3,D}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 R 0 {5,S} - -XSR5J_DDS -1 *3 {R!H} 1 {2,S} -2 *4 {R!H} 0 {1,S}, {3,D} -3 *5 {R!H} 0 {2,D}, {4,D} -4 *2 {R!H} 0 {3,D}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 R 0 {5,S} - -XSR5J_DDD -1 *3 {R!H} 1 {2,D} -2 *4 {R!H} 0 {1,D}, {3,D} -3 *5 {R!H} 0 {2,D}, {4,D} -4 *2 {R!H} 0 {3,D}, {5,S} -5 *1 Ss 0 {4,S} {6,S} -6 R 0 {5,S} - -XSR6J -1 *3 {R!H} 1 {2,{S,D}} -2 *4 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *5 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *6 {R!H} 0 {3,{S,D}}, {5,{S,D}} -5 *2 {R!H} 0 {4,{S,D}}, {6,S} -6 *1 Ss 0 {5,S} {7,S} -7 R 0 {6,S} - -XSR7J -1 *3 {R!H} 1 {2,{S,D}} -2 *4 {R!H} 0 {1,{S,D}}, {3,{S,D}} -3 *5 {R!H} 0 {2,{S,D}}, {4,{S,D}} -4 *6 {R!H} 0 {3,{S,D}}, {5,{S,D}} -5 *7 {R!H} 0 {4,{S,D}}, {6,{S,D}} -6 *2 {R!H} 0 {5,{S,D}}, {7,S} -7 *1 Ss 0 {6,S} {8,S} -8 R 0 {7,S} - -YJ -union {CJ, SJ, CJ-3, SJ-3} - -// Need to define CJ-3 en SJ-3 because ring is to small to define *2 and *4 which are equal - -// -// RJ Tree for 4 and more membered rings -// - -CJ -Union {CsJ, CdsJ, CdsJ-2} - -CsJ -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-Cs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-CsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-CsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-Cd -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CdSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-CdOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-CdOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-CdOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-Ss -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-SsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-SsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-SsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-SsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-SsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *4 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-H -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-Cs -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-Cd -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-Ss -1 *3 C 1 {2,D}, {3,S} -2 *4 C 0 {1,D} -3 Ss 0 {1,S} - -CdsJ-2 -1 *3 C 1 {2,D}, {3,S} -2 R 0 {1,D} -3 *4 R 0 {1,S} - -CdsJ_C-2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 R 0 {1,S} - -CdsJ_C-Cs2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Cs 0 {1,S} - -CdsJ_C-Cd2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ_C-Ss2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *4 Ss 0 {1,S} - -CdsJ_S-2 -1 *3 C 1 {2,D}, {3,S} -2 S 0 {1,D} -3 *4 R 0 {1,S} - -SJ -1 *3 Ss 1 {2,S} -2 *4 R 0 {1,S} - -SsJ -1 *3 Ss 1 {2,S} -2 *4 R 0 {1,S} - -SsJ-Cs -1 *3 Ss 1 {2,S} -2 *4 Cs 0 {1,S} - -SsJ-Ss -1 *3 Ss 1 {2,S} -2 *4 Ss 0 {1,S} - -SsJ-OneDe -1 *3 Ss 1 {2,S} -2 *4 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-Cd -1 *3 Ss 1 {2,S} -2 *4 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -// 3-membered rings have to dealt with seperately as *2 = *4 - -CJ-3 -Union {CsJ-3, CdsJ-3, CdsJ-3-2 } - -CsJ-3 -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-Cs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-CsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-CsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cs 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-3-Cd -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-CdHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-CdOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-CdOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-CdOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-CdTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Cd 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CsJ-3-Ss -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-3-SsHH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCsCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsSsH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsSsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsCsSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsOneDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {H,Cs,Os,Ss} 0 {1,S} - -CsJ-3-SsOneDeH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsCdH -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -CsJ-3-SsOneDeCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsCdCs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Cs 0 {1,S} - -CsJ-3-SsOneDeSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsCdSs -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} -4 Ss 0 {1,S} - -CsJ-3-SsTwoDe -1 *3 C 1 {2,S}, {3,S}, {4,S} -2 *2 Ss 0 {1,S} -3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {1,S} - -CdsJ-3 -1 *3 C 1 {2,D}, {3,S} -2 *2 C 0 {1,D} -3 R 0 {1,S} - -CdsJ-3-H -1 *3 C 1 {2,D}, {3,S} -2 *2 C 0 {1,D} -3 H 0 {1,S} - -CdsJ-3-Cs -1 *3 C 1 {2,D}, {3,S} -2 *2 C 0 {1,D} -3 Cs 0 {1,S} - -CdsJ-3-Cd -1 *3 C 1 {2,D}, {3,S} -2 *2 C 0 {1,D} -3 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ-3-Ss -1 *3 C 1 {2,D}, {3,S} -2 *2 C 0 {1,D} -3 Ss 0 {1,S} - -CdsJ-3-2 -1 *3 C 1 {2,D}, {3,S} -2 R 0 {1,D} -3 *2 R 0 {1,S} - -CdsJ_C-3-2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *2 R 0 {1,S} - -CdsJ_C-3-Cs2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *2 Cs 0 {1,S} - -CdsJ_C-3-Cd2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *2 Cd 0 {1,S}, {4,D} -4 C 0 {3,D} - -CdsJ_C-3-Ss2 -1 *3 C 1 {2,D}, {3,S} -2 C 0 {1,D} -3 *2 Ss 0 {1,S} - -CdsJ_S-3-2 -1 *3 C 1 {2,D}, {3,S} -2 S 0 {1,D} -3 *2 R 0 {1,S} - -SJ-3 -1 *3 Ss 1 {2,S} -2 *2 R 0 {1,S} - -SsJ-3 -1 *3 Ss 1 {2,S} -2 *2 R 0 {1,S} - -SsJ-3-Cs -1 *3 Ss 1 {2,S} -2 *2 Cs 0 {1,S} - -SsJ-3-Ss -1 *3 Ss 1 {2,S} -2 *2 Ss 0 {1,S} - -SsJ-3-OneDe -1 *3 Ss 1 {2,S} -2 *2 {Cd,Ct,Cb,CO} 0 {1,S} - -SsJ-3-Cd -1 *3 Ss 1 {2,S} -2 *2 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -// -// R-H Tree -// - -S-RR -1 *1 Ss 0 {2,S} {3,S} -2 R 0 {1,S} -3 *2 R 0 {1,S} - -S-HC -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 C 0 {1,S} - -S-CC -1 *1 Ss 0 {2,S} {3,S} -2 C 0 {1,S} -3 *2 C 0 {1,S} - -S-CsC -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} -3 *2 C 0 {1,S} - -S-Cs(NonDe)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 {H,Cs} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} - -S-Cs(HHH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -S-Cs(CsHH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(CsCsH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 H 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(CsCsCs)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(De)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 R 0 {2,S} -6 R 0 {2,S} - -S-Cs(OneDe)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {H,Cs} 0 {2,S} -6 {H,Cs} 0 {2,S} - -S-Cs(CdHH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cd 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -S-Cs(CdCsH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cd 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -S-Cs(CdCsCs)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cd 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(CtHH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cd 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -S-Cs(CtCsH)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cd 0 {2,S} -5 Cs 0 {2,S} -6 H 0 {2,S} - -S-Cs(CtCsCs)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 Cd 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -S-Cs(TwoDe)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {H,Cs} 0 {2,S} - -S-Cs(ThreeDe)C -1 *1 Ss 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 *2 C 0 {1,S} -4 {Cd,Ct,Cb,CO} 0 {2,S} -5 {Cd,Ct,Cb,CO} 0 {2,S} -6 {Cd,Ct,Cb,CO} 0 {2,S} - -S-CdC -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} -3 *2 C 0 {1,S} -4 C 0 {2,D} - -S-Cds(H)C -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 C 0 {1,S} -4 C 0 {2,D} -5 H 0 {2,S} - -S-Cds(Cs)C -1 *1 Ss 0 {2,S} {3,S} -2 Cd 0 {1,S} {4,D} {5,S} -3 *2 C 0 {1,S} -4 C 0 {2,D} -5 Cs 0 {2,S} - -S-CtC -1 *1 Ss 0 {2,S} {3,S} -2 Ct 0 {1,S} -3 *2 C 0 {1,S} - -S-CbC -1 *1 Ss 0 {2,S} {3,S} -2 Cb 0 {1,S} -3 *2 C 0 {1,S} - -S-CSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 S 0 {1,S} -3 C 0 {1,S} - -S-CsSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} - -S-Cs(HHH)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 H 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsHH)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 H 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsH)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 H 0 {3,S} - -S-Cs(CsCsCs)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cs 0 {1,S} {4,S} {5,S} {6,S} -4 Cs 0 {3,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} - -S-CdSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} {4,D} -4 C 0 {3,D} - -S-Cds(H)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 H 0 {3,S} - -S-Cds(Cs)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cd 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 Cs 0 {3,S} - -S-CtSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Ct 0 {1,S} - -S-CbSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Cb 0 {1,S} - -S-SC -1 *1 Ss 0 {2,S} {3,S} -2 S 0 {1,S} -3 *2 C 0 {1,S} - -S-SsC -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} -3 *2 C 0 {1,S} - -S-Ss(H)C -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 C 0 {1,S} -4 H 0 {2,S} - -S-Ss(Cs)C -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 C 0 {1,S} -4 Cs 0 {2,S} - -S-Ss(Ss)C -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} {4,S} -3 *2 C 0 {1,S} -4 Ss 0 {2,S} - -S-HSs -1 *1 Ss 0 {2,S} {3,S} -2 H 0 {1,S} -3 *2 Ss 0 {1,S} - -S-SsSs -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Ss 0 {1,S} - -S-Ss(H)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Ss 0 {1,S} {4,S} -4 H 0 {3,S} - -S-Ss(Cs)Ss -1 *1 Ss 0 {2,S} {3,S} -2 *2 Ss 0 {1,S} -3 Ss 0 {1,S} {4,S} -4 Cs 0 {3,S} - -S-Ss(Ss)Ss -1 *1 Ss 0 {2,S} {3,S} -2 Ss 0 {1,S} -3 *2 Ss 0 {1,S} {4,S} -4 Ss 0 {3,S} diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/rateLibrary.txt b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/rateLibrary.txt deleted file mode 100644 index a20b10fb16..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/rateLibrary.txt +++ /dev/null @@ -1,9 +0,0 @@ - -Arrhenius_EP - -// CBS-QB3 calculations - -1 XSYJ YJ S-RR 300-1500 1.00E+12 0.0 0.00 20.0 0 0 0 0 1 A. G. Vandeputte - -2 XSR3J_S CsJ-3-SsHH S-Cs(HHH)Ss 300-1500 3.29E+11 0.211 0.00 31.9 0 0 0 0 1 A. G. Vandeputte -3 XSR4J_SS CsJ-CsHH S-HSs 300-1500 2.88E+11 0.108 0.00 21.9 0 0 0 0 1 A. G. Vandeputte diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/reactionAdjList.txt b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/reactionAdjList.txt deleted file mode 100644 index 41fe2d7a91..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/reactionAdjList.txt +++ /dev/null @@ -1,24 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Aäron Vandeputte 11 aug 2009 // -// // -////////////////////////////////////////////////////// - - -// f01 Intramolecular substitution on S - -XSYJ -> XSYJ - -// thermo_consistence - -forward -reverse(f25): cleavagebyrad - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) FORM_BOND {*1,S,*3} -(3) GAIN_RADICAL {*2,1} -(4) LOSE_RADICAL {*3,1} - diff --git a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/tree.txt b/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/tree.txt deleted file mode 100644 index 03ed76e30d..0000000000 --- a/output/RMG_database_sulfur/kinetics_groups/intra_substitutionS_isomerization/tree.txt +++ /dev/null @@ -1,209 +0,0 @@ -//Intramolecular substitution reaction - -L1: XSYJ - L2: XSR3J - L3: XSR3J_S - L3: XSR3J_D - L2: XSR4J - L3: XSR4J_SS - L3: XSR4J_SD - L3: XSR4J_DS - L3: XSR4J_DD - L2: XSR5J - L3: XSR5J_SSS - L3: XSR5J_SSD - L3: XSR5J_SDS - L3: XSR5J_DSS - L3: XSR5J_DDS - L3: XSR5J_DSD - L3: XSR5J_SDD - L3: XSR5J_DDD - L2: XSR6J - L2: XSR7J - -// Radical tree Radical - First group is ring group + Second and Third are the other two groups neighboring the radical centre -// Importance of defining the group that is part of the ring is not yet clear - -L1: YJ - L2: CJ - L3: CsJ - L4: CsJ-Cs - L5: CsJ-CsHH - L5: CsJ-CsCsH - L5: CsJ-CsCsCs - L5: CsJ-CsSsH - L5: CsJ-CsSsSs - L5: CsJ-CsCsSs - L5: CsJ-CsOneDe - L6: CsJ-CsOneDeH - L7: CsJ-CsCdH - L6: CsJ-CsOneDeCs - L7: CsJ-CsCdCs - L6: CsJ-CsOneDeSs - L7: CsJ-CsCdSs - L5: CsJ-CsTwoDe - L4: CsJ-Cd - L5: CsJ-CdHH - L5: CsJ-CdCsH - L5: CsJ-CdCsCs - L5: CsJ-CdSsH - L5: CsJ-CdSsSs - L5: CsJ-CdCsSs - L5: CsJ-CdOneDe - L6: CsJ-CdOneDeH - L7: CsJ-CdCdH - L6: CsJ-CdOneDeCs - L7: CsJ-CdCdCs - L6: CsJ-CdOneDeSs - L7: CsJ-CdCdSs - L5: CsJ-CdTwoDe - L4: CsJ-Ss - L5: CsJ-SsHH - L5: CsJ-SsCsH - L5: CsJ-SsCsCs - L5: CsJ-SsSsH - L5: CsJ-SsSsSs - L5: CsJ-SsCsSs - L5: CsJ-SsOneDe - L6: CsJ-SsOneDeH - L7: CsJ-SsCdH - L6: CsJ-SsOneDeCs - L7: CsJ-SsCdCs - L6: CsJ-SsOneDeSs - L7: CsJ-SsCdSs - L3: CdsJ - L4: CdsJ-H - L4: CdsJ-Cs - L4: CdsJ-Cd - L4: CdsJ-Ss - -// -2 : Double bound not part of ring - - L3: CdsJ-2 - L4: CdsJ_C-2 - L5: CdsJ_C-Cs2 - L5: CdsJ_C-Cd2 - L5: CdsJ_C-Ss2 - L4: CdsJ_S-2 - L2: SJ - L3: SsJ - L4: SsJ-Cs - L4: SsJ-Ss - L4: SsJ-OneDe - L5: SsJ-Cd - - - L2: CJ-3 - L3: CsJ-3 - L4: CsJ-3-Cs - L5: CsJ-3-CsHH - L5: CsJ-3-CsCsH - L5: CsJ-3-CsCsCs - L5: CsJ-3-CsSsH - L5: CsJ-3-CsSsSs - L5: CsJ-3-CsCsSs - L5: CsJ-3-CsOneDe - L6: CsJ-3-CsOneDeH - L7: CsJ-3-CsCdH - L6: CsJ-3-CsOneDeCs - L7: CsJ-3-CsCdCs - L6: CsJ-3-CsOneDeSs - L7: CsJ-3-CsCdSs - L5: CsJ-3-CsTwoDe - L4: CsJ-3-Cd - L5: CsJ-3-CdHH - L5: CsJ-3-CdCsH - L5: CsJ-3-CdCsCs - L5: CsJ-3-CdSsH - L5: CsJ-3-CdSsSs - L5: CsJ-3-CdCsSs - L5: CsJ-3-CdOneDe - L6: CsJ-3-CdOneDeH - L7: CsJ-3-CdCdH - L6: CsJ-3-CdOneDeCs - L7: CsJ-3-CdCdCs - L6: CsJ-3-CdOneDeSs - L7: CsJ-3-CdCdSs - L5: CsJ-3-CdTwoDe - L4: CsJ-3-Ss - L5: CsJ-3-SsHH - L5: CsJ-3-SsCsH - L5: CsJ-3-SsCsCs - L5: CsJ-3-SsSsH - L5: CsJ-3-SsSsSs - L5: CsJ-3-SsCsSs - L5: CsJ-3-SsOneDe - L6: CsJ-3-SsOneDeH - L7: CsJ-3-SsCdH - L6: CsJ-3-SsOneDeCs - L7: CsJ-3-SsCdCs - L6: CsJ-3-SsOneDeSs - L7: CsJ-3-SsCdSs - L3: CdsJ-3 - L4: CdsJ-3-H - L4: CdsJ-3-Cs - L4: CdsJ-3-Cd - L4: CdsJ-3-Ss - -// -2 : Double bound not part of ring - - L3: CdsJ-3-2 - L4: CdsJ_C-3-2 - L5: CdsJ_C-3-Cs2 - L5: CdsJ_C-3-Cd2 - L5: CdsJ_C-3-Ss2 - L4: CdsJ_S-3-2 - L2: SJ-3 - L3: SsJ-3 - L4: SsJ-3-Cs - L4: SsJ-3-Ss - L4: SsJ-3-OneDe - L5: SsJ-3-Cd - - - -L1: S-RR - L2: S-HC - L2: S-CC - L3: S-CsC - L4:S-Cs(NonDe)C - L5: S-Cs(HHH)C - L5: S-Cs(CsHH)C - L5: S-Cs(CsCsH)C - L5: S-Cs(CsCsCs)C - L4: S-Cs(De)C - L5: S-Cs(OneDe)C - L6: S-Cs(CdHH)C - L6: S-Cs(CdCsH)C - L6: S-Cs(CdCsCs)C - L6: S-Cs(CtHH)C - L6: S-Cs(CtCsH)C - L6: S-Cs(CtCsCs)C - L5: S-Cs(TwoDe)C - L5: S-Cs(ThreeDe)C - L3: S-CdC - L4: S-Cds(H)C - L4: S-Cds(Cs)C - L3: S-CtC - L3: S-CbC - L2: S-CSs - L3: S-CsSs - L4: S-Cs(HHH)Ss - L4: S-Cs(CsHH)Ss - L4: S-Cs(CsCsH)Ss - L4: S-Cs(CsCsCs)Ss - L3: S-CdSs - L4: S-Cds(H)Ss - L4: S-Cds(Cs)Ss - L3: S-CtSs - L3: S-CbSs - L2: S-SC - L3: S-SsC - L4: S-Ss(H)C - L4: S-Ss(Cs)C - L4: S-Ss(Ss)C - L2: S-HSs - L2: S-SsSs - L3: S-Ss(H)Ss - L3: S-Ss(Cs)Ss - L3: S-Ss(Ss)Ss diff --git a/output/RMG_database_sulfur/kinetics_libraries/DMDS/3rdBodyReactions.txt b/output/RMG_database_sulfur/kinetics_libraries/DMDS/3rdBodyReactions.txt deleted file mode 100644 index 0932457e2c..0000000000 --- a/output/RMG_database_sulfur/kinetics_libraries/DMDS/3rdBodyReactions.txt +++ /dev/null @@ -1,11 +0,0 @@ -// small molecule oxidation library, third body reaction file, version 2, JS, August 6, 2003 -// originally from Leeds methane oxidation mechanism v1.5 -// http://www.chem.leeds.ac.uk/Combustion/Combustion.html - -Unit: -A: mol/cm3/s -E: kJ/mol - -Reactions: -// HXD13 + M = C2H5 + C4H5 + M 1.54E15 0.00 12.56 *1.2 0 0 -//N2/0.4/ O2/0.4/ \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_libraries/DMDS/lindemannReactions.txt b/output/RMG_database_sulfur/kinetics_libraries/DMDS/lindemannReactions.txt deleted file mode 100644 index 33deed8e13..0000000000 --- a/output/RMG_database_sulfur/kinetics_libraries/DMDS/lindemannReactions.txt +++ /dev/null @@ -1,5 +0,0 @@ -Unit: -A: mol/cm3/s -E: kJ/mol - -Reactions: diff --git a/output/RMG_database_sulfur/kinetics_libraries/DMDS/reactions.txt b/output/RMG_database_sulfur/kinetics_libraries/DMDS/reactions.txt deleted file mode 100644 index a4be1beb17..0000000000 --- a/output/RMG_database_sulfur/kinetics_libraries/DMDS/reactions.txt +++ /dev/null @@ -1,19 +0,0 @@ -// small molecule oxidation library, reaction file, version 2, JS, August 6, 2003 -// originally from Leeds methane oxidation mechanism v1.5 -// http://www.chem.leeds.ac.uk/Combustion/Combustion.html -// fix bug for O2 + HCO = HO2 + CO 1.52E13 0.00 -7.09, change E into positive, change A into 5.12E13 according to NIST - - -Unit: -A: mol/cm3/s -E: kcal/mol - -Reactions: - -// Ontbinding DMDS - -C2H5SJ1 = C2H5SJ2 85.5 3.04 11.62 0 0 0 -C2H4 + SH = C2H5SJ2 9960.0 2.7 -0.8 0 0 0 - -SJJ + SJJ = S2 1.6E11 1.3 -0.88 0 0 0 // x4 - diff --git a/output/RMG_database_sulfur/kinetics_libraries/DMDS/species.txt b/output/RMG_database_sulfur/kinetics_libraries/DMDS/species.txt deleted file mode 100644 index 26040c66e2..0000000000 --- a/output/RMG_database_sulfur/kinetics_libraries/DMDS/species.txt +++ /dev/null @@ -1,29 +0,0 @@ -// small molecule oxidation library, species file, version 2, JS, August 6, 2003 -// originally from Leeds methane oxidation mechanism v1.5 -// http://www.chem.leeds.ac.uk/Combustion/Combustion.html -// Note: every species except C in Leeds mechanism are included in our small molecule oxidation library -// some quesion remained: is C3H2 singlet or triplet? I made it triplet, need to be clarified. - -C2H5SJ2 -1 C 0 {2,S} -2 C 0 {1,S} {3,S} -3 S 1 {2,S} - -C2H5SJ1 -1 C 1 {2,S} -2 C 0 {1,S} {3,S} -3 S 0 {2,S} - -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - -SH -1 S 1 - -S2 -1 S 1 {2,S} -2 S 1 {1,S} - -SJJ -1 S 2 diff --git a/output/RMG_database_sulfur/kinetics_libraries/DMDS/troeReactions.txt b/output/RMG_database_sulfur/kinetics_libraries/DMDS/troeReactions.txt deleted file mode 100644 index 9c3f4707fe..0000000000 --- a/output/RMG_database_sulfur/kinetics_libraries/DMDS/troeReactions.txt +++ /dev/null @@ -1,15 +0,0 @@ -// Small molecule oxidation library, pressure-dependent reaction file, PEY, 7-Jul-04 -// Originally from Leeds methane oxidation mechanism v1.5. Includes all of -// the Leeds pressure-dependent reactions. -// The order of reactions is the same as the original model. -// http://www.chem.leeds.ac.uk/Combustion/Combustion.html - -Unit: -A: mol/cm3/s -E: kJ/mol - -Reactions: -// HXD13 (+M) = C6H9 + H (+M) 8.43E12 0.00 10.81 *1.2 0 0 -//N2/0.4/ O2/0.4/ -// LOW / 3.43E18 0.0 6.15 / -// TROE / 1 1 1 1231 / \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_libraries/thiofene/3rdBodyReactions.txt b/output/RMG_database_sulfur/kinetics_libraries/thiofene/3rdBodyReactions.txt deleted file mode 100644 index b7a3ef63cd..0000000000 --- a/output/RMG_database_sulfur/kinetics_libraries/thiofene/3rdBodyReactions.txt +++ /dev/null @@ -1,5 +0,0 @@ -Unit: -A: mol/cm3/s -E: kJ/mol - -Reactions: \ No newline at end of file diff --git a/output/RMG_database_sulfur/kinetics_libraries/thiofene/lindemannReactions.txt b/output/RMG_database_sulfur/kinetics_libraries/thiofene/lindemannReactions.txt deleted file mode 100644 index 33deed8e13..0000000000 --- a/output/RMG_database_sulfur/kinetics_libraries/thiofene/lindemannReactions.txt +++ /dev/null @@ -1,5 +0,0 @@ -Unit: -A: mol/cm3/s -E: kJ/mol - -Reactions: diff --git a/output/RMG_database_sulfur/kinetics_libraries/thiofene/reactions.txt b/output/RMG_database_sulfur/kinetics_libraries/thiofene/reactions.txt deleted file mode 100644 index 39700dc71e..0000000000 --- a/output/RMG_database_sulfur/kinetics_libraries/thiofene/reactions.txt +++ /dev/null @@ -1,14 +0,0 @@ -Unit: -A: mol/cm3/s -E: kcal/mol - -Reactions: - -CH2CHS + C2H4 = C4H7SJ(1) 231.42767270319658 3.0333333333333337 2.6333333333333333 0 0 0 -C4H7SJ(1) = C4H7SJ(2) 1.22E8 1.05 15.82 0 0 0 -C4H6S + HJ = C4H7SJ(2) 2.1017845432837462E8 1.64 1.7649777777777778 0 0 0 - -C4H6S + HJ = C4H7SJ(8) 2.4278413848823217E8 1.64 0.9596666666666666 0 0 0 -C4H6S + HJ = C4H7SJ(9) 2.1017845432837462E8 1.64 1.7649777777777778 0 0 0 -thiofene + HJ = C4H5SJ(6) 5.798530934993799E8 1.64 1.4929999999999999 0 0 0 -thiofene + HJ = C4H5SJ(7) 4.2035690865674925E8 1.64 1.7649777777777778 0 0 0 diff --git a/output/RMG_database_sulfur/kinetics_libraries/thiofene/species.txt b/output/RMG_database_sulfur/kinetics_libraries/thiofene/species.txt deleted file mode 100644 index 3107703723..0000000000 --- a/output/RMG_database_sulfur/kinetics_libraries/thiofene/species.txt +++ /dev/null @@ -1,94 +0,0 @@ -// A.G.Vandeputte - - -CH2CHS -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 S 1 {2,S} - -C2H4 -1 C 0 {2,D} -2 C 0 {1,D} - -C4H7SJ(1) -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 1 {4,S} - -C4H7SJ(2) -1 C 0 {2,S} {5,S} -2 C 1 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {1,S} - -thiofene -1 C 0 {2,D} {5,S} -2 C 0 {1,D} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,D} -5 C 0 {4,D} {1,S} - -C4H6S -1 C 0 {2,D} {5,S} -2 C 0 {1,D} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {4,S} {1,S} - -HJ -1 H 1 - -C4H5SJ(6) -1 C 0 {2,D} {5,S} {6,S} -2 C 0 {1,D} {3,S} {7,S} -3 S 0 {2,S} {4,S} -4 C 1 {3,S} {5,S} {8,S} -5 C 0 {4,S} {1,S} {9,S} {10,S} -6 H 0 {1,S} -7 H 0 {2,S} -8 H 0 {4,S} -9 H 0 {5,S} -10 H 0 {5,S} - -C4H5SJ(7) -1 C 0 {2,S} {5,D} {6,S} -2 C 1 {1,S} {3,S} {7,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} {8,S} {9,S} -5 C 0 {1,D} {4,S} {10,S} -6 H 0 {1,S} -7 H 0 {2,S} -8 H 0 {4,S} -9 H 0 {4,S} -10 H 0 {5,S} - -C4H7SJ(8) -1 C 0 {2,S} {5,S} {6,S} {12,S} -2 C 1 {1,S} {3,S} {7,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} {8,S} {9,S} -5 C 0 {4,S} {1,S} {10,S} {11,S} -6 H 0 {1,S} -7 H 0 {2,S} -8 H 0 {4,S} -9 H 0 {4,S} -10 H 0 {5,S} -11 H 0 {5,S} -12 H 0 {1,S} - -C4H7SJ(9) -1 C 1 {2,S} {5,S} {6,S} -2 C 0 {1,S} {3,S} {7,S} {12,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} {8,S} {9,S} -5 C 0 {4,S} {1,S} {10,S} {11,S} -6 H 0 {1,S} -7 H 0 {2,S} -8 H 0 {4,S} -9 H 0 {4,S} -10 H 0 {5,S} -11 H 0 {5,S} -12 H 0 {2,S} diff --git a/output/RMG_database_sulfur/kinetics_libraries/thiofene/troeReactions.txt b/output/RMG_database_sulfur/kinetics_libraries/thiofene/troeReactions.txt deleted file mode 100644 index e9dee7684f..0000000000 --- a/output/RMG_database_sulfur/kinetics_libraries/thiofene/troeReactions.txt +++ /dev/null @@ -1,5 +0,0 @@ -Unit: -A: mol/cm3/s -E: kJ/mol - -Reactions: \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/15_Dictionary.txt b/output/RMG_database_sulfur/thermo_groups/15_Dictionary.txt deleted file mode 100644 index 899b98fab5..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/15_Dictionary.txt +++ /dev/null @@ -1,51 +0,0 @@ -CsOs -1 * {Cs,Os} 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)RR) //S(QT) -1 * Cs 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)RR) //S(QQ) -1 * Cs 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -Os(Cs(CsCsCs)Cs(CsCsR)) //S(QT) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} - -Os(Cs(CsCsCs)Cs(CsCsCs)) //S(QQ) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/15_Library.txt b/output/RMG_database_sulfur/thermo_groups/15_Library.txt deleted file mode 100644 index 18bbd4912c..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/15_Library.txt +++ /dev/null @@ -1,8 +0,0 @@ -//gmagoon 2/9/09: same references as for gauche library -//values used are 1976 values (1.5 kcal/mol per 1,5 interaction in alkanes and 3.5 per 1,5 interaction in ethers) - -0 CsOs 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 -1 Cs(Cs(CsCsCs)Cs(CsCsR)RR) 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QT) one 1,5 interaction -2 Cs(Cs(CsCsCs)Cs(CsCsCs)RR) 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QQ) two 1,5 interactions -3 Os(Cs(CsCsCs)Cs(CsCsR)) 3.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QT) one 1,5 interaction -4 Os(Cs(CsCsCs)Cs(CsCsCs)) 7.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QQ) two 1,5 interactions \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/15_Tree.txt b/output/RMG_database_sulfur/thermo_groups/15_Tree.txt deleted file mode 100644 index ab1a8b7fba..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/15_Tree.txt +++ /dev/null @@ -1,5 +0,0 @@ -L0: CsOs -L1: Cs(Cs(CsCsCs)Cs(CsCsR)RR) //S(QT) - L2: Cs(Cs(CsCsCs)Cs(CsCsCs)RR) //S(QQ) -L1: Os(Cs(CsCsCs)Cs(CsCsR)) //S(QT) - L2: Os(Cs(CsCsCs)Cs(CsCsCs)) //S(QQ) \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/Abraham_Dictionary.txt b/output/RMG_database_sulfur/thermo_groups/Abraham_Dictionary.txt deleted file mode 100644 index 8b6eb2121d..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Abraham_Dictionary.txt +++ /dev/null @@ -1,178 +0,0 @@ -/////////////////////////////////////////////////////////////////////////////////////////////////////////// -// Abraham Solute Descriptor dictionary -// Defines groups for determining 5 out of 6 Abraham solute descriptors (all but hydrogen bond acidity) -// Constructed by Amrit Jalan -// May 1, 2009 -// -// Reference: Platts et al J.Chem Inf. Comput. Sci. 1999, 39, 835-845 -/////////////////////////////////////////////////////////////////////////////////////////////////////////// - -R -1 * R 0 - -C // L1 Node -1 * C 0 - -Css -1 * Cs 0 - -Cb -1 * Cb 0 - -O -1 * O 0 - -Oss -1 * Os 0 - -Cbf -1 * Cbf 0 - -Ct -1 * Ct 0 - -Cds -1 * {Cd,CO} 0 - -Od -1 * Od 0 - -CssH3 -1 * Cs 0 {2,S} {3,S} {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -// does not the definition of a fifth group because it can be H or C. Defining R!H would exclude methane. - -CssH2 -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 H 0 {1,S} -3 H 0 {1,S -4 R!H 0 {1,S} -5 R!H 0 {1,S} - -CssH -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 H 0 {1,S} -3 R!H 0 {1,S} -4 R!H 0 {1,S} -5 R!H 0 {1,S} - -Css-noH -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 R!H 0 {1,S} -3 R!H 0 {1,S} -4 R!H 0 {1,S} -5 R!H 0 {1,S} - -OssH -1 * Os 0 {2,S} -2 H 0 {1,S} - -Oss-noncyclic -1 * Os 0 {2,S} {3,S} -2 R!H 0 {1,S} -3 R!H 0 {1,S} - -Oss(CdsOd) -1 * CO 0 {2,S} {3,D} -2 Os 0 {1,S} -3 Od 0 {1,D} - -OssCds(Od)Oss -1 * CO 0 {2,S} {3,S} {4,D} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 Od 0 {1,D} - -Oss*Cds(Od)Oss -1 CO 0 {2,S} {3,S} {4,D} -2 * Os 0 {1,S} -3 Os 0 {1,S} -4 Od 0 {1,D} - -OssCds(Od*)Oss -1 CO 0 {2,S} {3,S} {4,D} -2 Os 0 {1,S} -3 Os 0 {1,S} -4 * Od 0 {1,D} - -OssCds(Od)Oss* -1 CO 0 {2,S} {3,S} {4,D} -2 Os 0 {1,S} -3 * Os 0 {1,S} -4 Od 0 {1,D} - -Cds(Od)OssH -1 * CO 0 {2,S} {4,D} -2 Os 0 {1,S} {3,S} -3 H 0 {2,S} -4 Od 0 {1,D} - -Cds(Od)Cds=CdsCds(Od) -1 * Cd 0 {2,D} {3,S} -2 Cd 0 {1,D} {4,S} -3 CO 0 {1,S} {5,D} -4 CO 0 {2,S} {6,D} -5 Od 0 {3,D} -6 Od 0 {4,D} - -Cds*(Od)Cds=CdsCds(Od) -1 Cd 0 {2,D} {3,S} -2 Cd 0 {1,D} {4,S} -3 * CO 0 {1,S} {5,D} -4 CO 0 {2,S} {6,D} -5 Od 0 {3,D} -6 Od 0 {4,D} - -Cds(Od*)Cds=CdsCds(Od) -1 Cd 0 {2,D} {3,S} -2 Cd 0 {1,D} {4,S} -3 CO 0 {1,S} {5,D} -4 CO 0 {2,S} {6,D} -5 * Od 0 {3,D} -6 Od 0 {4,D} - -Css(OssH)-Css(OssH) -1 * Cs 0 {2,S} {4,S} -2 Os 0 {1,S} {3,S} -3 H 0 {2,S} -4 Cs 0 {5,S} {1,S} -5 Os 0 {4,S} {6,S} -6 H 0 {5,S} - -Css(Oss*H)-Css(OssH) -1 Cs 0 {2,S} {4,S} -2 * Os 0 {1,S} {3,S} -3 H 0 {2,S} -4 Cs 0 {5,S} {1,S} -5 Os 0 {4,S} {6,S} -6 H 0 {5,S} - -CbCs-OsH -1 * Cs 0 {2,S} {4,S} -2 Os 0 {1,S} {3,S} -3 H 0 {2,S} -4 Cb 0 {1,S} - -CdsH2 -1 * C 0 {2,S} {3,S} {4,D} -2 H 0 {1,S} -3 H 0 {1,S} -4 R!H 0 {1,D} - -CdsH -1 * C 0 {2,S} {3,S} {4,D} -2 H 0 {1,S} -3 R!H 0 {1,S} -4 R!H 0 {1,D} - -Cds-noH -1 * C 0 {2,S} {3,S} {4,D} -2 R!H 0 {1,S} -3 R!H 0 {1,S} -4 R!H 0 {1,D} - - - diff --git a/output/RMG_database_sulfur/thermo_groups/Abraham_Library.txt b/output/RMG_database_sulfur/thermo_groups/Abraham_Library.txt deleted file mode 100644 index 1c45904e6b..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Abraham_Library.txt +++ /dev/null @@ -1,37 +0,0 @@ -/////////////////////////////////////////////////////////////////////////////////////////////////////////// -// Abraham Solute Descriptor dictionary -// Defines groups for determining 5 out of 6 Abraham solute descriptors (all but hydrogen bond acidity) -// Constructed by Amrit Jalan -// March 30, 2009 -// -// Reference: Platts et al J.Chem Inf. Comput. Sci. 1999, 39, 835-845 -/////////////////////////////////////////////////////////////////////////////////////////////////////////// - - -//# Group S B E V A - -1 CssH3 -0.075 0.007 -0.104 0.321 0 -2 CssH2 0 0 0 0.499 0 -3 CssH 0.036 0.011 0.089 0.449 0 -4 Css-noH 0.071 0.037 0.187 0.443 0 -5 OssH 0.247 0.307 0.061 0.672 0.345 -6 Oss-noncyclic 0.185 0.211 0.014 0.360 0 -7 Od 0.370 0.334 -0.041 0.495 0 -8 Oss(CdsOd) -0.124 -0.206 0.067 0.234 0 -9 OssCds(Od)Oss -0.19 -0.267 0 0 0 -10 Cds(Od)OssH -0.311 -0.308 -0.012 0.255 0.243 -12 Cds(Od)Cds=CdsCds(Od) -0.411 -0.051 0 0 0 -13 Css(OssH)-Css(OssH) 0.052 0 -0.043 0.1 0 -//14 CbCs-OssH -15 CdsH2 -0.085 0.019 -0.045 0.244 0 -16 CdsH 0.05 0.011 0.068 0.469 0 -17 Cds-noH 0.101 0 0.18 0.624 0 -18 Cbf 0.121 0.019 0.3 0.744 0 -19 Ct 0.034 0.028 0.04 0.332 0 -20 Cds*(Od)Cds=CdsCds(Od) 0 0 0 0 0 -22 Oss*Cds(Od)Oss 0 0 0 0 0 -23 OssCds(Od)Oss* 0 0 0 0 0 -26 Css(Oss*H)-Css(OssH) 0 0 0 0 0 -29 OssCds(Od*)Oss 0 0 0 0 0 -31 Cds(Od*)Cds=CdsCds(Od) 0 0 0 0 0 -32 Cb CdsH \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/Abraham_Tree.txt b/output/RMG_database_sulfur/thermo_groups/Abraham_Tree.txt deleted file mode 100644 index 89d9911282..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Abraham_Tree.txt +++ /dev/null @@ -1,75 +0,0 @@ -/////////////////////////////////////////////////////////////////////////////////////////////////////////// -// Abraham Solute Descriptor group tree using Rob Ashcraft's Group Definitions -// Defines group trees for determining 5 out of 6 Abraham solute descriptors (all but hydrogen bond acidity) -// Constructed by Amrit Jalan -// March 30, 2009 -// Reference: Platts et al J.Chem Inf. Comput. Sci. 1999, 39, 835-845 -/////////////////////////////////////////////////////////////////////////////////////////////////////////// - - -////////////////////////////////////////////////////////////////// -//Thermo Tree & Nomenclature for groups with C as the central atom -// -//C Carbon atom, bonds are not defined -//Ct Carbon atom with one triple bond and one single bond -//Css Carbon atom with four single bonds -//Cdd Carbon atom with two double bonds -//Cds Carbon atom with one double bond and two single bonds -//CO Carbon atom with doubel bond with O and 2 single bonds -//Cb Carbon atom belonging to a benzene ring -//Cbf Carbon atom belonging to a fused benzene ring -//H Hydrogen atom -//Oss Oxygen atom with two single bonds -//Od Oxygen atom with one double bond -////////////////////////////////////////////////////////////////// - -L0: R - -L1: C - - L2: Cbf - - L2: Css - L3: CssH3 - L3: CssH2 - L4: Css(OssH)-Css(OssH) - L3: CssH - L4: Css(OssH)-Css(OssH) - L3: Css-noH - L4: Css(OssH)-Css(OssH) - - L2: Cds - L3: CdsH2 - L3: CdsH - L4: Oss(CdsOd) - L5: Cds(Od)OssH - L4: Cds(Od)Cds=CdsCds(Od) - L4: Cds*(Od)Cds=CdsCds(Od) - - L3: Cds-noH - L4: Oss(CdsOd) - L5: OssCds(Od)Oss - L4: Cds(Od)OssH - L4: Cds(Od)Cds=CdsCds(Od) - L4: Cds*(Od)Cds=CdsCds(Od) - - L2: Ct - L2: Cb - -L1: O - - L2: Oss - L3: OssH // Hydroxyl group - - L3: Oss*Cds(Od)Oss // Carbonate - L3: OssCds(Od)Oss* // Carbonate - - L3: Css(Oss*H)-Css(OssH) // 1,2-diol - L3: Oss-noncyclic - - L2: Od - - L3: OssCds(Od*)Oss // Carbonate - - L3: Cds(Od*)Cds=CdsCds(Od) // Quinone - diff --git a/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/CVS/Entries b/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/CVS/Entries deleted file mode 100644 index 8e91a5a004..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/CVS/Entries +++ /dev/null @@ -1,10 +0,0 @@ -/Dictionary.txt/1.2/Wed Jul 8 17:23:20 2009// -/InChI.txt/1.1/Wed Jul 1 20:47:19 2009// -/Library.txt/1.1/Wed Jul 8 13:13:12 2009// -/adjList_output.txt/1.1/Wed Jul 1 21:04:16 2009// -/cellArrays.mat/1.1/Wed Jul 1 20:48:12 2009/-kb/ -/constructRMGPrimaryThermoLibrary_PrIMe.m/1.1/Tue Jun 30 18:33:42 2009/-kb/ -/convertNASA2RMG.m/1.1/Wed Jul 1 20:36:04 2009/-kb/ -/extractRecommendedPolys.m/1.1/Wed Jul 1 17:23:30 2009/-kb/ -/readme.txt/1.1/Tue Jul 7 17:44:50 2009// -/writePrimaryThermoLibraryFiles.m/1.1/Wed Jul 1 20:47:16 2009/-kb/ diff --git a/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/CVS/Repository b/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/CVS/Repository deleted file mode 100644 index bc2ceddca3..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/thermo/GRI-Mech3.0 diff --git a/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/CVS/Root b/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/Dictionary.txt b/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/Dictionary.txt deleted file mode 100644 index bd3eea3f3e..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/Dictionary.txt +++ /dev/null @@ -1,260 +0,0 @@ -//s00000049 -//1 Ar 0 -// RMG does not recognize Ar - -s00000208 -//1 C 0 -// InChI cannot represent a carbon atom -1 C 4 - -s00002295 -1 C 0 {2,T} -2 C 1 {1,T} - -s00002305 -1 C 0 {2,T} -2 C 0 {1,T} - -s00002431 -1 C 0 {2,D} -2 C 0 {1,D} {3,D} -3 O 0 {2,D} - -s00002432 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 O 0 {2,S} - -s00002447 -1 C 1 {2,D} -2 C 0 {1,D} - -s00002559 -1 C 0 {2,D} -2 C 0 {1,D} {3,S} -3 O 1 {2,S} - -s00002577 -1 C 0 {2,D} -2 C 0 {1,D} - -s00002656 -1 C 0 {2,S} -2 C 0 {1,S} {3,D} -3 O 0 {2,D} - -s00002703 -1 C 1 {2,S} -2 C 0 {1,S} - -s00002784 -1 C 0 {2,S} -2 C 0 {1,S} - -s00003017 -1 C 0 {2,T} -2 C 0 {1,T} {3,S} -3 O 1 {2,S} - -//s00003657 -//1 C 0 {3,T} -//2 C 0 {3,S} -//3 C 0 {1,T} {2,S} -// The GRI-Mech C3H7 species is a lumped species (1-C3H7 & 2-C3H7) - -s00003749 -1 C 0 {3,S} -2 C 0 {3,S} -3 C 0 {1,S} {2,S} - -s00009010 -//1 C 0 -// InChI cannot represent a carbon atom w/one hydrogen -1 C 3 - -s00009012 -//1 C 0 -// Not sure why InChI couldn't convert this to 1 C 2 -1 C 2S - -s00009015 -//1 C 0 -// Not sure why InChI couldn't convert this to 1 C 2 -1 C 2T - -//s00009065 -//1 C 0 {2,D} -//2 N 1 {1,D} -// No N in RMG yet - -s00009076 -1 C 0 {2,D} -2 O 0 {1,D} - -s00009089 -//1 C 0 -// Not sure why InChI couldn't convert this to 1 C 1 -1 C 1 - -s00009173 -1 C 0 {2,S} -2 O 1 {1,S} - -s00009174 -1 C 1 {2,S} -2 O 0 {1,S} - -s00009193 -1 C 0 - -s00009219 -1 C 0 {2,S} -2 O 0 {1,S} - -//s00009312 -//1 C 0 {2,T} -//2 N 0 {1,T} -// No N in RMG yet - -//s00009315 -//1 C 0 {3,T} -//2 N 0 {3,S} -//3 N 0 {1,T} {2,S} -// No N in RMG yet - -//s00009317 -//1 C 0 {2,D} {3,D} -//2 N 0 {1,D} -//3 O 0 {1,D} -// No N in RMG yet - -//s00009318 -//1 C 0 {2,T} {3,S} -//2 N 0 {1,T} -//3 O 0 {1,S} - -//s00009319 -//1 C 0 {2,T} -//2 N 0 {1,T} {3,S} -//3 O 0 {2,S} -// No N in RMG yet - -s00009325 -1 C 1 {2,D} -2 O 0 {1,D} - -//s00009352 -//1 C 0 {2,T} {3,S} -//2 N 0 {1,T} -//3 O 1 {1,S} -// No N in RMG yet - -s00009358 -//1 C 0 {2,T} -//2 O 0 {1,T} -// RMG cannot handle oxygen w/a triple bond -1 C 2T {2,D} -2 O 0 {1,D} - -s00009360 -1 C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - -s00009800 -//1 H 0 -// Not sure why InChI couldn't convert this to 1 H 1 -1 H 1 - -s00009809 -1 H 0 - -//s00009856 -//1 N 0 -// Not sure why InChI couldn't convert this to 1 N 1 -//1 N 1 -// No N in RMG yet - -s00009881 -1 O 0 - -s00009882 -1 O 0 {2,S} -2 O 0 {1,S} - -//s00009927 -//1 N 0 -// No N in RMG yet - -//s00010069 -//1 N 0 -// Not sure why InChI couldn't convert this to 1 N 2 -//1 N 2 -// No N in RMG yet - -//s00010071 -//1 N 0 {2,D} -//2 N 1 {1,D} -// No N in RMG yet - -//s00010076 -//1 N 0 {2,D} -//2 O 0 {1,D} -// No N in RMG yet - -s00010102 -//1 O 0 -// Not sure why InChI couldn't convert this to 1 O 1 -1 O 1 - -s00010103 -1 O 0 {2,S} -2 O 1 {1,S} - -//s00010227 -//1 N 0 -// InChI cannot handle nitrogen atom -//1 N 3 -// No N in RMG yet - -//s00010231 -//1 N 0 {2,T} -//2 N 0 {1,T} -// No N in RMG yet - -//s00010234 -//1 N 0 {2,D} -//2 N 0 {1,D} {3,D} -//3 O 0 {2,D} -// No N in RMG yet - -//s00010245 -//1 N 1 {2,D} -//2 O 0 {1,D} -// No N in RMG yet - -//s00010246 -//1 N 0 {2,D} {3,S} -//2 O 0 {1,D} -//3 O 1 {1,S} -// No N in RMG yet - -s00010285 -//1 O 0 -// Not sure why InChI couldn't convert this to 1 O 2 -1 O 2 - -s00010295 -1 O 0 {2,D} -2 O 0 {1,D} - -//s00010451 -//1 C 1 {2,T} -//2 N 0 {1,T} -// No N in RMG yet - -//s00010469 -//1 C 0 -// InChI cannot handle carbon atom -//1 C 4 -// This is a standard state for carbon (GR) \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/InChI.txt b/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/InChI.txt deleted file mode 100644 index 75e68266ed..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/InChI.txt +++ /dev/null @@ -1,54 +0,0 @@ -s00000049 InChI=1/Ar -s00000208 InChI=1/C -s00002295 InChI=1/C2H/c1-2/h1H -s00002305 InChI=1/C2H2/c1-2/h1-2H -s00002431 InChI=1/C2H2O/c1-2-3/h1H2 -s00002432 InChI=1/C2H2O/c1-2-3/h1,3H -s00002447 InChI=1/C2H3/c1-2/h1H,2H2 -s00002559 InChI=1/C2H3O/c1-2-3/h2H,1H2 -s00002577 InChI=1/C2H4/c1-2/h1-2H2 -s00002656 InChI=1/C2H4O/c1-2-3/h2H,1H3 -s00002703 InChI=1/C2H5/c1-2/h1H2,2H3 -s00002784 InChI=1/C2H6/c1-2/h1-2H3 -s00003017 InChI=1/C2HO/c1-2-3/h1H -s00003657 InChI=1/C3H7/c1-3-2 -s00003749 InChI=1/C3H8/c1-3-2/h3H2,1-2H3 -s00009010 InChI=1/CH/h1H -s00009012 InChI=1/CH2/h1H2 -s00009015 InChI=1/CH2/h1H2 -s00009065 InChI=1/CH2N/c1-2/h1H2 -s00009076 InChI=1/CH2O/c1-2/h1H2 -s00009089 InChI=1/CH3/h1H3 -s00009173 InChI=1/CH3O/c1-2/h1H3 -s00009174 InChI=1/CH3O/c1-2/h2H,1H2 -s00009193 InChI=1/CH4/h1H4 -s00009219 InChI=1/CH4O/c1-2/h2H,1H3 -s00009312 InChI=1/CHN/c1-2/h1H -s00009315 InChI=1/CHN2/c1-3-2/h1H -s00009317 InChI=1/CHNO/c2-1-3/h2H -s00009318 InChI=1/CHNO/c2-1-3/h3H -s00009319 InChI=1/CHNO/c1-2-3/h1H -s00009325 InChI=1/CHO/c1-2/h1H -s00009352 InChI=1/CNO/c2-1-3 -s00009358 InChI=1/CO/c1-2 -s00009360 InChI=1/CO2/c2-1-3 -s00009800 InChI=1/H -s00009809 InChI=1/H2/h1H -s00009856 InChI=1/H2N/h1H2 -s00009881 InChI=1/H2O/h1H2 -s00009882 InChI=1/H2O2/c1-2/h1-2H -s00009927 InChI=1/H3N/h1H3 -s00010069 InChI=1/HN/h1H -s00010071 InChI=1/HN2/c1-2/h1H -s00010076 InChI=1/HNO/c1-2/h1H -s00010102 InChI=1/HO/h1H -s00010103 InChI=1/HO2/c1-2/h1H -s00010227 InChI=1/N -s00010231 InChI=1/N2/c1-2 -s00010234 InChI=1/N2O/c1-2-3 -s00010245 InChI=1/NO/c1-2 -s00010246 InChI=1/NO2/c2-1-3 -s00010285 InChI=1/O -s00010295 InChI=1/O2/c1-2 -s00010451 InChI=1/CN/c1-2 -s00010469 InChI=1/C diff --git a/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/Library.txt b/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/Library.txt deleted file mode 100644 index aa903c9885..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/Library.txt +++ /dev/null @@ -1,67 +0,0 @@ -//Library.txt -// version 1.0 - -//This file contains PrIMe-recommended thermochemistry data as of 01-Jul-2009 16:47:18 -//All data was converted from NASA-7 polynomial format (unless otherwise noted) -//All uncertainty values were assigned values of 0.0 - -//Name Hf298 S298 Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 dH dS dCp Notes - -//Units -//H: kcal/mol -//S and Cp: cal/mol/K - -//s00000049 -0.00074513 36.9756 4.9675 4.9675 4.9675 4.9675 4.9675 4.9675 4.9675 0.0 0.0 0.0 Neither TRange included 298K! -s00000208 171.2713 37.7801 4.9798 4.9734 4.9715 4.9711 4.9692 4.9691 4.9742 0.0 0.0 0.0 -s00002295 135.3102 50.9787 10.0485 10.5393 10.8828 11.1958 11.9369 12.6543 14.1032 0.0 0.0 0.0 -s00002305 54.5337 48.01 10.5476 12.0136 13.0765 13.8878 15.1592 16.2292 18.1726 0.0 0.0 0.0 -s00002431 -11.4012 57.7998 12.4027 14.2004 15.6747 16.8939 18.7914 20.2463 22.5514 0.0 0.0 0.0 -s00002432 18.7002 56.2443 13.9828 15.7658 17.0442 18.0315 19.6529 21.0031 23.2596 0.0 0.0 0.0 Neither TRange included 298K! -s00002447 71.6303 55.8909 10.2397 12.0282 13.7085 15.1698 17.3442 19.0697 21.8125 0.0 0.0 0.0 -s00002559 5.997 63.9953 13.1758 15.1461 16.9608 18.5959 21.3009 23.3432 26.3517 0.0 0.0 0.0 Neither TRange included 298K! -s00002577 12.5449 52.4085 10.2892 12.5808 14.8838 16.9528 20.0509 22.4865 26.3011 0.0 0.0 0.0 -s00002656 -39.718 63.073 13.265 15.7804 18.2902 20.5798 24.1643 26.911 30.9565 0.0 0.0 0.0 -s00002703 28.3551 59.0506 12.1085 14.5881 17.0748 19.349 22.9308 25.7757 30.295 0.0 0.0 0.0 -s00002784 -20.0407 54.7727 12.5989 15.5691 18.5786 21.3595 25.8037 29.3182 34.8751 0.0 0.0 0.0 -s00003017 42.3961 58.9514 11.6001 12.9016 13.8887 14.6586 15.815 16.6647 17.9598 0.0 0.0 0.0 Neither TRange included 298K! -//s00003657 24.015 69.1684 17.1078 21.4877 25.3883 28.777 34.1116 38.1246 44.2245 0.0 0.0 0.0 Neither TRange included 298K! -s00003749 -24.8216 64.5594 17.6729 22.488 26.8645 30.7445 37.0108 41.7294 48.8319 0.0 0.0 0.0 Neither TRange included 298K! -s00009010 142.7507 43.7385 6.9722 6.9853 7.0277 7.1072 7.3738 7.7111 8.5599 0.0 0.0 0.0 -s00009012 102.7344 45.2159 8.0767 8.3274 8.6613 9.0402 9.8277 10.5707 11.8972 0.0 0.0 0.0 -s00009015 93.759 46.4583 8.3744 8.7312 9.0805 9.4126 10.0265 10.6563 11.8659 0.0 0.0 0.0 -//s00009065 59.1066 53.5877 9.1619 10.3151 11.4244 12.4654 14.2394 15.4197 17.1343 0.0 0.0 0.0 Neither TRange included 298K! -s00009076 -25.9497 52.2757 8.4703 9.3623 10.4367 11.524 13.3741 14.8153 17.0067 0.0 0.0 0.0 -s00009089 35.1048 46.3598 9.1952 9.9751 10.7531 11.5019 12.8632 14.0828 16.2904 0.0 0.0 0.0 -s00009173 3.8949 54.5988 9.0791 10.7854 12.432 13.9755 16.6291 18.5968 21.5101 0.0 0.0 0.0 Neither TRange included 298K! -s00009174 -3.4975 58.286 11.5842 12.9049 14.1314 15.2327 17.0407 18.4987 20.9633 0.0 0.0 0.0 -s00009193 -17.8292 44.5349 8.5461 9.686 11.1112 12.6016 15.2944 17.593 21.6069 0.0 0.0 0.0 -s00009219 -48.0222 57.3045 10.5521 12.2835 14.2254 16.0912 19.0716 21.4265 25.1953 0.0 0.0 0.0 -//s00009312 31.2611 48.2276 8.5853 9.3626 9.9746 10.4771 11.3044 12.0051 13.1955 0.0 0.0 0.0 -//s00009315 110.4361 59.7661 11.7637 13.0971 14.1362 14.9562 16.1623 17.0055 18.2178 0.0 0.0 0.0 Neither TRange included 298K! -//s00009317 -28.22 57.5248 11.1305 12.2284 13.218 14.0994 15.5453 16.8291 17.9957 0.0 0.0 0.0 Neither TRange included 298K! -//s00009318 -2.8221 57.8538 11.081 12.0406 12.8977 13.6585 14.9174 16.1235 17.2462 0.0 0.0 0.0 Neither TRange included 298K! -//s00009319 40.8726 57.9949 11.2117 12.586 13.7252 14.6656 16.0776 17.3086 18.37 0.0 0.0 0.0 Neither TRange included 298K! -s00009325 10.0359 53.6078 8.2736 8.7177 9.2417 9.78 10.7402 11.4859 12.5894 0.0 0.0 0.0 -//s00009352 31.4954 55.5305 9.6022 10.4921 11.2263 11.8335 12.7501 13.3444 14.0726 0.0 0.0 0.0 -s00009358 -26.4155 47.2322 6.9646 7.02 7.1241 7.2685 7.622 7.9253 8.4148 0.0 0.0 0.0 -s00009360 -94.0423 51.0868 8.8944 9.8646 10.6635 11.3172 12.2908 12.9818 13.9559 0.0 0.0 0.0 -s00009800 52.0965 27.4128 4.9675 4.9675 4.9675 4.9675 4.9675 4.9675 4.9675 0.0 0.0 0.0 -s00009809 -0.0010521 31.2263 6.8947 6.9967 7.0015 6.9912 7.0775 7.2085 7.7142 0.0 0.0 0.0 -//s00009856 45.8949 46.596 8.0942 8.3088 8.6017 8.9411 9.6723 10.4063 11.8559 0.0 0.0 0.0 -s00009881 -57.7928 45.1219 8.0289 8.1893 8.4154 8.6799 9.2564 9.8687 11.3017 0.0 0.0 0.0 -s00009882 -32.4741 56.0421 10.1468 11.0801 11.9818 12.7799 13.9821 14.9309 16.604 0.0 0.0 0.0 -//s00009927 -10.9701 46.0646 8.5315 9.2368 10.0361 10.8347 12.2487 13.5096 15.8722 0.0 0.0 0.0 -//s00010069 85.2952 43.3053 6.9764 6.9777 6.9982 7.0454 7.2242 7.4742 8.0656 0.0 0.0 0.0 -//s00010071 59.6283 53.6481 8.2915 8.7969 9.3698 9.9216 10.7975 11.4748 12.4736 0.0 0.0 0.0 -//s00010076 25.3925 52.7907 8.1018 8.4776 8.9841 9.5359 10.5665 11.4163 13.2067 0.0 0.0 0.0 -s00010102 9.4021 43.9063 7.1402 7.0675 7.0458 7.0581 7.1493 7.3353 7.8741 0.0 0.0 0.0 -s00010103 2.9984 54.7475 8.3476 8.8852 9.4641 9.9944 10.7704 11.3791 12.4826 0.0 0.0 0.0 -//s00010227 112.9602 36.6336 4.9675 4.9675 4.9675 4.9675 4.9675 4.9674 4.9718 0.0 0.0 0.0 -//s00010231 -0.00069005 45.7646 6.9485 7.0068 7.0824 7.1901 7.5026 7.8294 8.3178 0.0 0.0 0.0 Neither TRange included 298K! -//s00010234 19.4994 52.574 9.2514 10.2062 10.9663 11.5845 12.535 13.1973 14.1027 0.0 0.0 0.0 -//s00010245 21.8094 50.3605 7.1356 7.1606 7.2872 7.4644 7.8324 8.1228 8.5354 0.0 0.0 0.0 -//s00010246 8.1701 57.3913 8.8983 9.6673 10.424 11.0924 12.0469 12.6693 13.4292 0.0 0.0 0.0 -s00010285 59.547 38.4879 5.2338 5.1292 5.0777 5.0517 5.0156 5.0005 4.9819 0.0 0.0 0.0 -s00010295 -0.0010244 49.0236 7.0233 7.1986 7.4285 7.6673 8.0656 8.3363 8.7407 0.0 0.0 0.0 -//s00010451 104.8354 48.4238 6.9683 7.0374 7.1588 7.3187 7.6883 7.9923 8.4849 0.0 0.0 0.0 -//s00010469 -0.00030853 1.3692 2.0532 2.8275 3.4882 4.0233 4.7402 5.1678 5.7015 0.0 0.0 0.0 \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/adjList_output.txt b/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/adjList_output.txt deleted file mode 100644 index a036d21528..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/adjList_output.txt +++ /dev/null @@ -1,162 +0,0 @@ -s00000049 -1 Ar 0 - -s00000208 -1 C 0 - -s00002295 -1 C 0 {2,T} 2 C 1 {1,T} - -s00002305 -1 C 0 {2,T} 2 C 0 {1,T} - -s00002431 -1 C 0 {2,D} 2 C 0 {1,D} {3,D} 3 O 0 {2,D} - -s00002432 -1 C 0 {2,T} 2 C 0 {1,T} {3,S} 3 O 0 {2,S} - -s00002447 -1 C 1 {2,D} 2 C 0 {1,D} - -s00002559 -1 C 0 {2,D} 2 C 0 {1,D} {3,S} 3 O 1 {2,S} - -s00002577 -1 C 0 {2,D} 2 C 0 {1,D} - -s00002656 -1 C 0 {2,S} 2 C 0 {1,S} {3,D} 3 O 0 {2,D} - -s00002703 -1 C 1 {2,S} 2 C 0 {1,S} - -s00002784 -1 C 0 {2,S} 2 C 0 {1,S} - -s00003017 -1 C 0 {2,T} 2 C 0 {1,T} {3,S} 3 O 1 {2,S} - -s00003657 -1 C 0 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-for counter = 0:10889 - foundRecThermo = true; - %Attempt to grab the link to the PrIMe recommended thermo file - try - primeThermoObj0 = gate2primeData('get',... - {int2PrIMeID(counter,'s'),'thp00000000'}); - catch - foundRecThermo = false; - end - if (foundRecThermo && ~isempty(primeThermoObj0)) - numGSSpecies = numGSSpecies + 1; - %Determine which thermo data file is the recommended file - recThermo = getField(primeThermoObj0.node, ... - 'speciesLink.thermodynamicPolynomialsLink._primeID'); - %Grab the actual recommended thermo file - primeThermoObj = gate2primeData('get',... - {int2PrIMeID(counter,'s'),char(recThermo)}); - %Grab all thermo polynomials and their valid range - thermoPolys = getPolynomials(primeThermoObj); - %Fill a cell array with thermodynamic information for each species - GoldStarThermo{numGSSpecies,1} = int2PrIMeID(counter,'s'); - %Loop over the number of thermo polynomial sets - for numPolySets = 1:length(thermoPolys) - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+2} = ... - thermoPolys(numPolySets).Tmin.value; - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+3} = ... - thermoPolys(numPolySets).Tmin.units; - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+4} = ... - thermoPolys(numPolySets).Tmax.value; - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+5} = ... - thermoPolys(numPolySets).Tmax.units; - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+6} = ... - thermoPolys(numPolySets).poly.a1; - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+7} = ... - thermoPolys(numPolySets).poly.a2; - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+8} = ... - thermoPolys(numPolySets).poly.a3; - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+9} = ... - thermoPolys(numPolySets).poly.a4; - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+10} = ... - thermoPolys(numPolySets).poly.a5; - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+11} = ... - thermoPolys(numPolySets).poly.a6; - GoldStarThermo{numGSSpecies,(numPolySets-1)*11+12} = ... - thermoPolys(numPolySets).poly.a7; - end - %Grab the PrIMe species obj - primeSpeciesObj = gate2primeData('get',{int2PrIMeID(counter,'s')}); - GoldStarThermo{numGSSpecies,24] = getInChI(primeSpeciesObj); - end -end - -return - -function [PrIMeID] = int2PrIMeID(integer, primeIDtype) -%int2PrIMeID.m - -PrIMeID = primeIDtype; -if (integer >= 0 && integer < 1e8) - if (integer < 1e1) - PrIMeID = strcat(PrIMeID, '0000000', int2str(integer)); - elseif (integer < 1e2) - PrIMeID = strcat(PrIMeID, '000000', int2str(integer)); - elseif (integer < 1e3) - PrIMeID = strcat(PrIMeID, '00000', int2str(integer)); - elseif (integer < 1e4) - PrIMeID = strcat(PrIMeID, '0000', int2str(integer)); - elseif (integer < 1e5) - PrIMeID = strcat(PrIMeID, '000', int2str(integer)); - elseif (integer < 1e6) - PrIMeID = strcat(PrIMeID, '00', int2str(integer)); - elseif (integer < 1e7) - PrIMeID = strcat(PrIMeID, '0', int2str(integer)); - else - PrIMeID = strcat(PrIMeID, int2str(integer)); - end -else - disp('Error: value2PrIMeID.m requires an integer >= 0 and < 1e8'); -end - -return; \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/readme.txt b/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/readme.txt deleted file mode 100644 index c7b60d7b49..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/readme.txt +++ /dev/null @@ -1,79 +0,0 @@ -7-Jul-2009 (MRH) - -folder: $RMG/databases/RMG_database/thermo/GRI-Mech3.0 - -This folder contains the following files (in addition to this readme.txt file): - -- constructRMGPrimaryThermoLibrary_PrIMe.m - This is the main MATLAB function. Running this program will mine the PrIMe Warehouse species - catalog for all recommended thermodynamic polynomials (thp00000000.xml) files. Note that - the PrIMe GUI ReactionLab must be open for this program to run properly (invoked by typing - >> primekinetics at the Command Window). - -- extractRecommendedPolys.m - This function is called by the main MATLAB function. The purpose of this function is to mine - the PrIMe species catalog for all species with thp00000000.xml files and extract the - important information. This function requires no inputs and outputs a cell array, - containing the following information for each species in the PrIMe species catalog that - has recommended thermodynamic polynomials: - * PrIMe species ID - * NASA-7 formatted thermodynamic polynomials, including the lower and upper temperature bound - (w/units) - * InChI string (if available) - An example output from this function is located in the cellArrays.mat file: GoldStarThermo - -- convertNASA2RMG.m - This function is called by the main MATLAB function. The purpose of this function is to - convert the NASA-7 polynomials into RMG-readable thermodynamic data. This function - requires the cell array output from extractRecommendedPolys.m as input and outputs its - own cell array, containing the following information for each each species in the PrIMe - species catalog that has recommended thermodynamic polynomials: - * PrIMe species ID - * InChI string (if available) - * Hf298 (kcal/mol) - * S298 (cal/mol/K) - * Cp300, Cp400, Cp500, Cp600, Cp800, Cp1000, Cp1500 (cal/mol/K) - * Other information (e.g. When neither of the NASA-7 polynomial's valid temperature range - contains 298K, troublesome for computing Hf298 and S298) - An example output from this function is located in the cellArray.mat file: GoldStarRMG - -- writePrimaryThermoLibraryFiles.m - This function is called by the main MATLAB function. The purpose of this function is to - write the RMG-required Library.txt and Dictionary.txt files that must be present for - any PrimaryThermoLibrary. This function requires the cell array output from - convertNASA2RMG.m as input; there is no output, but two files (Library.txt and InChI.txt) - are written. - -- cellArrays.mat - File contains 2 cell arrays, GoldStarThermo and GoldStarRMG. These are example outputs from - the functions extractRecommendedPolys.m and convertNASA2RMG.m, respectively. - -- Library.txt - This file contains a list of species and their RMG-readable thermodynamic values. A species - is labeled with its PrIMe species ID (e.g. s00009015), as this is PrIMe's unique - species identifier. - -- InChI.txt - This file contains a list of species and their InChI strings. A species is labeled with its - PrIMe species ID. This file is fed to the RMG module InChI2AdjList.java, present in the - default package of the RMG software, in order to construct an adjacency list for each - species present in Library.txt - -- adjList_output.txt - This file is the output from feeding InChI.txt to InChI2AdjList.java. It contains a list of - species, identified by their PrIMe species ID, and their adjacency list. This is the - exact output from the RMG module. - -- Dictionary.txt - This file contains the same information as adjList_output.txt, with some minor corrections - by MRH. The corrections include: - * Commenting out all Nitrogen-containing species (since RMG does not recognize N) - * Commenting out the C3H7 species (since the GRI-Mech 3.0 C3H7 species is a lumped species - of 1-C3H7 and 2-C3H7) - * Commenting out Argon (since RMG does not recognize Ar) - * Correcting some of the adjacency lists, e.g. CH3, CH2(S), CH2, OH, and O. The InChI - executable does not label these as radicals (using the M RAD tag near the bottom of - the .mol file). Rather, it labels the bonds to the heavy atoms. MRH has not updated - the Java source code to handle this yet. - -Together, Dictionary.txt and Library.txt make up a new PrimaryThermoLibrary: GRI-Mech3.0 \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/writePrimaryThermoLibraryFiles.m b/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/writePrimaryThermoLibraryFiles.m deleted file mode 100644 index 01c5173ae0..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/GRI-Mech3.0/writePrimaryThermoLibraryFiles.m +++ /dev/null @@ -1,45 +0,0 @@ -function writePrimaryThermoLibraryFiles(dataArray_RMG) -%writePrimaryThermoLibraryFiles.m - -%Open a text file -fidLibrary = fopen('Library.txt','wt'); -fidInChI = fopen('InChI.txt','wt'); - -fprintf(fidLibrary,'//Library.txt\n' + ... - '//\tversion 1.0\n\n' + ... - '//This file contains PrIMe-recommended thermochemistry data ' + ... - 'as of ' + datestr(now) + '\n' + ... - '//All data was converted from NASA-7 polynomial format' + ... - ' (unless otherwise noted)\n' + ... - '//All uncertainty values were assigned values of 0.0\n\n' + ... - '//Name\tHf298\tS298\tCp300\tCp400\tCp500\tCp600\tCp800\t' + ... - 'Cp1000\tCp1500\tdH\tdS\tdCp\tNotes\n\n' + ... - '//Units\n' + ... - '//H: kcal/mol\n' + ... - '//S and Cp: cal/mol/K\n\n'); -%Loop over all "Gold Star" species -sizeCell = size(dataArray_RMG); -for numGSSpecies = 1:sizeCell(1) - %The primeID string (for now) will be the "Group" name - fprintf(fidLibrary,dataArray_RMG{numGSSpecies,1} + '\t'); - %Fill in the thermodynamic (H, S, Cp's) data - for numParams = 1:9 - fprintf(fidLibrary,... - num2str(dataArray_RMG{numGSSpecies,numParams+2}) + '\t'); - end - %Fill in the dH, dS, and dCP values (set to zero) - fprintf(fidLibrary,'0.0\t0.0\t0.0\t'); - %Comment where the data came from - if ~isempty(dataArray_RMG{numGSSpecies,12}) - fprintf(fidLibrary,dataArray_RMG{numGSSpecies,12}); - end - fprintf(fidLibrary,'\n'); - - fprintf(fidInChI,dataArray_RMG{numGSSpecies,1} + '\t' + ... - dataArray_RMG{numGSSpecies,2} + '\n'); -end - -fclose(fidLibrary); -fclose(fidInChI); - -return \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/Gauche_Dictionary.txt b/output/RMG_database_sulfur/thermo_groups/Gauche_Dictionary.txt deleted file mode 100644 index b3cded49e8..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Gauche_Dictionary.txt +++ /dev/null @@ -1,1386 +0,0 @@ -//P = primary Cs, S=secondary Cs, T=tertiary Cs, Q=quarternary Cs where n-ary Cs refers to a Cs bonded to n other Cs atoms -//notation in comments x(y1...yn) refers to central atom of type x, with ligands of type yi - -CsOsCd -1 * {Cs,Os,Cd} 0 - -Cs(RRRR) //"zeroary" (methane, or bonded to all non-Cs atoms) -1 * Cs 0 - -Cs(CsRRR) //P(P) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} -3 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} - -Cs(Cs(CsRR)RRR) //P(S) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} - -Cs(Cs(CsCsR)RRR) //P(T) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} - -Cs(Cs(CsCsCs)RRR) //P(Q) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} - -Cs(CsCsRR) //S(PP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} - -Cs(Cs(CsRR)CsRR) //S(SP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Cs(Cs(CsRR)Cs(CsRR)RR) //S(SS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Cs(Cs(CsCsR)CsRR) //S(TP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Cs(Cs(CsCsR)Cs(CsRR)RR) //S(TS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Cs(Cs(CsCsR)Cs(CsCsR)RR) //S(TT) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Cs(Cs(CsCsCs)CsRR) //S(QP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Cs(Cs(CsCsCs)Cs(CsRR)RR) //S(QS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)RR) //S(QT) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)RR) //S(QQ) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} - -Cs(CsCsCsR) //T(PPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} - -Cs(Cs(CsRR)CsCsR) //T(SPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsRR)Cs(CsRR)CsR) //T(SSP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)R) //T(SSS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsR)CsCsR) //T(TPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsR)Cs(CsRR)CsR) //T(TSP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)R) //T(TSS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsR)Cs(CsCsR)CsR) //T(TTP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)R) //T(TTS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)R) //T(TTT) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsCs)CsCsR) //T(QPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsCs)Cs(CsRR)CsR) //T(QSP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)R) //T(QSS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)CsR) //T(QTP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)R) //T(QTS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)R) //T(QTT) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)CsR) //T(QQP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)R) //T(QQS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)R) //T(QQT) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)R) //T(QQQ) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 Cs 0 {4,S} - -Cs(CsCsCsCs) //Q(PPPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 Cs 0 {1,S} - -Cs(Cs(CsRR)CsCsCs) //Q(SPPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsRR)Cs(CsRR)CsCs) //Q(SSPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)Cs) //Q(SSSP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)Cs(CsRR)) //Q(SSSS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsR)CsCsCs) //Q(TPPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsR)Cs(CsRR)CsCs) //Q(TSPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)Cs) //Q(TSSP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)Cs(CsRR)) //Q(TSSS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsR)Cs(CsCsR)CsCs) //Q(TTPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)Cs) //Q(TTSP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)Cs(CsRR)) //Q(TTSS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs) //Q(TTTP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs(CsRR)) //Q(TTTS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)) //Q(TTTT) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 Cs 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)CsCsCs) //Q(QPPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsRR)CsCs) //Q(QSPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)Cs) //Q(QSSP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)Cs(CsRR)) //Q(QSSS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)CsCs) //Q(QTPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)Cs) //Q(QTSP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)Cs(CsRR)) //Q(QTSS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs) //Q(QTTP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs(CsRR)) //Q(QTTS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)) //Q(QTTT) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 Cs 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)CsCs) //Q(QQPP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)Cs) //Q(QQSP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)Cs(CsRR)) //Q(QQSS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs) //Q(QQTP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)) //Q(QQTS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)) //Q(QQTT) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -15 Cs 0 {5,S} -16 Cs 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs) //Q(QQQP) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 Cs 0 {4,S} -15 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)) //Q(QQQS) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 Cs 0 {4,S} -15 Cs 0 {5,S} -16 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)) //Q(QQQT) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 Cs 0 {4,S} -15 Cs 0 {5,S} -16 Cs 0 {5,S} -17 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {5,S} - -Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)) //Q(QQQQ) -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 Cs 0 {1,S} {6,S} {7,S} {8,S} -3 Cs 0 {1,S} {9,S} {10,S} {11,S} -4 Cs 0 {1,S} {12,S} {13,S} {14,S} -5 Cs 0 {1,S} {15,S} {16,S} {17,S} -6 Cs 0 {2,S} -7 Cs 0 {2,S} -8 Cs 0 {2,S} -9 Cs 0 {3,S} -10 Cs 0 {3,S} -11 Cs 0 {3,S} -12 Cs 0 {4,S} -13 Cs 0 {4,S} -14 Cs 0 {4,S} -15 Cs 0 {5,S} -16 Cs 0 {5,S} -17 Cs 0 {5,S} - -Os(RR) //zeroary oxygen (water or no Cs groups) -1 * Os 0 - -Os(CsR) //P(P) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} -3 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} - -Os(Cs(CsRR)R) //P(S) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -4 Cs 0 {2,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} - -Os(Cs(CsCsR)R) //P(T) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} - -Os(Cs(CsCsCs)R) //P(Q) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {1,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} - -Os(CsCs) //S(PP) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} - -Os(Cs(CsRR)Cs) //S(SP) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - - -Os(Cs(CsRR)Cs(CsRR)) //S(SS) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -7 Cs 0 {3,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Os(Cs(CsCsR)Cs) //S(TP) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Os(Cs(CsCsR)Cs(CsRR)) //S(TS) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -7 Cs 0 {3,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Os(Cs(CsCsR)Cs(CsCsR)) //S(TT) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Os(Cs(CsCsCs)Cs) //S(QP) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Os(Cs(CsCsCs)Cs(CsRR)) //S(QS) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Os(Cs(CsCsCs)Cs(CsCsR)) //S(QT) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} - -Os(Cs(CsCsCs)Cs(CsCsCs)) //S(QQ) -1 * Os 0 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 Cs 0 {1,S} {7,S} {8,S} {9,S} -4 Cs 0 {2,S} -5 Cs 0 {2,S} -6 Cs 0 {2,S} -7 Cs 0 {3,S} -8 Cs 0 {3,S} -9 Cs 0 {3,S} - -Cd(CsCs) //S(PP) -1 * Cd 0 {2,D} {3,S} {4,S} -2 Cd 0 {1,D} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Cd(Cs(CsRR)Cs) //S(SP) -1 * Cd 0 {2,D} {3,S} {4,S} -2 Cd 0 {1,D} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {1,S} {8,S} {9,S} {10,S} -5 Cs 0 {3,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - - -Cd(Cs(CsRR)Cs(CsRR)) //S(SS) -1 * Cd 0 {2,D} {3,S} {4,S} -2 Cd 0 {1,D} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {1,S} {8,S} {9,S} {10,S} -5 Cs 0 {3,S} -6 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -8 Cs 0 {4,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cd(Cs(CsCsR)Cs) //S(TP) -1 * Cd 0 {2,D} {3,S} {4,S} -2 Cd 0 {1,D} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {1,S} {8,S} {9,S} {10,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cd(Cs(CsCsR)Cs(CsRR)) //S(TS) -1 * Cd 0 {2,D} {3,S} {4,S} -2 Cd 0 {1,D} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {1,S} {8,S} {9,S} {10,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -8 Cs 0 {4,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cd(Cs(CsCsR)Cs(CsCsR)) //S(TT) -1 * Cd 0 {2,D} {3,S} {4,S} -2 Cd 0 {1,D} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {1,S} {8,S} {9,S} {10,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {3,S} -8 Cs 0 {4,S} -9 Cs 0 {4,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cd(Cs(CsCsCs)Cs) //S(QP) -1 * Cd 0 {2,D} {3,S} {4,S} -2 Cd 0 {1,D} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {1,S} {8,S} {9,S} {10,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cd(Cs(CsCsCs)Cs(CsRR)) //S(QS) -1 * Cd 0 {2,D} {3,S} {4,S} -2 Cd 0 {1,D} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {1,S} {8,S} {9,S} {10,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 Cs 0 {4,S} -9 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cd(Cs(CsCsCs)Cs(CsCsR)) //S(QT) -1 * Cd 0 {2,D} {3,S} {4,S} -2 Cd 0 {1,D} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {1,S} {8,S} {9,S} {10,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 Cs 0 {4,S} -9 Cs 0 {4,S} -10 {Cd,Cdd,Ct,Cb,Cbf,Os,CO,H} 0 {4,S} - -Cd(Cs(CsCsCs)Cs(CsCsCs)) //S(QQ) -1 * Cd 0 {2,D} {3,S} {4,S} -2 Cd 0 {1,D} -3 Cs 0 {1,S} {5,S} {6,S} {7,S} -4 Cs 0 {1,S} {8,S} {9,S} {10,S} -5 Cs 0 {3,S} -6 Cs 0 {3,S} -7 Cs 0 {3,S} -8 Cs 0 {4,S} -9 Cs 0 {4,S} -10 Cs 0 {4,S} - diff --git a/output/RMG_database_sulfur/thermo_groups/Gauche_Library.txt b/output/RMG_database_sulfur/thermo_groups/Gauche_Library.txt deleted file mode 100644 index 1c46719e12..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Gauche_Library.txt +++ /dev/null @@ -1,112 +0,0 @@ -//gmagoon, 2/9/09 -//the following gauche counting scheme is used (cf. Cohen and Benson, "The thermochemistry of alkanes and cycloalkanes" in The Chemistry of Alkanes and Cycloalkanes, ed. S. Patai, Z. Rappoport, 1992, p. 240 -//S-S(gauche) and S-T(syn) and T-T(cis) should be one and two and three, respectively, but they are ignored here and the lower value is used -//P-P,S,T,orQ: 0 -//S-S: 0 -//S-T: 1 -//S-Q: 2 -//T-T: 2 (except T-T-T, which is 5 total) -//T-Q: 4 -//Q-Q: 6 -//based on NIST Webbook Group additivity implementation, it seems that this is only applicable to rings and corrections are lower for ring atoms -//the above is the "simple" counting scheme (same as used by NIST Webbook with the exception of T-T-T); there is also the revised counting scheme, but as far as I know, it has only been tested on the 1992 revision of values (this is based on 1976 values to be consistent with rest of database) -//the total contributions for each group will be added and divided by two (since each bond will be counted twice) (except in the case of T-T-T or ethers, where it will not be divided by two); the number of interactions (with division by two where applicable) appears in the comments -//a single gauche correction is worth 0.8 kcal/mol for alkanes and 0.5 kcal/mol for ethers (cf. Benson, Thermochemical Kinetics: Methods for the Estimation of Thermochemical Data and Rate Parameters, 2nd Edition, 1976. and Cohen and Benson, Chem. Rev. 93 (1993) 2419) -//for alkenes, the value of 0.5 kcal/mol is used and the counting scheme discussed in Benson, Cruickshank, Golden, Haugen, O'Neal, Rodgers, Shaw, and Walsh, Chemical Reviews, 1969, 69, 279, (including neglecting gauche for "secondary" Cs) was used - -0 CsOsCd 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 -1 Cs(RRRR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //"zeroary" (e.g. methane) -2 Cs(CsRRR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //P(P) -3 Cs(Cs(CsRR)RRR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //P(S) -4 Cs(Cs(CsCsR)RRR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //P(T) -5 Cs(Cs(CsCsCs)RRR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //P(Q) -6 Cs(CsCsRR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(PP) -7 Cs(Cs(CsRR)CsRR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(SP) -8 Cs(Cs(CsRR)Cs(CsRR)RR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(SS) -9 Cs(Cs(CsCsR)CsRR) 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(TP) 0.5 gauche interactions -10 Cs(Cs(CsCsR)Cs(CsRR)RR) 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(TS) 0.5 gauche interactions -11 Cs(Cs(CsCsR)Cs(CsCsR)RR) 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(TT) 1 gauche interaction -12 Cs(Cs(CsCsCs)CsRR) 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QP) 1 gauche interaction(GI) -13 Cs(Cs(CsCsCs)Cs(CsRR)RR) 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QS) 1 GI -14 Cs(Cs(CsCsCs)Cs(CsCsR)RR) 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QT) 1.5 GI -15 Cs(Cs(CsCsCs)Cs(CsCsCs)RR) 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QQ) 2 GI -16 Cs(CsCsCsR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(PPP) -17 Cs(Cs(CsRR)CsCsR) 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(SPP) 0.5 GI -18 Cs(Cs(CsRR)Cs(CsRR)CsR) 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(SSP) 1 GI -19 Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)R) 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(SSS) 1.5 GI -20 Cs(Cs(CsCsR)CsCsR) 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(TPP) 1 GI -21 Cs(Cs(CsCsR)Cs(CsRR)CsR) 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(TSP) 1.5 GI -22 Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)R) 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(TSS) 2 GI -23 Cs(Cs(CsCsR)Cs(CsCsR)CsR) 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(TTP) 3 GI (4/2 + 1 for T-T-T) -24 Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)R) 2.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(TTS) 3.5 GI (5/2 + 1 for T-T-T) -25 Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)R) 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(TTT) 4 GI (6/2 + 1 for T-T-T) -26 Cs(Cs(CsCsCs)CsCsR) 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(QPP) 2 GI -27 Cs(Cs(CsCsCs)Cs(CsRR)CsR) 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(QSP) 2.5 GI -28 Cs(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)R) 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(QSS) 3 GI -29 Cs(Cs(CsCsCs)Cs(CsCsR)CsR) 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(QTP) 3 GI -30 Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)R) 2.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(QTS) 3.5 GI -31 Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)R) 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(QTT) 5 GI (8/2 + 1 for T-T-T) -32 Cs(Cs(CsCsCs)Cs(CsCsCs)CsR) 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(QQP) 4 GI -33 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)R) 3.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(QQS) 4.5 GI -34 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)R) 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(QQT) 5 GI -35 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)R) 4.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //T(QQQ) 6 GI -36 Cs(CsCsCsCs) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(PPPP) -37 Cs(Cs(CsRR)CsCsCs) 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(SPPP) 1 GI -38 Cs(Cs(CsRR)Cs(CsRR)CsCs) 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(SSPP) 2 GI -39 Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)Cs) 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(SSSP) 3 GI -40 Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)Cs(CsRR)) 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(SSSS) 4 GI -41 Cs(Cs(CsCsR)CsCsCs) 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(TPPP) 2 GI -42 Cs(Cs(CsCsR)Cs(CsRR)CsCs) 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(TSPP) 3 GI -43 Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)Cs) 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(TSSP) 4 GI -44 Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)Cs(CsRR)) 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(TSSS) 5 GI -45 Cs(Cs(CsCsR)Cs(CsCsR)CsCs) 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(TTPP) 4 GI -46 Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)Cs) 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(TTSP) 5 GI -47 Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)Cs(CsRR)) 4.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(TTSS) 6 GI -48 Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs) 4.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(TTTP) 6 GI -49 Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs(CsRR)) 5.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(TTTS) 7 GI -50 Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)) 6.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(TTTT) 8 GI -51 Cs(Cs(CsCsCs)CsCsCs) 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QPPP) 3 GI -52 Cs(Cs(CsCsCs)Cs(CsRR)CsCs) 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QSPP) 4 GI -53 Cs(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)Cs) 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QSSP) 5 GI -54 Cs(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)Cs(CsRR)) 4.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QSSS) 6 GI -55 Cs(Cs(CsCsCs)Cs(CsCsR)CsCs) 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QTPP) 5 GI -56 Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)Cs) 4.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QTSP) 6 GI -57 Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)Cs(CsRR)) 5.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QTSS) 7 GI -58 Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs) 5.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QTTP) 7 GI -59 Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs(CsRR)) 6.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QTTS) 8 GI -60 Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)) 7.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QTTT) 9 GI -61 Cs(Cs(CsCsCs)Cs(CsCsCs)CsCs) 4.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QQPP) 6 GI -62 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)Cs) 5.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QQSP) 7 GI -63 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)Cs(CsRR)) 6.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QQSS) 8 GI -64 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs) 6.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QQTP) 8 GI -65 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)) 7.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QQTS) 9 GI -66 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)) 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QQTT) 10 GI -67 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs) 7.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QQQP) 9 GI -68 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)) 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QQQS) 10 GI -69 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)) 8.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QQQT) 11 GI -70 Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)) 9.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //Q(QQQQ) 12 GI -71 Os(RR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //zeroary oxygen (e.g. water) -72 Os(CsR) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //P(P) -73 Os(Cs(CsRR)R) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //P(S) -74 Os(Cs(CsCsR)R) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //P(T) -75 Os(Cs(CsCsCs)R) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //P(Q) -76 Os(CsCs) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(PP) -77 Os(Cs(CsRR)Cs) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(SP) -78 Os(Cs(CsRR)Cs(CsRR)) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(SS) -79 Os(Cs(CsCsR)Cs) 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(TP) 1 GI -80 Os(Cs(CsCsR)Cs(CsRR)) 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(TS) 1 GI -81 Os(Cs(CsCsR)Cs(CsCsR)) 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(TT) 2 GI -82 Os(Cs(CsCsCs)Cs) 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QP) 2 GI -83 Os(Cs(CsCsCs)Cs(CsRR)) 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QS) 2 GI -84 Os(Cs(CsCsCs)Cs(CsCsR)) 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QT) 3 GI -85 Os(Cs(CsCsCs)Cs(CsCsCs)) 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QQ) 4 GI -86 Cd(CsCs) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(PP) -87 Cd(Cs(CsRR)Cs) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(SP) -88 Cd(Cs(CsRR)Cs(CsRR)) 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(SS) -89 Cd(Cs(CsCsR)Cs) 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(TP) 2 GI -90 Cd(Cs(CsCsR)Cs(CsRR)) 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(TS) 2 GI -91 Cd(Cs(CsCsR)Cs(CsCsR)) 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(TT) 4 GI -92 Cd(Cs(CsCsCs)Cs) 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QP) 2 GI -93 Cd(Cs(CsCsCs)Cs(CsRR)) 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QS) 2 GI -94 Cd(Cs(CsCsCs)Cs(CsCsR)) 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QT) 4 GI -95 Cd(Cs(CsCsCs)Cs(CsCsCs)) 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 //S(QQ) 4 GI diff --git a/output/RMG_database_sulfur/thermo_groups/Gauche_Tree.txt b/output/RMG_database_sulfur/thermo_groups/Gauche_Tree.txt deleted file mode 100644 index cdf05df876..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Gauche_Tree.txt +++ /dev/null @@ -1,100 +0,0 @@ -//note that the level should correspond to the number of Cs within 2 bonds (through Cs) of the central atom -//P = primary Cs, S=secondary Cs, T=tertiary Cs, Q=quarternary Cs where n-ary Cs refers to a Cs bonded to n other Cs atoms -//notation in comments x(y1...yn) refers to central atom of type x, with ligands of type yi -//here, R refers to R!Cs -L0: CsOsCd -L1: Cs(RRRR) //"zeroary" (e.g. methane) - L2: Cs(CsRRR) //P(P) - L3: Cs(Cs(CsRR)RRR) //P(S) - L3: Cs(Cs(CsCsR)RRR) //P(T) - L3: Cs(Cs(CsCsCs)RRR) //P(Q) - L2: Cs(CsCsRR) //S(PP) - L3: Cs(Cs(CsRR)CsRR) //S(SP) - L3: Cs(Cs(CsRR)Cs(CsRR)RR) //S(SS) - L3: Cs(Cs(CsCsR)CsRR) //S(TP) - L3: Cs(Cs(CsCsR)Cs(CsRR)RR) //S(TS) - L3: Cs(Cs(CsCsR)Cs(CsCsR)RR) //S(TT) - L3: Cs(Cs(CsCsCs)CsRR) //S(QP) - L3: Cs(Cs(CsCsCs)Cs(CsRR)RR) //S(QS) - L3: Cs(Cs(CsCsCs)Cs(CsCsR)RR) //S(QT) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)RR) //S(QQ) - L2: Cs(CsCsCsR) //T(PPP) - L3: Cs(Cs(CsRR)CsCsR) //T(SPP) - L3: Cs(Cs(CsRR)Cs(CsRR)CsR) //T(SSP) - L3: Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)R) //T(SSS) - L3: Cs(Cs(CsCsR)CsCsR) //T(TPP) - L3: Cs(Cs(CsCsR)Cs(CsRR)CsR) //T(TSP) - L3: Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)R) //T(TSS) - L3: Cs(Cs(CsCsR)Cs(CsCsR)CsR) //T(TTP) - L3: Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)R) //T(TTS) - L3: Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)R) //T(TTT) - L3: Cs(Cs(CsCsCs)CsCsR) //T(QPP) - L3: Cs(Cs(CsCsCs)Cs(CsRR)CsR) //T(QSP) - L3: Cs(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)R) //T(QSS) - L3: Cs(Cs(CsCsCs)Cs(CsCsR)CsR) //T(QTP) - L3: Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)R) //T(QTS) - L3: Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)R) //T(QTT) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)CsR) //T(QQP) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)R) //T(QQS) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)R) //T(QQT) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)R) //T(QQQ) - L2: Cs(CsCsCsCs) //Q(PPPP) - L3: Cs(Cs(CsRR)CsCsCs) //Q(SPPP) - L3: Cs(Cs(CsRR)Cs(CsRR)CsCs) //Q(SSPP) - L3: Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)Cs) //Q(SSSP) - L3: Cs(Cs(CsRR)Cs(CsRR)Cs(CsRR)Cs(CsRR)) //Q(SSSS) - L3: Cs(Cs(CsCsR)CsCsCs) //Q(TPPP) - L3: Cs(Cs(CsCsR)Cs(CsRR)CsCs) //Q(TSPP) - L3: Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)Cs) //Q(TSSP) - L3: Cs(Cs(CsCsR)Cs(CsRR)Cs(CsRR)Cs(CsRR)) //Q(TSSS) - L3: Cs(Cs(CsCsR)Cs(CsCsR)CsCs) //Q(TTPP) - L3: Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)Cs) //Q(TTSP) - L3: Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsRR)Cs(CsRR)) //Q(TTSS) - L3: Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs) //Q(TTTP) - L3: Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs(CsRR)) //Q(TTTS) - L3: Cs(Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)) //Q(TTTT) - L3: Cs(Cs(CsCsCs)CsCsCs) //Q(QPPP) - L3: Cs(Cs(CsCsCs)Cs(CsRR)CsCs) //Q(QSPP) - L3: Cs(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)Cs) //Q(QSSP) - L3: Cs(Cs(CsCsCs)Cs(CsRR)Cs(CsRR)Cs(CsRR)) //Q(QSSS) - L3: Cs(Cs(CsCsCs)Cs(CsCsR)CsCs) //Q(QTPP) - L3: Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)Cs) //Q(QTSP) - L3: Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)Cs(CsRR)) //Q(QTSS) - L3: Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs) //Q(QTTP) - L3: Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs(CsRR)) //Q(QTTS) - L3: Cs(Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)Cs(CsCsR)) //Q(QTTT) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)CsCs) //Q(QQPP) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)Cs) //Q(QQSP) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)Cs(CsRR)) //Q(QQSS) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs) //Q(QQTP) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs(CsRR)) //Q(QQTS) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)Cs(CsCsR)) //Q(QQTT) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs) //Q(QQQP) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsRR)) //Q(QQQS) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsR)) //Q(QQQT) - L3: Cs(Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)Cs(CsCsCs)) //Q(QQQQ) -L1: Os(RR) //zeroary oxygen (e.g. water) - L2: Os(CsR) //P(P) - L3: Os(Cs(CsRR)R) //P(S) - L3: Os(Cs(CsCsR)R) //P(T) - L3: Os(Cs(CsCsCs)R) //P(Q) - L2: Os(CsCs) //S(PP) - L3: Os(Cs(CsRR)Cs) //S(SP) - L3: Os(Cs(CsRR)Cs(CsRR)) //S(SS) - L3: Os(Cs(CsCsR)Cs) //S(TP) - L3: Os(Cs(CsCsR)Cs(CsRR)) //S(TS) - L3: Os(Cs(CsCsR)Cs(CsCsR)) //S(TT) - L3: Os(Cs(CsCsCs)Cs) //S(QP) - L3: Os(Cs(CsCsCs)Cs(CsRR)) //S(QS) - L3: Os(Cs(CsCsCs)Cs(CsCsR)) //S(QT) - L3: Os(Cs(CsCsCs)Cs(CsCsCs)) //S(QQ) -L1: Cd(CsCs) //S(PP) - L2: Cd(Cs(CsRR)Cs) //S(SP) - L2: Cd(Cs(CsRR)Cs(CsRR)) //S(SS) - L2: Cd(Cs(CsCsR)Cs) //S(TP) - L2: Cd(Cs(CsCsR)Cs(CsRR)) //S(TS) - L2: Cd(Cs(CsCsR)Cs(CsCsR)) //S(TT) - L2: Cd(Cs(CsCsCs)Cs) //S(QP) - L2: Cd(Cs(CsCsCs)Cs(CsRR)) //S(QS) - L2: Cd(Cs(CsCsCs)Cs(CsCsR)) //S(QT) - L2: Cd(Cs(CsCsCs)Cs(CsCsCs)) //S(QQ) \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/Group_Dictionary.txt b/output/RMG_database_sulfur/thermo_groups/Group_Dictionary.txt deleted file mode 100644 index 8f36eeda70..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Group_Dictionary.txt +++ /dev/null @@ -1,15682 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// Carbon Adjacency List -// -// Joanna Yu, May 11, 2004 -// -// This version uses the Functional Group definitions -// -///////////////////////////////////////////////////////////////////// - - R - 1 * R 0 - -// Carbon adjList - - C // L1 Node - 1 * C 0 - - Cbf // L2 Node - 1 * Cbf 0 - - Cbf-CbCbCbf - 1 * Cbf 0 {2,B} {3,B} {4,B} - 2 Cb 0 {1,B} - 3 Cb 0 {1,B} - 4 Cbf 0 {1,B} - - Cbf-CbCbfCbf - 1 * Cbf 0 {2,B} {3,B} {4,B} - 2 Cb 0 {1,B} - 3 Cbf 0 {1,B} - 4 Cbf 0 {1,B} - - Cbf-CbfCbfCbf - 1 * Cbf 0 {2,B} {3,B} {4,B} - 2 Cbf 0 {1,B} - 3 Cbf 0 {1,B} - 4 Cbf 0 {1,B} - - Cb - 1 * Cb 0 - - Cb-H - 1 * Cb 0 {2,S} - 2 H 0 {1,S} - - Cb-Os - 1 * Cb 0 {2,S} - 2 Os 0 {1,S} - - Cb-C - 1 * Cb 0 {2,S} - 2 C 0 {1,S} - - Cb-Cs - 1 * Cb 0 {2,S} - 2 Cs 0 {1,S} - - Cb-Cds - 1 * Cb 0 {2,S} - 2 {Cd,CO} 0 {1,S} - - Cb-(Cds-Od) - 1 * Cb 0 {2,S} - 2 CO 0 {1,S} - - Cb-(Cds-Cd) - 1 * Cb 0 {2,S} - 2 Cd 0 {1,S} - - Cb-(Cds-Cds) - 1 * Cb 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Cd 0 {2,D} - - Cb-(Cds-Cdd) - 1 * Cb 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Cdd 0 {2,D} - - Cb-(Cds-Cdd-Od) - 1 * Cb 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Cdd 0 {2,D} {4,D} - 4 Od 0 {3,D} - - Cb-(Cds-Cdd-Cd) - 1 * Cb 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Cdd 0 {2,D} {4,D} - 4 C 0 {3,D} - - Cb-Ct - 1 * Cb 0 {2,S} - 2 Ct 0 {1,S} - - Cb-Cb - 1 * Cb 0 {2,S} - 2 Cb 0 {1,S} - - Ct - 1 * Ct 0 - - Ct-H - 1 * Ct 0 {2,S} - 2 H 0 {1,S} - - Ct-Os - 1 * Ct 0 {2,S} - 2 Os 0 {1,S} - - Ct-C - 1 * Ct 0 {2,S} - 2 C 0 {1,S} - - Ct-Cs - 1 * Ct 0 {2,S} - 2 Cs 0 {1,S} - - Ct-Cds - 1 * Ct 0 {2,S} - 2 {Cd,CO} 0 {1,S} - - Ct-(Cds-Od) - 1 * Ct 0 {2,S} - 2 CO 0 {1,S} - - Ct-(Cds-Cd) - 1 * Ct 0 {2,S} - 2 Cd 0 {1,S} - - Ct-(Cds-Cds) - 1 * Ct 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Cd 0 {2,D} - - Ct-(Cds-Cdd) - 1 * Ct 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Cdd 0 {2,D} - - Ct-(Cds-Cdd-Od) - 1 * Ct 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Cdd 0 {2,D} {4,D} - 4 Od 0 {3,D} - - Ct-(Cds-Cdd-Cd) - 1 * Ct 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Cdd 0 {2,D} {4,D} - 4 C 0 {3,D} - - Ct-Ct - 1 * Ct 0 {2,S} - 2 Ct 0 {1,S} - - Ct-Cb - 1 * Ct 0 {2,S} - 2 Cb 0 {1,S} - - Cdd - 1 * Cdd 0 - - Cdd-OdOd - 1 * Cdd 0 {2,D} {3,D} - 2 Od 0 {1,D} - 3 Od 0 {1,D} - - Cdd-CdOd - 1 * Cdd 0 {2,D} {3,D} - 2 C 0 {1,D} - 3 Od 0 {1,D} - - Cdd-CdsOd - 1 * Cdd 0 {2,D} {3,D} - 2 Cd 0 {1,D} - 3 Od 0 {1,D} - - Cdd-CddOd - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} - 3 Od 0 {1,D} - - Cdd-(Cdd-Cd)Od - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Od 0 {1,D} - 4 C 0 {2,D} - - Cdd-(Cdd-Od)Od - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Od 0 {1,D} - 4 Od 0 {2,D} - - Cdd-CdCd - 1 * Cdd 0 {2,D} {3,D} - 2 C 0 {1,D} - 3 C 0 {1,D} - - Cdd-CddCdd - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} - 3 Cdd 0 {1,D} - - Cdd-(Cdd-Od)(Cdd-Od) - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Cdd 0 {1,D} {5,D} - 4 Od 0 {2,D} - 5 Od 0 {3,D} - - Cdd-(Cdd-Od)(Cdd-Cd) - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Cdd 0 {1,D} {5,D} - 4 Od 0 {2,D} - 5 C 0 {3,D} - - Cdd-(Cdd-Cd)(Cdd-Cd) - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Cdd 0 {1,D} {5,D} - 4 C 0 {2,D} - 5 C 0 {3,D} - - Cdd-CddCds - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} - 3 Cd 0 {1,D} - - Cdd-(Cdd-Od)Cds - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Cd 0 {1,D} - 4 Od 0 {2,D} - - Cdd-(Cdd-Cd)Cds - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Cd 0 {1,D} - 4 C 0 {2,D} - - Cdd-CdsCds - 1 * Cdd 0 {2,D} {3,D} - 2 Cd 0 {1,D} - 3 Cd 0 {1,D} - - Cds - 1 * {Cd,CO} 0 - - Cds-OdHH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - - Cds-OdOsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Os 0 {1,S} - 4 H 0 {1,S} - - Cds-OdOsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - - Cds-OdCH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 C 0 {1,S} - 4 H 0 {1,S} - - Cds-OdCsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - - Cds-OdCdsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 H 0 {1,S} - - Cds-Od(Cds-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 CO 0 {1,S} - 4 H 0 {1,S} - - Cds-Od(Cds-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} - 4 H 0 {1,S} - - Cds-Od(Cds-Cds)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cd 0 {3,D} - - Cds-Od(Cds-Cdd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cdd 0 {3,D} - - Cds-Od(Cds-Cdd-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Od 0 {5,D} - - Cds-Od(Cds-Cdd-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - Cds-OdCtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - - Cds-OdCbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - - Cds-OdCOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 C 0 {1,S} - 4 Os 0 {1,S} - - Cds-OdCsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - - Cds-OdCdsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 Os 0 {1,S} - - Cds-Od(Cds-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 CO 0 {1,S} - 4 Os 0 {1,S} - - Cds-Od(Cds-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} - 4 Os 0 {1,S} - - Cds-Od(Cds-Cds)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Os 0 {1,S} - 5 Cd 0 {3,D} - - Cds-Od(Cds-Cdd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Os 0 {1,S} - 5 Cdd 0 {3,D} - - Cds-Od(Cds-Cdd-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Os 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Od 0 {5,D} - - Cds-Od(Cds-Cdd-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Os 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - Cds-OdCtOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - - Cds-OdCbOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - - Cds-OdCC - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 C 0 {1,S} - 4 C 0 {1,S} - - Cds-OdCsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - - Cds-OdCdsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - - Cds-Od(Cds-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 CO 0 {1,S} - 4 Cs 0 {1,S} - - Cds-Od(Cds-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - - Cds-Od(Cds-Cds)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cd 0 {3,D} - - Cds-Od(Cds-Cdd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cdd 0 {3,D} - - Cds-Od(Cds-Cdd-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Od 0 {5,D} - - Cds-Od(Cds-Cdd-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - Cds-OdCdsCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - - Cds-Od(Cds-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - - Cds-Od(Cds-Cd)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} - 4 CO 0 {1,S} - - Cds-Od(Cds-Cds)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 CO 0 {1,S} - 5 Cd 0 {3,D} - - Cds-Od(Cds-Cdd)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 CO 0 {1,S} - 5 Cdd 0 {3,D} - - Cds-Od(Cds-Cdd-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 CO 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Od 0 {5,D} - - Cds-Od(Cds-Cdd-Cd)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 CO 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - Cds-Od(Cds-Cd)(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - - Cds-Od(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {3,D} - 6 Cd 0 {4,D} - - Cds-Od(Cds-Cdd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} - 6 Cd 0 {4,D} - - Cds-Od(Cds-Cdd-Od)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cd 0 {4,D} - 7 Od 0 {5,D} - - Cds-Od(Cds-Cdd-Cd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cd 0 {4,D} - 7 C 0 {5,D} - - Cds-Od(Cds-Cdd)(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} - 6 Cdd 0 {4,D} - - Cds-Od(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Od 0 {5,D} - 8 Od 0 {6,D} - - Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 C 0 {5,D} - 8 Od 0 {6,D} - - Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 C 0 {5,D} - 8 C 0 {6,D} - - Cds-OdCtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - - Cds-OdCtCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - - Cds-OdCt(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 CO 0 {1,S} - - Cds-OdCt(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} - - Cds-OdCt(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cd 0 {4,D} - - Cds-OdCt(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} - - Cds-OdCt(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 Od 0 {5,D} - - Cds-OdCt(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 C 0 {5,D} - - Cds-OdCtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - - Cds-OdCbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - - Cds-OdCbCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 {Cd,CO} 0 {1,S} - - Cds-OdCb(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 CO 0 {1,S} - - Cds-OdCb(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} - - Cds-OdCb(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cd 0 {4,D} - - Cds-OdCb(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} - - Cds-OdCb(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 Od 0 {5,D} - - Cds-OdCb(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 C 0 {5,D} - - Cds-OdCbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - - Cds-OdCbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Od 0 {1,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - - Cds-CdHH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - - Cds-CdsHH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - - Cds-CddHH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - - Cds-(Cdd-Od)HH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)HH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - - Cds-CdOsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 Os 0 {1,S} - 4 H 0 {1,S} - - Cds-CdsOsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Os 0 {1,S} - 4 H 0 {1,S} - - Cds-CddOsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Os 0 {1,S} - 4 H 0 {1,S} - - Cds-(Cdd-Od)OsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)OsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - - Cds-CdOsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - - Cds-CdsOsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - - Cds-CddOsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - - Cds-(Cdd-Od)OsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)OsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 C 0 {2,D} - - Cds-CdCH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 C 0 {1,S} - 4 H 0 {1,S} - - Cds-CdsCsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - - Cds-CdsCdsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 H 0 {1,S} - - Cds-Cds(Cds-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 CO 0 {1,S} - 4 H 0 {1,S} - - Cds-Cds(Cds-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} - 4 H 0 {1,S} - - Cds-Cds(Cds-Cds)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cd 0 {3,D} - - Cds-Cds(Cds-Cdd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cdd 0 {3,D} - - Cds-Cds(Cds-Cdd-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Od 0 {5,D} - - Cds-Cds(Cds-Cdd-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - Cds-CdsCtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - - Cds-CdsCbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - - Cds-CddCsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - - Cds-(Cdd-Od)CsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCdsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 H 0 {1,S} - - Cds-(Cdd-Od)(Cds-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 H 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 H 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cds)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 Od 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - - Cds-(Cdd-Cd)(Cds-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - - Cds-(Cdd-Cd)(Cds-Cds)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-CddCtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - - Cds-(Cdd-Od)CtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - - Cds-(Cdd-Od)CbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - - Cds-CdCO - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 C 0 {1,S} - 4 O 0 {1,S} - - Cds-CdsCsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - - Cds-CdsCdsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 Os 0 {1,S} - - Cds-Cds(Cds-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 CO 0 {1,S} - 4 Os 0 {1,S} - - Cds-Cds(Cds-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} - 4 Os 0 {1,S} - - Cds-Cds(Cds-Cds)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Os 0 {1,S} - 5 Cd 0 {3,D} - - Cds-Cds(Cds-Cdd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Os 0 {1,S} - 5 Cdd 0 {3,D} - - Cds-Cds(Cds-Cdd-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Os 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Od 0 {5,D} - - Cds-Cds(Cds-Cdd-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Os 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - Cds-CdsCtOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - - Cds-CdsCbOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - - Cds-CddCsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - - Cds-(Cdd-Od)CsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCdsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 Os 0 {1,S} - - Cds-(Cdd-Od)(Cds-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 Os 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Os 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cds)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 Od 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Os 0 {1,S} - 5 C 0 {2,D} - - Cds-(Cdd-Cd)(Cds-Cds)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 C 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-CddCtOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - - Cds-(Cdd-Od)CtOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CtOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCbOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - - Cds-(Cdd-Od)CbOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CbOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 C 0 {2,D} - - Cds-CdCC - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 C 0 {1,S} - 4 C 0 {1,S} - - Cds-CdsCsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - - Cds-CdsCdsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - - Cds-Cds(Cds-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 CO 0 {1,S} - 4 Cs 0 {1,S} - - Cds-Cds(Cds-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - - Cds-Cds(Cds-Cds)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cd 0 {3,D} - - Cds-Cds(Cds-Cdd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cdd 0 {3,D} - - Cds-Cds(Cds-Cdd-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Od 0 {5,D} - - Cds-Cds(Cds-Cdd-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - Cds-CdsCdsCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - - Cds-Cds(Cds-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - - Cds-Cds(Cds-Od)(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} - - Cds-Cds(Cds-Od)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cd 0 {4,D} - - Cds-Cds(Cds-Od)(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} - - Cds-Cds(Cds-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 Od 0 {5,D} - - Cds-Cds(Cds-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 C 0 {5,D} - - Cds-Cds(Cds-Cd)(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - - Cds-Cds(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {3,D} - 6 Cd 0 {4,D} - - Cds-Cds(Cds-Cds)(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {3,D} - 6 Cdd 0 {4,D} - - Cds-Cds(Cds-Cds)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {3,D} - 6 Cdd 0 {4,D} {7,D} - 7 Od 0 {6,D} - - Cds-Cds(Cds-Cds)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {3,D} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - - Cds-Cds(Cds-Cdd)(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} - 6 Cdd 0 {4,D} - - Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Od 0 {5,D} - 8 Od 0 {6,D} - - Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Od 0 {5,D} - 8 C 0 {6,D} - - Cds-Cds(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 C 0 {5,D} - 8 C 0 {6,D} - - Cds-CdsCtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - - Cds-CdsCtCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - - Cds-CdsCt(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ct 0 {1,S} - 4 CO 0 {1,S} - - Cds-CdsCt(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} - - Cds-Cds(Cds-Cds)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ct 0 {1,S} - 5 Cd 0 {3,D} - - Cds-Cds(Cds-Cdd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ct 0 {1,S} - 5 Cdd 0 {3,D} - - Cds-Cds(Cds-Cdd-Od)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ct 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Od 0 {5,D} - - Cds-Cds(Cds-Cdd-Cd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ct 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - Cds-CdsCtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - - Cds-CdsCbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - - Cds-CdsCbCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cb 0 {1,S} - 4 {Cd,CO} 0 {1,S} - - Cds-CdsCb(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cb 0 {1,S} - 4 CO 0 {1,S} - - Cds-Cds(Cds-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - - Cds-Cds(Cds-Cds)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cb 0 {1,S} - 5 Cd 0 {3,D} - - Cds-Cds(Cds-Cdd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cb 0 {1,S} - 5 Cdd 0 {3,D} - - Cds-Cds(Cds-Cdd-Od)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cb 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Od 0 {5,D} - - Cds-Cds(Cds-Cdd-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cb 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - Cds-CdsCbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - - Cds-CdsCbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - - Cds-CddCsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - - Cds-(Cdd-Od)CsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCdsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - - Cds-(Cdd-Od)(Cds-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 Cs 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cds)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Od 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 C 0 {2,D} - - Cds-(Cdd-Cd)(Cds-Cds)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 C 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-CddCdsCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - - Cds-(Cdd-Od)(Cds-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cd)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 CO 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 CO 0 {1,S} - 5 Od 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 CO 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 CO 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 CO 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cd)(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Od 0 {2,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - - Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Od 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 C 0 {2,D} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} - 5 C 0 {2,D} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 C 0 {2,D} - 6 Cd 0 {4,D} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 C 0 {2,D} - 6 Cdd 0 {4,D} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 C 0 {2,D} - 6 Cdd 0 {4,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 C 0 {2,D} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cd)(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 C 0 {2,D} - - Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - - Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Od 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cds-CddCtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - - Cds-(Cdd-Od)CtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCtCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - - Cds-(Cdd-Od)(Cds-Od)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 Ct 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cds)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Od 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 C 0 {2,D} - - Cds-(Cdd-Cd)(Cds-Cds)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 C 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-CddCtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - - Cds-(Cdd-Od)CtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - - Cds-(Cdd-Od)CbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCbCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cb 0 {1,S} - 4 {Cd,CO} 0 {1,S} - - Cds-(Cdd-Od)(Cds-Od)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 CO 0 {1,S} - 4 Cb 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Od)(Cds-Cds)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Od 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Od 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 C 0 {2,D} - - Cds-(Cdd-Cd)(Cds-Cds)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 C 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-CddCbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - - Cds-(Cdd-Od)CbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - - Cds-(Cdd-Od)CbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Od 0 {2,D} - - Cds-(Cdd-Cd)CbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 C 0 {2,D} - - Cs - 1 * Cs 0 - - Cs-HHHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 H 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CHHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CsHHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsHHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)HHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)HHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cds)HHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)HHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)HHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)HHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtHHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CbHHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-OsHHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Os 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-OsOsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Os 0 {1,S} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-OsOsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Os 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-CCHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CsCsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsCsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)CsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)CsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CdsCdsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CtCdsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)CtHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)CtHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CtHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CtHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCdsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)CbHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)CbHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CbHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCtHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCbHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CCCH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 C 0 {1,S} - 5 H 0 {1,S} - - Cs-CsCsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsCsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)CsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)CsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsCdsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCdsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)CtCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)CtCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CtCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CtCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCdsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)CbCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)CbCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CbCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCtCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCbCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsCdsCdsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 Od 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Od 0 {7,D} - 10 Od 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Od 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 C 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 Od 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 C 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-CtCdsCdsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CbCdsCdsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCtCdsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 H 0 {1,S} - - Cs-CtCt(Cds-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 CO 0 {1,S} - 5 H 0 {1,S} - - Cs-CtCt(Cds-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} - 5 H 0 {1,S} - - Cs-CtCt(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cd 0 {4,D} - - Cs-CtCt(Cds-Cdd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} - - Cs-CtCt(Cds-Cdd-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Od 0 {6,D} - - Cs-CtCt(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCtCdsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCt(Cds-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 CO 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCt(Cds-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCt(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cd 0 {4,D} - - Cs-CbCt(Cds-Cdd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} - - Cs-CbCt(Cds-Cdd-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Od 0 {6,D} - - Cs-CbCt(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCbCdsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCb(Cds-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 CO 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCb(Cds-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCb(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cd 0 {4,D} - - Cs-CbCb(Cds-Cdd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} - - Cs-CbCb(Cds-Cdd-Od)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Od 0 {6,D} - - Cs-CbCb(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtCtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCtCtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCbCtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCbCbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - - Cs-CCCC - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 C 0 {1,S} - 5 C 0 {1,S} - - Cs-CsCsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CdsCsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)CsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cd)CsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cds)CsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CbCsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CdsCdsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCdsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)CtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cd)CtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cds)CtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCdsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)CbCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cd)CbCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cds)CbCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CbCtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CbCbCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CdsCdsCdsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cs 0 {1,S} - 6 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {4,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 Od 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Od 0 {7,D} - 10 Od 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Od 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 C 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 Od 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 C 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-CtCdsCdsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CbCdsCdsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCtCdsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)CtCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cd)CtCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cds)CtCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CtCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCtCdsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)CbCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cd)CbCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cds)CbCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCbCdsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Od)CbCbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cd)CbCbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - - Cs-(Cds-Cds)CbCbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbCbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CbCtCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CbCbCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CbCbCbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CdsCdsCdsCds - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 {Cd,CO} 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Od) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 CO 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 Cd 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 Cd 0 {1,S} {6,D} - 6 Cd 0 {5,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 Cd 0 {1,S} {6,D} - 6 Cdd 0 {5,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Od) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 Cd 0 {1,S} {6,D} - 6 Cdd 0 {5,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 Cd 0 {1,S} {6,D} - 6 Cdd 0 {5,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)(Cds-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} - 5 Cd 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cd 0 {4,D} - 7 Cd 0 {5,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} - 7 Cd 0 {5,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Cd 0 {5,D} - 8 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Cd 0 {5,D} - 8 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} - 7 Cdd 0 {5,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Cdd 0 {5,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Cdd 0 {5,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Cdd 0 {5,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)(Cds-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Cd 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Cd 0 {5,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Cdd 0 {5,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Cdd 0 {5,D} {9,D} - 9 Od 0 {8,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Cdd 0 {5,D} {9,D} - 9 C 0 {8,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cdd 0 {4,D} - 8 Cdd 0 {5,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cdd 0 {4,D} {9,D} - 8 Cdd 0 {5,D} {10,D} - 9 Od 0 {7,D} - 10 Od 0 {8,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cdd 0 {4,D} {9,D} - 8 Cdd 0 {5,D} {10,D} - 9 Od 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cdd 0 {4,D} {9,D} - 8 Cdd 0 {5,D} {10,D} - 9 C 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - 8 Cdd 0 {5,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cdd 0 {3,D} {9,D} - 7 Cdd 0 {4,D} {10,D} - 8 Cdd 0 {5,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 Od 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cdd 0 {3,D} {9,D} - 7 Cdd 0 {4,D} {10,D} - 8 Cdd 0 {5,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cdd 0 {3,D} {9,D} - 7 Cdd 0 {4,D} {10,D} - 8 Cdd 0 {5,D} {11,D} - 9 Od 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cdd 0 {3,D} {9,D} - 7 Cdd 0 {4,D} {10,D} - 8 Cdd 0 {5,D} {11,D} - 9 C 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)(Cds-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Cd 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - 9 Cd 0 {5,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - 9 Cdd 0 {5,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - 9 Cdd 0 {5,D} {10,D} - 10 Od 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - 9 Cdd 0 {5,D} {10,D} - 10 C 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} - 9 Cdd 0 {5,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {10,D} - 9 Cdd 0 {5,D} {11,D} - 10 Od 0 {8,D} - 11 Od 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {10,D} - 9 Cdd 0 {5,D} {11,D} - 10 Od 0 {8,D} - 11 C 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {10,D} - 9 Cdd 0 {5,D} {11,D} - 10 C 0 {8,D} - 11 C 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - 9 Cdd 0 {5,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Cdd 0 {5,D} {12,D} - 10 Od 0 {7,D} - 11 Od 0 {8,D} - 12 Od 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Cdd 0 {5,D} {12,D} - 10 Od 0 {7,D} - 11 Od 0 {8,D} - 12 C 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Cdd 0 {5,D} {12,D} - 10 Od 0 {7,D} - 11 C 0 {8,D} - 12 C 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Cdd 0 {5,D} {12,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - 12 C 0 {9,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - 9 Cdd 0 {5,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cdd 0 {2,D} {10,D} - 7 Cdd 0 {3,D} {11,D} - 8 Cdd 0 {4,D} {12,D} - 9 Cdd 0 {5,D} {13,D} - 10 Od 0 {6,D} - 11 Od 0 {7,D} - 12 Od 0 {8,D} - 13 Od 0 {9,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cdd 0 {2,D} {10,D} - 7 Cdd 0 {3,D} {11,D} - 8 Cdd 0 {4,D} {12,D} - 9 Cdd 0 {5,D} {13,D} - 10 Od 0 {6,D} - 11 Od 0 {7,D} - 12 Od 0 {8,D} - 13 C 0 {9,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cdd 0 {2,D} {10,D} - 7 Cdd 0 {3,D} {11,D} - 8 Cdd 0 {4,D} {12,D} - 9 Cdd 0 {5,D} {13,D} - 10 Od 0 {6,D} - 11 Od 0 {7,D} - 12 C 0 {8,D} - 13 C 0 {9,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cdd 0 {2,D} {10,D} - 7 Cdd 0 {3,D} {11,D} - 8 Cdd 0 {4,D} {12,D} - 9 Cdd 0 {5,D} {13,D} - 10 Od 0 {6,D} - 11 C 0 {7,D} - 12 C 0 {8,D} - 13 C 0 {9,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cdd 0 {2,D} {10,D} - 7 Cdd 0 {3,D} {11,D} - 8 Cdd 0 {4,D} {12,D} - 9 Cdd 0 {5,D} {13,D} - 10 C 0 {6,D} - 11 C 0 {7,D} - 12 C 0 {8,D} - 13 C 0 {9,D} - - Cs-CtCdsCdsCds - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 {Cd,CO} 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Ct 0 {1,S} - 6 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {4,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 Od 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Od 0 {7,D} - 10 Od 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Od 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 C 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 Od 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 C 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-CbCdsCdsCds - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 {Cd,CO} 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 Cb 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} - 5 Cb 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cb 0 {1,S} - 6 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {4,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Cb 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Cb 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 Od 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Od 0 {7,D} - 10 Od 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Od 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 C 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 Od 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 C 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-CtCtCdsCds - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 {Cd,CO} 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CbCtCdsCds - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 {Cd,CO} 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CbCbCdsCds - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 {Cd,CO} 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCtCtCds - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 {Cd,CO} 0 {1,S} - - Cs-(Cds-Od)CtCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Cd)CtCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Cds)CtCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CtCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCtCtCds - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 {Cd,CO} 0 {1,S} - - Cs-(Cds-Od)CbCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Cd)CbCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Cds)CbCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCbCtCds - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 {Cd,CO} 0 {1,S} - - Cs-(Cds-Od)CbCbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Cd)CbCbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - - Cs-(Cds-Cds)CbCbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbCbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCbCbCds - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 {Cd,CO} 0 {1,S} - - Cs-(Cds-Od)CbCbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - - Cs-(Cds-Cd)CbCbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - - Cs-(Cds-Cds)CbCbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbCbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - - Cs-CbCtCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - - Cs-CbCbCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - - Cs-CbCbCbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - - Cs-CbCbCbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - - Cs-CCCOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 C 0 {1,S} - 5 Os 0 {1,S} - - Cs-CsCsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-CdsCsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)CsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cd)CsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)CsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-OsCtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Os 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CbCsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-CdsCdsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCdsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)CtCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cd)CtCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)CtCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CtCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCdsCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)CbCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cd)CbCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)CbCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-CbCtCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-CbCbCsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Os 0 {1,S} - - Cs-CdsCdsCdsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 CO 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Os 0 {1,S} - 6 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Os 0 {1,S} - 6 Cdd 0 {4,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Os 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Os 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Os 0 {1,S} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 Od 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Od 0 {7,D} - 10 Od 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Od 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 C 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 Od 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 Od 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Od 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 C 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-CtCdsCdsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CbCdsCdsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCtCdsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)CtCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cd)CtCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)CtCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CtCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCtCdsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)CbCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cd)CbCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)CbCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCbCdsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 {Cd,CO} 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)CbCbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cd)CbCbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)CbCbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbCbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - - Cs-CbCtCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - - Cs-CbCbCtOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Os 0 {1,S} - - Cs-CbCbCbOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Os 0 {1,S} - - Cs-CCOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-CsCsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-CdsCsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)CsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cd)CsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)CsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CdsCdsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-CtCdsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)CtOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cd)CtOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)CtOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CtOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-CbCsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-CbCdsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)CbOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cd)CbOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)CbOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCtOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-CbCbOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-COsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-CsOsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-CdsOsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Od)OsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cd)OsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-(Cds-Cds)OsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)OsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)OsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)OsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtOsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-CbOsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-OsOsOsOs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Os 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 Os 0 {1,S} - - Cs-COsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-CsOsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsOsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)OsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)OsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)OsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)OsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)OsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)OsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtOsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-CbOsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Os 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-CCOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-CsCsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsCsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)CsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)CsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CdsCdsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Od)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cd)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)(Cds-Cds)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} {6,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cs-(Cds-Cd)(Cds-Cd)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cds)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 Od 0 {7,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Od 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-CtCdsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)CtOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)CtOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CtOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CtOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cs 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCdsOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 {Cd,CO} 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)CbOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)CbOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CbOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)CbOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCtOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCbOsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Os 0 {1,S} - 5 H 0 {1,S} - - Cs-COsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CsOsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsOsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 {Cd,CO} 0 {1,S} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Od)OsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 CO 0 {1,S} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cd)OsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)OsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)OsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Od)OsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Od 0 {6,D} - - Cs-(Cds-Cdd-Cd)OsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtOsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CbOsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Os 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cb-Ss - 1 * Cb 0 {2,S} - 2 Ss 0 {1,S} - - Cb-C=S - 1 * Cb 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Sd 0 {2,D} - - Cb-(Cds-Cdd-Sd) - 1 * Cb 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Cdd 0 {2,D} {4,D} - 4 Sd 0 {3,D} - - Ct-Ss - 1 * Ct 0 {2,S} - 2 Ss 0 {1,S} - - Ct-C=S - 1 * Ct 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Sd 0 {2,D} - - Ct-(Cds-Cdd-Sd) - 1 * Ct 0 {2,S} - 2 Cd 0 {1,S} {3,D} - 3 Cdd 0 {2,D} {4,D} - 4 Sd 0 {3,D} - - Cdd-SdSd - 1 * Cdd 0 {2,D} {3,D} - 2 Sd 0 {1,D} - 3 Sd 0 {1,D} - - Cdd-CdSd - 1 * Cdd 0 {2,D} {3,D} - 2 C 0 {1,D} - 3 Sd 0 {1,D} - - Cdd-CdsSd - 1 * Cdd 0 {2,D} {3,D} - 2 Cd 0 {1,D} - 3 Sd 0 {1,D} - - Cdd-CddSd - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} - 3 Sd 0 {1,D} - - Cdd-(Cdd-Cd)Sd - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Sd 0 {1,D} - 4 C 0 {2,D} - - Cdd-(Cdd-Sd)Sd - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Sd 0 {1,D} - 4 Sd 0 {2,D} - - Cdd-(Cdd-Sd)(Cdd-Sd) - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Cdd 0 {1,D} {5,D} - 4 Sd 0 {2,D} - 5 Sd 0 {3,D} - - Cdd-(Cdd-Sd)(Cdd-Cd) - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Cdd 0 {1,D} {5,D} - 4 Sd 0 {2,D} - 5 C 0 {3,D} - - Cdd-(Cdd-Sd)Cds - 1 * Cdd 0 {2,D} {3,D} - 2 Cdd 0 {1,D} {4,D} - 3 Cd 0 {1,D} - 4 Sd 0 {2,D} - - C=S-HH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - - C=S-SsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - - C=S-SsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - - C=S-CH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 C 0 {1,S} - 4 H 0 {1,S} - - C=S-CsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - - C=S-CdsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} - 4 H 0 {1,S} - - C=S-C=SH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Sd 0 {3,D} - - C=S-(Cds-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} - 4 H 0 {1,S} - - C=S-(Cds-Cds)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cd 0 {3,D} - - C=S-(Cds-Cdd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cdd 0 {3,D} - - C=S-(Cds-Cdd-Sd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Sd 0 {5,D} - - C=S-(Cds-Cdd-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - C=S-CtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - - C=S-CbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - - C=S-CSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 C 0 {1,S} - 4 Ss 0 {1,S} - - C=S-CsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - - C=S-CdsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - - C=S-C=SSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ss 0 {1,S} - 5 Sd 0 {3,D} - - C=S-(Cds-Cd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - - C=S-(Cds-Cds)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ss 0 {1,S} - 5 Cd 0 {3,D} - - C=S-(Cds-Cdd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ss 0 {1,S} - 5 Cdd 0 {3,D} - - C=S-(Cds-Cdd-Sd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ss 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Sd 0 {5,D} - - C=S-(Cds-Cdd-Cd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ss 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - C=S-CtSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - - C=S-CbSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - - C=S-CC - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 C 0 {1,S} - 4 C 0 {1,S} - - C=S-CsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - - C=S-CdsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - - C=S-C=SCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Sd 0 {3,D} - - C=S-(Cds-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - - C=S-(Cds-Cds)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cd 0 {3,D} - - C=S-(Cds-Cdd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cdd 0 {3,D} - - C=S-(Cds-Cdd-Sd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Sd 0 {5,D} - - C=S-(Cds-Cdd-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - C=S-CdsCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - - C=S-C=SC=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Sd 0 {3,D} - 6 Sd 0 {4,D} - - C=S-(Cds-Cd)C=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Sd 0 {4,D} - - C=S-(Cds-Cds)C=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {3,D} - 6 Sd 0 {4,D} - - C=S-(Cds-Cdd)C=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} - 6 Sd 0 {4,D} - - C=S-(Cds-Cdd-Sd)C=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {7,D} - 5 Cdd 0 {3,D} {6,D} - 6 Sd 0 {5,D} - 7 Sd 0 {4,D} - - C=S-(Cds-Cdd-Cd)C=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {7,D} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - 7 Sd 0 {4,D} - - C=S-(Cds-Cd)(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - - C=S-(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {3,D} - 6 Cd 0 {4,D} - - C=S-(Cds-Cdd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} - 6 Cd 0 {4,D} - - C=S-(Cds-Cdd-Sd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cd 0 {4,D} - 7 Sd 0 {5,D} - - C=S-(Cds-Cdd-Cd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cd 0 {4,D} - 7 C 0 {5,D} - - C=S-(Cds-Cdd)(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} - 6 Cdd 0 {4,D} - - C=S-(Cds-Cdd-Sd)(Cds-Cdd-Sd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Sd 0 {5,D} - 8 Sd 0 {6,D} - - C=S-(Cds-Cdd-Cd)(Cds-Cdd-Sd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 C 0 {5,D} - 8 Sd 0 {6,D} - - C=S-(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 C 0 {5,D} - 8 C 0 {6,D} - - C=S-CtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - - C=S-CtCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} - - C=S-CtC=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Sd 0 {4,D} - - C=S-Ct(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} - - C=S-Ct(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cd 0 {4,D} - - C=S-Ct(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} - - C=S-Ct(Cds-Cdd-Sd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 Sd 0 {5,D} - - C=S-Ct(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 C 0 {5,D} - - C=S-CtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - - C=S-CbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - - C=S-CbCds - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} - - C=S-CbC=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Sd 0 {4,D} - - C=S-Cb(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} - - C=S-Cb(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cd 0 {4,D} - - C=S-Cb(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} - - C=S-Cb(Cds-Cdd-Sd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 Sd 0 {5,D} - - C=S-Cb(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 C 0 {5,D} - - C=S-CbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - - C=S-CbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Sd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - - Cds-(Cdd-Sd)HH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - - Cds-CdSsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - - Cds-CdsSsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - - Cds-CddSsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - - Cds-(Cdd-Sd)SsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Cd)SsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - - Cds-CdSsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - - Cds-CdsSsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - - Cds-CddSsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - - Cds-(Cdd-Sd)SsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Cd)SsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 C 0 {2,D} - - Cds-CdsC=SH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Sd 0 {3,D} - - Cds-Cds(Cds-Cdd-Sd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 H 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Sd 0 {5,D} - - Cds-(Cdd-Sd)CsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)C=SH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - 6 Sd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)(Cds-Cds)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cdd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Sd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)C=SH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 Sd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Sd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - - Cds-(Cdd-Sd)CtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)CbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 Sd 0 {2,D} - - Cds-CdCS - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 C 0 {1,S} - 4 S 0 {1,S} - - Cds-CdsCsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - - Cds-CdsCdsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - - Cds-CdsC=SSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ss 0 {1,S} - 5 Sd 0 {3,D} - - Cds-Cds(Cds-Cd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - - Cds-Cds(Cds-Cds)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ss 0 {1,S} - 5 Cd 0 {3,D} - - Cds-Cds(Cds-Cdd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ss 0 {1,S} - 5 Cdd 0 {3,D} - - Cds-Cds(Cds-Cdd-Sd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ss 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Sd 0 {5,D} - - Cds-Cds(Cds-Cdd-Cd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ss 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 C 0 {5,D} - - Cds-CdsCtSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - - Cds-CdsCbSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - - Cds-CddCsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - - Cds-(Cdd-Sd)CsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Cd)CsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCdsSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - - Cds-(Cdd-Sd)C=SSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 Sd 0 {2,D} - 6 Sd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)(Cds-Cds)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 Sd 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cdd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Sd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Cd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 C 0 {2,D} - - Cds-(Cdd-Cd)(Cds-Cds)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 C 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Sd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)Ss - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-CddCtSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - - Cds-(Cdd-Sd)CtSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Cd)CtSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 C 0 {2,D} - - Cds-CddCbSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - - Cds-(Cdd-Sd)CbSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Cd)CbSs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 C 0 {2,D} - - Cds-CdsC=SCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Sd 0 {3,D} - - Cds-Cds(Cds-Cdd-Sd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cs 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Sd 0 {5,D} - - Cds-CdsC=SC=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Sd 0 {3,D} - 6 Sd 0 {4,D} - - Cds-CdsC=S(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} - 5 Sd 0 {3,D} - - Cds-CdsC=S(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {5,D} - 5 Cd 0 {4,D} - 6 Sd 0 {3,D} - - Cds-CdsC=S(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} - 6 Sd 0 {3,D} - - Cds-CdsC=S(Cds-Cdd-Sd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 Sd 0 {5,D} - 7 Sd 0 {3,D} - - Cds-CdsC=S(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {5,D} - 5 Cdd 0 {4,D} {6,D} - 6 C 0 {5,D} - 7 Sd 0 {3,D} - - Cds-Cds(Cds-Cds)(Cds-Cdd-Sd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {3,D} - 6 Cdd 0 {4,D} {7,D} - 7 Sd 0 {6,D} - - Cds-Cds(Cds-Cdd-Sd)(Cds-Cdd-Sd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Sd 0 {5,D} - 8 Sd 0 {6,D} - - Cds-Cds(Cds-Cdd-Sd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cd 0 {1,S} {6,D} - 5 Cdd 0 {3,D} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Sd 0 {5,D} - 8 C 0 {6,D} - - Cds-CdsCtC=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Sd 0 {4,D} - - Cds-Cds(Cds-Cdd-Sd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Ct 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Sd 0 {5,D} - - Cds-CdsCbC=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {5,D} - 5 Sd 0 {4,D} - - Cds-Cds(Cds-Cdd-Sd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cd 0 {1,D} - 3 Cd 0 {1,S} {5,D} - 4 Cb 0 {1,S} - 5 Cdd 0 {3,D} {6,D} - 6 Sd 0 {5,D} - - Cds-(Cdd-Sd)CsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)C=SCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Sd 0 {2,D} - 6 Sd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)(Cds-Cds)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Sd 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cdd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Sd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Sd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - - Cds-(Cdd-Sd)C=SC=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Sd 0 {3,D} - 7 Sd 0 {4,D} - - Cds-(Cdd-Sd)(Cds-Cd)C=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 Sd 0 {2,D} - 6 Sd 0 {4,D} - - Cds-(Cdd-Sd)(Cds-Cds)C=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Cd 0 {3,D} - 7 Sd 0 {4,D} - - Cds-(Cdd-Sd)(Cds-Cdd)C=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} - 7 Sd 0 {4,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Sd)C=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {8,D} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {4,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Cd)C=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {8,D} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {4,D} - - Cds-(Cdd-Sd)(Cds-Cd)(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - - Cds-(Cdd-Sd)(Cds-Cdd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Sd 0 {6,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - - Cds-(Cdd-Sd)(Cds-Cdd)(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cds-(Cdd-Cd)C=SC=S - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Sd 0 {3,D} - 7 Sd 0 {4,D} - - Cds-(Cdd-Cd)C=S(Cds-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} - 5 C 0 {2,D} - 6 Sd 0 {3,D} - - Cds-(Cdd-Cd)C=S(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {6,D} - 5 C 0 {2,D} - 6 Cd 0 {4,D} - 7 Sd 0 {3,D} - - Cds-(Cdd-Cd)C=S(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {6,D} - 5 C 0 {2,D} - 6 Cdd 0 {4,D} - 7 Sd 0 {3,D} - - Cds-(Cdd-Cd)C=S(Cds-Cdd-Sd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 C 0 {2,D} - 6 Cdd 0 {4,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {3,D} - - Cds-(Cdd-Cd)C=S(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 C 0 {2,D} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {3,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Sd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Sd 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Sd)(Cds-Cdd-Sd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Sd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cds-(Cdd-Sd)CtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)C=SCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Sd 0 {2,D} - 6 Sd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)(Cds-Cds)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Sd 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cdd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Sd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Sd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - - Cds-(Cdd-Sd)CtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)CbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)C=SCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Sd 0 {2,D} - 6 Sd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)(Cds-Cds)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Sd 0 {2,D} - 6 Cd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cdd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Sd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - - Cds-(Cdd-Sd)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Sd 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Sd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 C 0 {2,D} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - - Cds-(Cdd-Sd)CbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Sd 0 {2,D} - - Cds-(Cdd-Sd)CbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 Cdd 0 {1,D} {5,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Sd 0 {2,D} - - Cs-C=SHHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)HHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-SsHHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ss 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-SsSsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ss 0 {1,S} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-SsSsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ss 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-C=SCsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SC=SHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)HH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-C=SCtHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CtHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SCbHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SCsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CsCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SC=SCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-C=SCtCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CtCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SCbCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbCsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SC=SC=SH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - 8 Sd 0 {4,D} - - Cs-C=SC=S(Cds-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cd 0 {4,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Sd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)(Cds-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Sd 0 {6,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cds)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cdd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 Sd 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Sd 0 {7,D} - 10 Sd 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Sd 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 Sd 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-C=SC=SCtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CtH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-C=SC=SCbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CbH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCtC=SH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Sd 0 {4,D} - - Cs-CtCt(Cds-Cdd-Sd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Sd 0 {6,D} - - Cs-CbCtC=SH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Sd 0 {4,D} - - Cs-CbCt(Cds-Cdd-Sd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Sd 0 {6,D} - - Cs-CbCbC=SH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Sd 0 {4,D} - - Cs-CbCb(Cds-Cdd-Sd)H - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} {6,D} - 5 H 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SCsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CsCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SC=SCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-C=SCtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SCbCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SC=SC=SCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - 8 Sd 0 {4,D} - - Cs-C=SC=S(Cds-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 Cs 0 {1,S} - 6 Cd 0 {4,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {4,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Sd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)(Cds-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Sd 0 {6,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cds)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cdd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 Sd 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Sd 0 {7,D} - 10 Sd 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Sd 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 Sd 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-C=SC=SCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-C=SC=SCbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-C=SCtCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CtCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SCbCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbCtCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SCbCbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbCbCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cs 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SC=SC=SC=S - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - 8 Sd 0 {4,D} - 9 Sd 0 {5,D} - - Cs-C=SC=SC=S(Cds-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - 8 Sd 0 {4,D} - - Cs-C=SC=SC=S(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {9,D} - 5 Cd 0 {1,S} {6,D} - 6 Cd 0 {5,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - 9 Sd 0 {4,D} - - Cs-C=SC=SC=S(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {9,D} - 5 Cd 0 {1,S} {6,D} - 6 Cdd 0 {5,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - 9 Sd 0 {4,D} - - Cs-C=SC=SC=S(Cds-Cdd-Sd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {10,D} - 5 Cd 0 {1,S} {6,D} - 6 Cdd 0 {5,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - 10 Sd 0 {4,D} - - Cs-C=SC=SC=S(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {10,D} - 5 Cd 0 {1,S} {6,D} - 6 Cdd 0 {5,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - 10 Sd 0 {4,D} - - Cs-C=SC=S(Cds-Cd)(Cds-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} - 5 Cd 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cds)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cd 0 {4,D} - 7 Cd 0 {5,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} - 7 Cd 0 {5,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Sd)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {10,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Cd 0 {5,D} - 8 Sd 0 {6,D} - 9 Sd 0 {2,D} - 10 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Cd)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {10,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Cd 0 {5,D} - 8 C 0 {6,D} - 9 Sd 0 {2,D} - 10 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} - 7 Cdd 0 {5,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Sd)(Cds-Cdd-Sd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {11,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Cdd 0 {5,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - 10 Sd 0 {2,D} - 11 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Sd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {11,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Cdd 0 {5,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - 11 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {11,D} - 4 Cd 0 {1,S} {6,D} - 5 Cd 0 {1,S} {7,D} - 6 Cdd 0 {4,D} {8,D} - 7 Cdd 0 {5,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - 11 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)(Cds-Cd)(Cds-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Cd 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cds)(Cds-Cds) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Cd 0 {5,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cds)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Cdd 0 {5,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Cdd 0 {5,D} {9,D} - 9 Sd 0 {8,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Cdd 0 {5,D} {9,D} - 9 C 0 {8,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cdd)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cdd 0 {4,D} - 8 Cdd 0 {5,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {11,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cdd 0 {4,D} {9,D} - 8 Cdd 0 {5,D} {10,D} - 9 Sd 0 {7,D} - 10 Sd 0 {8,D} - 11 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {11,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cdd 0 {4,D} {9,D} - 8 Cdd 0 {5,D} {10,D} - 9 Sd 0 {7,D} - 10 C 0 {8,D} - 11 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {11,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cd 0 {3,D} - 7 Cdd 0 {4,D} {9,D} - 8 Cdd 0 {5,D} {10,D} - 9 C 0 {7,D} - 10 C 0 {8,D} - 11 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - 8 Cdd 0 {5,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {12,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cdd 0 {3,D} {9,D} - 7 Cdd 0 {4,D} {10,D} - 8 Cdd 0 {5,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 Sd 0 {8,D} - 12 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {12,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cdd 0 {3,D} {9,D} - 7 Cdd 0 {4,D} {10,D} - 8 Cdd 0 {5,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 C 0 {8,D} - 12 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {12,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cdd 0 {3,D} {9,D} - 7 Cdd 0 {4,D} {10,D} - 8 Cdd 0 {5,D} {11,D} - 9 Sd 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - 12 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {12,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cd 0 {1,S} {8,D} - 6 Cdd 0 {3,D} {9,D} - 7 Cdd 0 {4,D} {10,D} - 8 Cdd 0 {5,D} {11,D} - 9 C 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - 12 Sd 0 {2,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - 9 Cdd 0 {5,D} {10,D} - 10 Sd 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {10,D} - 9 Cdd 0 {5,D} {11,D} - 10 Sd 0 {8,D} - 11 Sd 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {10,D} - 9 Cdd 0 {5,D} {11,D} - 10 Sd 0 {8,D} - 11 C 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Cdd 0 {5,D} {12,D} - 10 Sd 0 {7,D} - 11 Sd 0 {8,D} - 12 Sd 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Cdd 0 {5,D} {12,D} - 10 Sd 0 {7,D} - 11 Sd 0 {8,D} - 12 C 0 {9,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Cdd 0 {5,D} {12,D} - 10 Sd 0 {7,D} - 11 C 0 {8,D} - 12 C 0 {9,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cdd 0 {2,D} {10,D} - 7 Cdd 0 {3,D} {11,D} - 8 Cdd 0 {4,D} {12,D} - 9 Cdd 0 {5,D} {13,D} - 10 Sd 0 {6,D} - 11 Sd 0 {7,D} - 12 Sd 0 {8,D} - 13 Sd 0 {9,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cdd 0 {2,D} {10,D} - 7 Cdd 0 {3,D} {11,D} - 8 Cdd 0 {4,D} {12,D} - 9 Cdd 0 {5,D} {13,D} - 10 Sd 0 {6,D} - 11 Sd 0 {7,D} - 12 Sd 0 {8,D} - 13 C 0 {9,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cdd 0 {2,D} {10,D} - 7 Cdd 0 {3,D} {11,D} - 8 Cdd 0 {4,D} {12,D} - 9 Cdd 0 {5,D} {13,D} - 10 Sd 0 {6,D} - 11 Sd 0 {7,D} - 12 C 0 {8,D} - 13 C 0 {9,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cd 0 {1,S} {9,D} - 6 Cdd 0 {2,D} {10,D} - 7 Cdd 0 {3,D} {11,D} - 8 Cdd 0 {4,D} {12,D} - 9 Cdd 0 {5,D} {13,D} - 10 Sd 0 {6,D} - 11 C 0 {7,D} - 12 C 0 {8,D} - 13 C 0 {9,D} - - Cs-C=SC=SC=SCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - 8 Sd 0 {4,D} - - Cs-C=SC=S(Cds-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} - 5 Ct 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 Ct 0 {1,S} - 6 Cd 0 {4,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {4,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Sd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)(Cds-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Ct 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Sd 0 {6,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cds)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cdd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 Sd 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Sd 0 {7,D} - 10 Sd 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Sd 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 Sd 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-C=SC=SC=SCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - 8 Sd 0 {4,D} - - Cs-C=SC=S(Cds-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} - 5 Cb 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 Cb 0 {1,S} - 6 Cd 0 {4,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {4,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Sd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)(Cds-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Cb 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Sd 0 {6,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cds)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cdd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 Sd 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Sd 0 {7,D} - 10 Sd 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Sd 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 Sd 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-C=SC=SCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-C=SC=SCbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-C=SC=SCbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-C=SCtCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CtCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SCbCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbCtCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SCbCbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbCbCt - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ct 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-C=SCbCbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbCbCb - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Cb 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-CCCSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 C 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CsCsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CdsCsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SCsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)CsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-SsCtCsCs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ss 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Cs 0 {1,S} - - Cs-CbCsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cs 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CdsCdsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SC=SCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cd)(Cds-Cd)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCdsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SCtCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CtCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)CtCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CtCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCdsCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cd 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SCbCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CbCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)CbCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CbCtCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CbCbCsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cs 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CdsCdsCdsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SC=SC=SSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - 8 Sd 0 {4,D} - - Cs-C=SC=S(Cds-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cds)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 Ss 0 {1,S} - 6 Cd 0 {4,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {8,D} - 4 Cd 0 {1,S} {6,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {4,D} - 7 Sd 0 {2,D} - 8 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Sd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=SC=S(Cds-Cdd-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {9,D} - 4 Cd 0 {1,S} {6,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {4,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - 9 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)(Cds-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)(Cds-Cds)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ss 0 {1,S} - 6 Cd 0 {3,D} - 7 Cd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cds)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cds)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 Sd 0 {6,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cds)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {9,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cd 0 {4,D} - 8 C 0 {6,D} - 9 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)(Cds-Cdd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} - 7 Cdd 0 {4,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {10,D} - 3 Cd 0 {1,S} {6,D} - 4 Cd 0 {1,S} {7,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {8,D} - 7 Cdd 0 {4,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - 10 Sd 0 {2,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 Sd 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - 8 Cdd 0 {4,D} {9,D} - 9 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Sd 0 {7,D} - 10 Sd 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 Sd 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cdd 0 {3,D} {9,D} - 8 Cdd 0 {4,D} {10,D} - 9 C 0 {7,D} - 10 C 0 {8,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - 8 Cdd 0 {4,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 Sd 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 Sd 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 Sd 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ss - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cd 0 {1,S} {8,D} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {9,D} - 7 Cdd 0 {3,D} {10,D} - 8 Cdd 0 {4,D} {11,D} - 9 C 0 {6,D} - 10 C 0 {7,D} - 11 C 0 {8,D} - - Cs-CtCdsCdsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SC=SCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cd)(Cds-Cd)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CbCdsCdsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cd 0 {1,S} - 4 Cd 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SC=SCbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cd)(Cds-Cd)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCtCdsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SCtCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CtCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)CtCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CtCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCtCdsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Cd 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SCbCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CbCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)CbCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCbCdsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cd 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SCbCbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CbCbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)CbCbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbCbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbCbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CbCtCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CbCbCtSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Ct 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CbCbCbSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Cb 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CCSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CsCsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CdsCsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SCsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)CsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CdsCdsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SC=SSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cd)(Cds-Cd)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)SsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CtCdsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SCtSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CtSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)CtSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CtSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CbCsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CbCdsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SCbSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CbSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)CbSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCtSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CbCbSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CSsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CsSsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CdsSsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-C=SSsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)SsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-(Cds-Cds)SsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)SsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)SsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)SsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtSsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CbSsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-SsSsSsSs - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ss 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 Ss 0 {1,S} - - Cs-CSsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CsSsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsSsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-C=SSsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)SsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)SsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)SsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)SsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)SsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtSsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CbSsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ss 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CCSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CsCsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsCsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-C=SCsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CdsCdsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-C=SC=SSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - 7 Sd 0 {3,D} - - Cs-C=S(Cds-Cd)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-C=S(Cds-Cds)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {7,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} - 7 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Sd)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 Sd 0 {6,D} - 8 Sd 0 {2,D} - - Cs-C=S(Cds-Cdd-Cd)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {8,D} - 3 Cd 0 {1,S} {6,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {3,D} {7,D} - 7 C 0 {6,D} - 8 Sd 0 {2,D} - - Cs-(Cds-Cd)(Cds-Cd)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)(Cds-Cds)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd)(Cds-Cds)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cd 0 {3,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cds)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cd 0 {3,D} - 8 C 0 {6,D} - - Cs-(Cds-Cdd)(Cds-Cdd)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - 7 Cdd 0 {3,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 Sd 0 {7,D} - - Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 Sd 0 {6,D} - 9 C 0 {7,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)SsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cd 0 {1,S} {7,D} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {8,D} - 7 Cdd 0 {3,D} {9,D} - 8 C 0 {6,D} - 9 C 0 {7,D} - - Cs-CtCsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CtCdsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-C=SCtSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CtSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CtSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CtSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CtSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CtSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtCtSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cs 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCdsSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cd 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-C=SCbSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)CbSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)CbSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)CbSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)CbSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CbCtSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ct 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CbCbSsH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - 4 Ss 0 {1,S} - 5 H 0 {1,S} - - Cs-CSsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CsSsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cs 0 {1,S} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CdsSsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-C=SSsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Sd 0 {2,D} - - Cs-(Cds-Cd)SsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-(Cds-Cds)SsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cd 0 {2,D} - - Cs-(Cds-Cdd)SsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} - - Cs-(Cds-Cdd-Sd)SsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 Sd 0 {6,D} - - Cs-(Cds-Cdd-Cd)SsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cd 0 {1,S} {6,D} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 Cdd 0 {2,D} {7,D} - 7 C 0 {6,D} - - Cs-CtSsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Ct 0 {1,S} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CbSsHH - 1 * Cs 0 {2,S} {3,S} {4,S} {5,S} - 2 Cb 0 {1,S} - 3 Ss 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - -////////////////////////////////////////////////////////////////// -// Oxygen adjacency List -////////////////////////////////////////////////////////////////// - - O // L1 Node - 1 * O 0 - - Od // L2 Node - 1 * Od 0 - - Od-Cd // This group is not defined here. C should be the central atom. - 1 * Od 0 {2,D} - 2 {Cd,CO} 0 {1,D} - - Od-Od - 1 * Od 0 {2,D} - 2 Od 0 {1,D} - - Os // L2 Node - 1 * Os 0 - - Os-HH - 1 * Os 0 {2,S} {3,S} - 2 H 0 {1,S} - 3 H 0 {1,S} - - Os-OsH - 1 * Os 0 {2,S} {3,S} - 2 Os 0 {1,S} - 3 H 0 {1,S} - - Os-OsOs - 1 * Os 0 {2,S} {3,S} - 2 Os 0 {1,S} - 3 Os 0 {1,S} - - Os-CH - 1 * Os 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 H 0 {1,S} - - Os-CtH - 1 * Os 0 {2,S} {3,S} - 2 Ct 0 {1,S} - 3 H 0 {1,S} - - Os-CdsH - 1 * Os 0 {2,S} {3,S} - 2 {Cd,CO} 0 {1,S} - 3 H 0 {1,S} - - Os-(Cds-Od)H - 1 * Os 0 {2,S} {3,S} - 2 CO 0 {1,S} - 3 H 0 {1,S} - - Os-(Cds-Cd)H - 1 * Os 0 {2,S} {3,S} - 2 Cd 0 {1,S} - 3 H 0 {1,S} - - Os-CsH - 1 * Os 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 H 0 {1,S} - - Os-CbH - 1 * Os 0 {2,S} {3,S} - 2 Cb 0 {1,S} - 3 H 0 {1,S} - - Os-OsC - 1 * Os 0 {2,S} {3,S} - 2 Os 0 {1,S} - 3 C 0 {1,S} - - Os-OsCt - 1 * Os 0 {2,S} {3,S} - 2 Os 0 {1,S} - 3 Ct 0 {1,S} - - Os-OsCds - 1 * Os 0 {2,S} {3,S} - 2 Os 0 {1,S} - 3 {Cd,CO} 0 {1,S} - - Os-Os(Cds-Od) - 1 * Os 0 {2,S} {3,S} - 2 Os 0 {1,S} - 3 CO 0 {1,S} - - Os-Os(Cds-Cd) - 1 * Os 0 {2,S} {3,S} - 2 Os 0 {1,S} - 3 Cd 0 {1,S} - - Os-OsCs - 1 * Os 0 {2,S} {3,S} - 2 Os 0 {1,S} - 3 Cs 0 {1,S} - - Os-OsCb - 1 * Os 0 {2,S} {3,S} - 2 Os 0 {1,S} - 3 Cb 0 {1,S} - - Os-CC - 1 * Os 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - - Os-CtCt - 1 * Os 0 {2,S} {3,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - - Os-CtCds - 1 * Os 0 {2,S} {3,S} - 2 Ct 0 {1,S} - 3 {Cd,CO} 0 {1,S} - - Os-Ct(Cds-Od) - 1 * Os 0 {2,S} {3,S} - 2 Ct 0 {1,S} - 3 CO 0 {1,S} - - Os-Ct(Cds-Cd) - 1 * Os 0 {2,S} {3,S} - 2 Ct 0 {1,S} - 3 Cd 0 {1,S} - - Os-CtCs - 1 * Os 0 {2,S} {3,S} - 2 Ct 0 {1,S} - 3 Cs 0 {1,S} - - Os-CtCb - 1 * Os 0 {2,S} {3,S} - 2 Ct 0 {1,S} - 3 Cb 0 {1,S} - - Os-CdsCds - 1 * Os 0 {2,S} {3,S} - 2 {Cd,CO} 0 {1,S} - 3 {Cd,CO} 0 {1,S} - - Os-(Cds-Od)(Cds-Od) - 1 * Os 0 {2,S} {3,S} - 2 CO 0 {1,S} - 3 CO 0 {1,S} - - Os-(Cds-Od)(Cds-Cd) - 1 * Os 0 {2,S} {3,S} - 2 CO 0 {1,S} - 3 Cd 0 {1,S} - - Os-(Cds-Cd)(Cds-Cd) - 1 * Os 0 {2,S} {3,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - - Os-CdsCs - 1 * Os 0 {2,S} {3,S} - 2 {Cd,CO} 0 {1,S} - 3 Cs 0 {1,S} - - Os-Cs(Cds-Od) - 1 * Os 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 CO 0 {1,S} - - Os-Cs(Cds-Cd) - 1 * Os 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 Cd 0 {1,S} - - Os-CdsCb - 1 * Os 0 {2,S} {3,S} - 2 {Cd,CO} 0 {1,S} - 3 Cb 0 {1,S} - - Os-Cb(Cds-Od) - 1 * Os 0 {2,S} {3,S} - 2 Cb 0 {1,S} - 3 CO 0 {1,S} - - Os-Cb(Cds-Cd) - 1 * Os 0 {2,S} {3,S} - 2 Cb 0 {1,S} - 3 Cd 0 {1,S} - - Os-CsCs - 1 * Os 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - - Os-CsCb - 1 * Os 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 Cb 0 {1,S} - - Os-CbCb - 1 * Os 0 {2,S} {3,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - -////////////////////////////////////////////////////////////////// -// Sulfur adjacency List -////////////////////////////////////////////////////////////////// - - S // L1 Node - 1 * S 0 - - Sd // L2 Node - 1 * Sd 0 - - Sd-Cd // This group is not defined here. C should be the central atom. - 1 * Sd 0 {2,D} - 2 Cd 0 {1,D} - - Sd-Sd - 1 * Sd 0 {2,D} - 2 Sd 0 {1,D} - - Ss // L2 Node - 1 * Ss 0 - - Ss-HH // L3 Node - 1 * Ss 0 {2,S} {3,S} - 2 H 0 {1,S} - 3 H 0 {1,S} - - Ss-CH - 1 * Ss 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 H 0 {1,S} - - Ss-CsH // L4 Node - 1 * Ss 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 H 0 {1,S} - - Ss-CdH - 1 * Ss 0 {2,S} {3,S} - 2 Cd 0 {1,S} - 3 H 0 {1,S} - - Ss-C=SH // L5 Node - 1 * Ss 0 {2,S} {3,S} - 2 Cd 0 {1,S} {4,D} - 3 H 0 {1,S} - 4 Sd 0 {2,D} - - Ss-CtH - 1 * Ss 0 {2,S} {3,S} - 2 Ct 0 {1,S} - 3 H 0 {1,S} - - Ss-CbH - 1 * Ss 0 {2,S} {3,S} - 2 Cb 0 {1,S} - 3 H 0 {1,S} - - Ss-SsH - 1 * Ss 0 {2,S} {3,S} - 2 Ss 0 {1,S} - 3 H 0 {1,S} - - Ss-SsSs - 1 * Ss 0 {2,S} {3,S} - 2 Ss 0 {1,S} - 3 Ss 0 {1,S} - - Ss-SsC // L3 Node - 1 * Ss 0 {2,S} {3,S} - 2 Ss 0 {1,S} - 3 C 0 {1,S} - - Ss-SsCs - 1 * Ss 0 {2,S} {3,S} - 2 Ss 0 {1,S} - 3 Cs 0 {1,S} - - Ss-SsCd - 1 * Ss 0 {2,S} {3,S} - 2 Ss 0 {1,S} - 3 Cd 0 {1,S} - - Ss-C=SSs - 1 * Ss 0 {2,S} {3,S} - 2 Ss 0 {1,S} - 3 Cd 0 {1,S} {4,D} - 4 Sd 0 {3,D} - - Ss-SsCt - 1 * Ss 0 {2,S} {3,S} - 2 Ss 0 {1,S} - 3 Ct 0 {1,S} - - Ss-SsCb - 1 * Ss 0 {2,S} {3,S} - 2 Ss 0 {1,S} - 3 Cb 0 {1,S} - - Ss-CC - 1 * Ss 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - - Ss-CsCs - 1 * Ss 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 Cs 0 {1,S} - - Ss-CsCd - 1 * Ss 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 Cd 0 {1,S} - - Ss-C=SCs - 1 * Ss 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 Cd 0 {1,S} {4,D} - 4 Sd 0 {3,D} - - Ss-CsCt - 1 * Ss 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 Ct 0 {1,S} - - Ss-CsCb - 1 * Ss 0 {2,S} {3,S} - 2 Cs 0 {1,S} - 3 Cb 0 {1,S} - - Ss-CdCd - 1 * Ss 0 {2,S} {3,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} - - Ss-C=SCd - 1 * Ss 0 {2,S} {3,S} - 2 Cd 0 {1,S} - 3 Cd 0 {1,S} {4,D} - 4 Sd 0 {3,D} - - Ss-C=SC=S - 1 * Ss 0 {2,S} {3,S} - 2 Cd 0 {1,S} {4,D} - 3 Cd 0 {1,S} {5,D} - 4 Sd 0 {2,D} - 5 Sd 0 {3,D} - - Ss-CdCt - 1 * Ss 0 {2,S} {3,S} - 2 Cd 0 {1,S} - 3 CO 0 {1,S} - - Ss-C=SCt - 1 * Ss 0 {2,S} {3,S} - 2 Cd 0 {1,S} {4,D} - 3 Ct 0 {1,S} - 4 Sd 0 {2,D} - - Ss-CdCb - 1 * Ss 0 {2,S} {3,S} - 2 Cd 0 {1,S} - 3 Cb 0 {1,S} - - Ss-C=SCb - 1 * Ss 0 {2,S} {3,S} - 2 Cd 0 {1,S} {4,D} - 3 Cb 0 {1,S} - 4 Sd 0 {2,D} - - Ss-CtCt - 1 * Ss 0 {2,S} {3,S} - 2 Ct 0 {1,S} - 3 Ct 0 {1,S} - - Ss-CtCb - 1 * Ss 0 {2,S} {3,S} - 2 Ct 0 {1,S} - 3 Cb 0 {1,S} - - Ss-CbCb - 1 * Ss 0 {2,S} {3,S} - 2 Cb 0 {1,S} - 3 Cb 0 {1,S} - diff --git a/output/RMG_database_sulfur/thermo_groups/Group_Library.txt b/output/RMG_database_sulfur/thermo_groups/Group_Library.txt deleted file mode 100644 index 8d09cf6930..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Group_Library.txt +++ /dev/null @@ -1,1219 +0,0 @@ -//# Group H S Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 dH dS dCp Note -// unit -// H: kcal/mole -// S and Cp: cal/mole/K - -1 C Cs-CsCsCsCs -2 Cbf Cbf-CbCbCbf -3 Cbf-CbCbCbf 4.80 -5.0 3.01 3.68 4.2 4.61 5.2 5.7 6.2 0.17 0.1 0.1 "Cbf-CbfCbCb STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -4 Cbf-CbCbfCbf 3.70 -5.0 3.01 3.68 4.2 4.61 5.2 5.7 6.2 0.3 0.15 0.15 "Cbf-CbfCbfCb STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -5 Cbf-CbfCbfCbf 1.5 1.8 2.0 3.11 3.9 4.42 5.0 5.3 5.7 0.3 0.15 0.15 "Cbf-CbfCbfCbf STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -6 Cb Cb-Cs -7 Cb-H 3.30 11.53 3.24 4.44 5.46 6.3 7.54 8.41 9.73 0.11 0.12 0.1 Cb-H BENSON -8 Cb-Os -0.9 -10.2 3.9 5.3 6.2 6.6 6.9 6.9 7.07 0.16 0.1 0.1 Cb-O BENSON Cp1500=3D Cp1000*(Cp1500/Cp1000: Cb/Cd) -9 Cb-C Cb-Cs -10 Cb-Cs 5.51 -7.69 2.67 3.14 3.68 4.15 4.96 5.44 5.98 0.13 0.1 0.07 Cb-Cs BENSON -11 Cb-Cds Cb-(Cds-Cds) -12 Cb-(Cds-Od) 3.69 -7.8 3.59 3.97 4.38 4.72 5.28 5.61 5.75 0.2 0.1 0.1 "Enthalpy from Cb-CO, entropies and heat capacities assigned value of Cb-Cd" -13 Cb-(Cds-Cd) Cb-(Cds-Cds) -14 Cb-(Cds-Cds) 5.69 -7.8 3.59 3.97 4.38 4.72 5.28 5.61 5.75 0.2 0.1 0.1 "Cb-Cd STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -15 Cb-(Cds-Cdd) Cb-(Cds-Cdd-Cd) -16 Cb-(Cds-Cdd-Od) Cb-(Cds-Cds) -17 Cb-(Cds-Cdd-Cd) Cb-(Cds-Cds) -18 Cb-Ct 5.69 -7.8 3.59 3.97 4.38 4.72 5.28 5.61 5.75 0.3 0.15 0.15 "Cb-Ct STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -19 Cb-Cb 4.96 -8.64 3.33 4.22 4.89 5.27 5.76 5.95 6.05 0.3 0.15 0.15 Cb-Cb BENSON -20 Ct Ct-Cs -21 Ct-H 26.93 24.7 5.28 5.99 6.49 6.87 7.47 7.96 8.85 0.05 0.07 0.07 "Ct-H STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -22 Ct-Os 31.40 4.91 3.64 4.39 4.85 5.63 5.66 5.73 5.73 0.27 0.09 0.1 Ct-O MELIUS / hc#coh !!!WARNING! Cp1500 value taken as Cp1000 -23 Ct-C Ct-Cs -24 Ct-Cs 27.55 6.35 3.13 3.48 3.81 4.09 4.6 4.92 6.35 0.27 0.09 0.1 "Ct-Cs STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -25 Ct-Cds Ct-(Cds-Cds) -26 Ct-(Cds-Od) Ct-Cs -27 Ct-(Cds-Cd) Ct-(Cds-Cds) -28 Ct-(Cds-Cds) 28.20 6.43 2.57 3.54 3.5 4.92 5.34 5.5 5.8 0.27 0.09 0.1 "Ct-Cd STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -29 Ct-(Cds-Cdd) Ct-(Cds-Cdd-Cd) -30 Ct-(Cds-Cdd-Od) Ct-(Cds-Cds) -31 Ct-(Cds-Cdd-Cd) Ct-(Cds-Cds) -32 Ct-Ct 25.60 5.88 3.54 4.06 4.4 4.64 5 5.23 5.57 0.27 0.09 0.1 "Ct-Ct STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -33 Ct-Cb 24.67 6.43 2.57 3.54 4.5 4.92 5.34 5.5 5.8 0.27 0.09 0.1 "Ct-Cb STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -34 Cdd Cdd-CdsCds -35 Cdd-OdOd -94.05 52.46 8.91 9.86 10.65 11.31 12.32 12.99 13.93 0.03 0.002 0 CHEMKIN DATABASE: S(group) = S(CO2) + Rln(2) -36 Cdd-CdOd Cdd-CdsOd -37 Cdd-CdsOd 0 0 0 0 0 0 0 0 0 0 0 0 "O=C*=C< currently treat the adjacent C as Ck" -38 Cdd-CddOd Cdd-(Cdd-Cd)Od -39 Cdd-(Cdd-Cd)Od Cdd-CdsOd O=C*=C= currently not defined. Assigned same value as Ca -40 Cdd-(Cdd-Od)Od Cdd-CdsOd -41 Cdd-CdCd Cdd-CdsCds -42 Cdd-CddCdd Cdd-(Cdd-Cd)(Cdd-Cd) -43 Cdd-(Cdd-Od)(Cdd-Od) Cdd-CdsCds "O=C=C*=C=O, currently not defined. Assigned same value as Ca" -44 Cdd-(Cdd-Od)(Cdd-Cd) Cdd-(Cdd-Od)Cds "O=C=C*=C=C, currently not defined. Assigned same value as Ca" -45 Cdd-(Cdd-Cd)(Cdd-Cd) Cdd-CdsCds "C=C=C*=C=C, currently not defined. Assigned same value as Ca" -46 Cdd-CddCds Cdd-(Cdd-Cd)(Cdd-Cd) -47 Cdd-(Cdd-Od)Cds Cdd-CdsCds "O=C=C*=C<, currently not defined. Assigned same value as Ca " -48 Cdd-(Cdd-Cd)Cds Cdd-CdsCds "C=C=C*=C<, currently not defined. Assigned same value as Ca " -49 Cdd-CdsCds 34.20 6.0 3.9 4.4 4.7 5 5.3 5.5 5.7 0.2 0.1 0.1 "Benson's Ca " -50 Cds Cds-CdsCsCs -51 Cds-OdHH -25.95 53.68 8.47 9.38 10.46 11.52 13.37 14.81 14.81 0.11 0.06 0.06 CO-HH BENSON !!!WARNING! Cp1500 value taken as Cp1000, S(group) = S(CH2O) + Rln(2) -52 Cds-OdOsH -32.1 34.9 7.03 7.87 8.82 9.68 11.2 12.2 12.2 0.3 0.15 0.15 CO-OH BENSON !!!WARNING! Cp1500 value taken as Cp1000 -53 Cds-OdOsOs -31.45 10.78 5.97 6.7 7.4 8.02 8.87 9.36 9.36 0.3 0.15 0.15 "CO-OO BOZZELLI 8/91, S CO/C/O, Hf PEDLEY ccoc*oocc Bsn Hf-24 !!!WARNING! Cp1500 value taken as Cp1000" -54 Cds-OdCH Cds-OdCsH -55 Cds-OdCsH -29.1 34.9 7.03 7.87 8.82 9.68 11.2 12.2 12.2 0.3 0.15 0.15 CO-CsH BENSON !!!WARNING! Cp1500 value taken as Cp1000 -56 Cds-OdCdsH Cds-Od(Cds-Cds)H -57 Cds-Od(Cds-Od)H -25.3 33.4 7.45 8.77 9.82 10.7 12.14 12.9 12.9 0.3 0.15 0.15 "CO-COH Hf BENSON S,Cp =3D CO/Cs/H-del(Cd/Cd/H-Cd/Cs/H) !!!WARNING! Cp1500 value taken as Cp1000" -58 Cds-Od(Cds-Cd)H Cds-Od(Cds-Cds)H -59 Cds-Od(Cds-Cds)H -30.9 33.4 7.45 8.77 9.82 10.7 12.14 12.9 12.9 0.3 0.15 0.15 "CO-CdH Hf BOZZELLI S,Cp =3D CO/C/H-del(cd syst) !!!WARNING! Cp1500 value taken as Cp1000" -60 Cds-Od(Cds-Cdd)H Cds-Od(Cds-Cdd-Cd)H -61 Cds-Od(Cds-Cdd-Od)H Cds-Od(Cds-Cds)H -62 Cds-Od(Cds-Cdd-Cd)H Cds-Od(Cds-Cds)H -63 Cds-OdCtH Cds-Od(Cds-Cds)H -64 Cds-OdCbH Cds-Od(Cds-Cds)H -65 Cds-OdCOs Cds-OdCsOs -66 Cds-OdCsOs -35.1 10.04 6.1 6.7 7.4 8.02 8.87 9.36 9.36 0.3 0.15 0.15 CO-OCs Hf BENSON S STULL !!!WARNING! Cp1500 value taken as Cp1000 -67 Cds-OdCdsOs Cds-Od(Cds-Cds)Os -68 Cds-Od(Cds-Od)Os -29.3 14.6 5.46 6.32 7.17 7.88 9 9.77 9.77 0.3 0.15 0.15 "CO-OCO Hf,S BOZZELLI Cp BENSON !!!WARNING! Cp1500 value taken as Cp1000" -69 Cds-Od(Cds-Cd)Os Cds-Od(Cds-Cds)Os -70 Cds-Od(Cds-Cds)Os -32.1 14.78 5.97 6.7 7.4 8.02 8.87 9.36 9.36 0.3 0.15 0.15 CO-OCd RPS + S Coreected !!!WARNING! Cp1500 value taken as Cp1000 -71 Cds-Od(Cds-Cdd)Os Cds-Od(Cds-Cdd-Cd)Os -72 Cds-Od(Cds-Cdd-Od)Os Cds-Od(Cds-Cds)Os -73 Cds-Od(Cds-Cdd-Cd)Os Cds-Od(Cds-Cds)Os -74 Cds-OdCtOs Cds-Od(Cds-Cds)Os -75 Cds-OdCbOs -36.6 14.78 5.97 6.7 7.4 8.02 8.87 9.36 9.36 0.3 0.15 0.15 CO-OCb RPS + S Coreected !!!WARNING! Cp1500 value taken as Cp1000 -76 Cds-OdCC Cds-OdCsCs -77 Cds-OdCsCs -31.4 15.01 5.59 6.32 7.09 7.76 8.89 9.61 9.61 0.3 0.15 0.15 CO-CsCs BENSON !!!WARNING! Cp1500 value taken as Cp1000 -78 Cds-OdCdsCs Cds-Od(Cds-Cds)Cs -79 Cds-Od(Cds-Od)Cs -29.1 14.6 5.46 6.32 7.17 7.88 9 9.77 9.77 0.3 0.15 0.15 "CO-COCs Hf,S BOZZELLI Cp BENSON !!!WARNING! Cp1500 value taken as Cp1000" -80 Cds-Od(Cds-Cd)Cs Cds-Od(Cds-Cds)Cs -81 Cds-Od(Cds-Cds)Cs -30.9 14.6 5.46 6.32 7.17 7.88 9 9.77 9.77 0.3 0.15 0.15 "CO-CdCs Hf BENSON =3D CO/Cb/C S,Cp !!!WARNING! Cp1500 value taken as Cp1000" -82 Cds-Od(Cds-Cdd)Cs Cds-Od(Cds-Cdd-Cd)Cs -83 Cds-Od(Cds-Cdd-Od)Cs Cds-Od(Cds-Cds)Cs -84 Cds-Od(Cds-Cdd-Cd)Cs Cds-Od(Cds-Cds)Cs -85 Cds-OdCdsCds Cds-Od(Cds-Cds)(Cds-Cds) -86 Cds-Od(Cds-Od)(Cds-Od) Cds-OdCsCs -87 Cds-Od(Cds-Cd)(Cds-Od) Cds-Od(Cds-Cds)(Cds-Od) -88 Cds-Od(Cds-Cds)(Cds-Od) Cds-Od(Cds-Od)Cs -89 Cds-Od(Cds-Cdd)(Cds-Od) Cds-Od(Cds-Cdd-Cd)(Cds-Od) -90 Cds-Od(Cds-Cdd-Od)(Cds-Od) Cds-Od(Cds-Cdd-Od)Cs -91 Cds-Od(Cds-Cdd-Cd)(Cds-Od) Cds-Od(Cds-Cds)(Cds-Od) -92 Cds-Od(Cds-Cd)(Cds-Cd) Cds-Od(Cds-Cds)(Cds-Cds) -93 Cds-Od(Cds-Cds)(Cds-Cds) -30.9 14.6 5.46 6.32 7.17 7.88 9 9.77 9.77 0.3 0.15 0.15 CO-CdCd Estimate BOZZELLI !!!WARNING! Cp1500 value taken as Cp1000 -94 Cds-Od(Cds-Cdd)(Cds-Cds) Cds-Od(Cds-Cdd-Cd)(Cds-Cds) -95 Cds-Od(Cds-Cdd-Od)(Cds-Cds) Cds-Od(Cds-Cdd-Od)Cs -96 Cds-Od(Cds-Cdd-Cd)(Cds-Cds) Cds-Od(Cds-Cds)(Cds-Cds) -97 Cds-Od(Cds-Cdd)(Cds-Cdd) Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Cd) -98 Cds-Od(Cds-Cdd-Od)(Cds-Cdd-Od) Cds-Od(Cds-Cds)(Cds-Cds) -99 Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Od) Cds-Od(Cds-Cdd-Od)(Cds-Cds) -100 Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cds-Od(Cds-Cds)(Cds-Cds) -101 Cds-OdCtCs Cds-Od(Cds-Cds)Cs -102 Cds-OdCtCds Cds-OdCt(Cds-Cds) -103 Cds-OdCt(Cds-Od) Cds-Od(Cds-Cds)(Cds-Od) -104 Cds-OdCt(Cds-Cd) Cds-OdCt(Cds-Cds) -105 Cds-OdCt(Cds-Cds) Cds-Od(Cds-Cds)(Cds-Cds) -106 Cds-OdCt(Cds-Cdd) Cds-OdCt(Cds-Cdd-Cd) -107 Cds-OdCt(Cds-Cdd-Od) Cds-Od(Cds-Cdd-Od)(Cds-Cds) -108 Cds-OdCt(Cds-Cdd-Cd) Cds-OdCt(Cds-Cds) -109 Cds-OdCtCt Cds-Od(Cds-Cds)(Cds-Cds) -110 Cds-OdCbCs Cds-Od(Cds-Cds)Cs -111 Cds-OdCbCds Cds-OdCb(Cds-Cds) -112 Cds-OdCb(Cds-Od) Cds-Od(Cds-Cds)(Cds-Od) -113 Cds-OdCb(Cds-Cd) Cds-OdCb(Cds-Cds) -114 Cds-OdCb(Cds-Cds) Cds-Od(Cds-Cds)(Cds-Cds) -115 Cds-OdCb(Cds-Cdd) Cds-OdCb(Cds-Cdd-Cd) -116 Cds-OdCb(Cds-Cdd-Od) Cds-Od(Cds-Cdd-Od)(Cds-Cds) -117 Cds-OdCb(Cds-Cdd-Cd) Cds-OdCb(Cds-Cds) -118 Cds-OdCbCt Cds-OdCt(Cds-Cds) -119 Cds-OdCbCb Cds-Od(Cds-Cds)(Cds-Cds) -120 Cds-CdHH Cds-CdsHH -121 Cds-CdsHH 6.26 27.61 5.1 6.36 7.51 8.5 10.07 11.27 13.19 0.19 0.1 0.07 Cd-HH BENSON -122 Cds-CddHH Cds-(Cdd-Cd)HH -123 Cds-(Cdd-Od)HH -11.34 57.47 12.08 13.91 15.40 16.64 18.61 20.10 22.47 0.19 0.1 0.07 {CCO/H2} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -124 Cds-(Cdd-Cd)HH Cds-CdsHH // Cd-CaHH -125 Cds-CdOsH Cds-CdsOsH -126 Cds-CdsOsH 2.03 6.2 4.75 6.46 7.64 8.35 9.1 9.56 10.46 0.19 0.1 0.07 "Cd-OH BOZZELLI Hf vin-oh RADOM + C/Cd/H, S&Cp LAY" -127 Cds-CddOsH Cds-(Cdd-Cd)OsH -128 Cds-(Cdd-Od)OsH 2.110 38.17 11.29 13.67 15.10 16.10 17.36 18.25 19.75 0.19 0.1 0.07 {CCO/O/H} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -129 Cds-(Cdd-Cd)OsH Cds-CdsOsH -130 Cds-CdOsOs Cds-CdsOsOs -131 Cds-CdsOsOs Cds-CdsCsCs -132 Cds-CddOsOs Cds-(Cdd-Cd)OsOs -133 Cds-(Cdd-Od)OsOs 2.403 13.42 11.56 15.58 17.69 18.67 18.78 18.40 18.01 0.19 0.1 0.07 {CCO/O2} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -134 Cds-(Cdd-Cd)OsOs Cds-CdsOsOs -135 Cds-CdCH Cds-CdsCsH -136 Cds-CdsCsH 8.59 7.97 4.16 5.03 5.81 6.5 7.65 8.45 9.62 0.17 0.1 0.06 Cd-CsH BENSON -137 Cds-CdsCdsH Cds-Cds(Cds-Cds)H -138 Cds-Cds(Cds-Od)H 4.32 6.38 4.46 5.79 6.75 7.42 8.35 9.11 10.09 0.2 0.1 0.1 "Cd-COH BOZZELLI lit rev Jul91 S,Cp Cd/Cd/H" -139 Cds-Cds(Cds-Cd)H Cds-Cds(Cds-Cds)H -140 Cds-Cds(Cds-Cds)H 6.78 6.38 4.46 5.79 6.75 7.42 8.35 8.99 9.98 0.2 0.1 0.1 Cd-CdH BENSON -141 Cds-Cds(Cds-Cdd)H Cds-Cds(Cds-Cdd-Cd)H -142 Cds-Cds(Cds-Cdd-Od)H Cds-Cds(Cds-Cds)H -143 Cds-Cds(Cds-Cdd-Cd)H Cds-Cds(Cds-Cds)H -144 Cds-CdsCtH 6.78 6.38 4.46 5.79 6.75 7.42 8.35 8.99 9.98 0.2 0.1 0.1 Cd-CtH BENSON -145 Cds-CdsCbH 6.78 6.38 4.46 5.79 6.75 7.42 8.35 8.99 9.98 0.2 0.1 0.1 Cd-CbH BENSON -146 Cds-CddCsH Cds-(Cdd-Cd)CsH -147 Cds-(Cdd-Od)CsH -4.947 40.04 10.31 11.72 12.94 13.98 15.71 16.95 18.78 0.2 0.1 0.1 {CCO/H/C} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -148 Cds-(Cdd-Cd)CsH Cds-CdsCsH -149 Cds-CddCdsH Cds-(Cdd-Cd)(Cds-Cds)H -150 Cds-(Cdd-Od)(Cds-Od)H Cds-(Cdd-Od)CsH -151 Cds-(Cdd-Od)(Cds-Cd)H Cds-(Cdd-Od)(Cds-Cds)H -152 Cds-(Cdd-Od)(Cds-Cds)H Cds-(Cdd-Od)CsH -153 Cds-(Cdd-Od)(Cds-Cdd)H Cds-(Cdd-Od)(Cds-Cdd-Cd)H -154 Cds-(Cdd-Od)(Cds-Cdd-Od)H -4.998 39.06 10.55 12.41 13.82 14.91 16.51 17.62 19.24 0.2 0.1 0.1 {CCO/H/CCO} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -155 Cds-(Cdd-Od)(Cds-Cdd-Cd)H Cds-(Cdd-Od)(Cds-Cds)H -156 Cds-(Cdd-Cd)(Cds-Od)H Cds-Cds(Cds-Od)H -157 Cds-(Cdd-Cd)(Cds-Cd)H Cds-(Cdd-Cd)(Cds-Cds)H -158 Cds-(Cdd-Cd)(Cds-Cds)H Cds-Cds(Cds-Cds)H -159 Cds-(Cdd-Cd)(Cds-Cdd)H Cds-(Cdd-Cd)(Cds-Cdd-Cd)H -160 Cds-(Cdd-Cd)(Cds-Cdd-Od)H Cds-Cds(Cds-Cdd-Od)H -161 Cds-(Cdd-Cd)(Cds-Cdd-Cd)H Cds-(Cdd-Cd)(Cds-Cds)H -162 Cds-CddCtH Cds-(Cdd-Cd)CtH -163 Cds-(Cdd-Od)CtH Cds-(Cdd-Od)(Cds-Cds)H -164 Cds-(Cdd-Cd)CtH Cds-CdsCtH -165 Cds-CddCbH Cds-(Cdd-Cd)CbH -166 Cds-(Cdd-Od)CbH Cds-(Cdd-Od)(Cds-Cds)H -167 Cds-(Cdd-Cd)CbH Cds-CdsCbH -168 Cds-CdCO Cds-CdsCsOs -169 Cds-CdsCsOs 3.03 -12.32 3.59 4.56 5.04 5.3 5.84 6.07 6.16 0.2 0.1 0.1 Cd-OCs BOZZELLI-RADOM vin-oh and del (ccoh-ccohc) -170 Cds-CdsCdsOs Cds-Cds(Cds-Cds)Os -171 Cds-Cds(Cds-Od)Os 5.13 -14.6 4.4 5.37 5.93 6.18 6.5 6.62 6.72 0.2 0.1 0.1 Cd-OCO adj BENSON for RADOM c*coh -172 Cds-Cds(Cds-Cd)Os Cds-Cds(Cds-Cds)Os -173 Cds-Cds(Cds-Cds)Os 1.5 -14.4 4.4 5.37 5.93 6.18 6.5 6.62 6.72 0.2 0.1 0.1 Cd-OCd jwb need calc -174 Cds-Cds(Cds-Cdd)Os Cds-Cds(Cds-Cdd-Cd)Os -175 Cds-Cds(Cds-Cdd-Od)Os Cds-Cds(Cds-Cds)Os -176 Cds-Cds(Cds-Cdd-Cd)Os Cds-Cds(Cds-Cds)Os -177 Cds-CdsCtOs Cds-Cds(Cds-Cds)Os -178 Cds-CdsCbOs 1.5 -14.4 4.4 5.37 5.93 6.18 6.5 6.62 6.72 0.2 0.1 0.1 Cd-OCb jwb need calc -179 Cds-CddCsOs Cds-(Cdd-Cd)CsOs -180 Cds-(Cdd-Od)CsOs 3.273 18.58 10.91 12.65 13.59 14.22 15.00 15.48 16.28 0.2 0.1 0.1 {CCO/O/C} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -181 Cds-(Cdd-Cd)CsOs Cds-CdsCsOs -182 Cds-CddCdsOs Cds-(Cdd-Cd)(Cds-Cds)Os -183 Cds-(Cdd-Od)(Cds-Od)Os Cds-(Cdd-Od)CsOs -184 Cds-(Cdd-Od)(Cds-Cd)Os Cds-(Cdd-Od)(Cds-Cds)Os -185 Cds-(Cdd-Od)(Cds-Cds)Os Cds-(Cdd-Od)CsOs -186 Cds-(Cdd-Od)(Cds-Cdd)Os Cds-(Cdd-Od)(Cds-Cdd-Cd)Os -187 Cds-(Cdd-Od)(Cds-Cdd-Od)Os 1.607 17.73 11.01 12.97 14.17 14.97 15.80 16.26 16.88 0.2 0.1 0.1 {CCO/O/CCO} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -188 Cds-(Cdd-Od)(Cds-Cdd-Cd)Os Cds-(Cdd-Od)(Cds-Cds)Os -189 Cds-(Cdd-Cd)(Cds-Cd)Os Cds-(Cdd-Cd)(Cds-Cds)Os -190 Cds-(Cdd-Cd)(Cds-Cds)Os Cds-Cds(Cds-Cds)Os -191 Cds-(Cdd-Cd)(Cds-Cdd)Os Cds-(Cdd-Cd)(Cds-Cdd-Cd)Os -192 Cds-(Cdd-Cd)(Cds-Cdd-Od)Os Cds-Cds(Cds-Cdd-Od)Os -193 Cds-(Cdd-Cd)(Cds-Cdd-Cd)Os Cds-(Cdd-Cd)(Cds-Cds)Os -194 Cds-CddCtOs Cds-(Cdd-Cd)CtOs -195 Cds-(Cdd-Od)CtOs Cds-(Cdd-Od)(Cds-Cds)Os -196 Cds-(Cdd-Cd)CtOs Cds-CdsCtOs -197 Cds-CddCbOs Cds-(Cdd-Cd)CbOs -198 Cds-(Cdd-Od)CbOs Cds-(Cdd-Od)(Cds-Cds)Os -199 Cds-(Cdd-Cd)CbOs Cds-CdsCbOs -200 Cds-CdCC Cds-CdsCsCs -201 Cds-CdsCsCs 10.34 -12.7 4.1 4.61 4.99 5.26 5.8 6.08 6.36 0.24 0.12 0.1 Cd-CsCs BENSON -202 Cds-CdsCdsCs Cds-Cds(Cds-Cds)Cs -203 Cds-Cds(Cds-Od)Cs 7.50 -14.6 4.4 5.37 5.93 6.18 6.5 6.62 6.72 0.24 0.12 0.1 "Cd-COCs BENSON Hf, Cd/C/Cd =3D S,Cp" -204 Cds-Cds(Cds-Cd)Cs Cds-Cds(Cds-Cds)Cs -205 Cds-Cds(Cds-Cds)Cs 8.88 -14.6 4.4 5.37 5.93 6.18 6.5 6.62 6.72 0.24 0.12 0.1 Cd-CdCs BENSON -206 Cds-Cds(Cds-Cdd)Cs Cds-Cds(Cds-Cdd-Cd)Cs -207 Cds-Cds(Cds-Cdd-Od)Cs Cds-Cds(Cds-Cds)Cs -208 Cds-Cds(Cds-Cdd-Cd)Cs Cds-Cds(Cds-Cds)Cs -209 Cds-CdsCdsCds Cds-Cds(Cds-Cds)(Cds-Cds) -210 Cds-Cds(Cds-Od)(Cds-Od) Cds-CdsCsCs -211 Cds-Cds(Cds-Od)(Cds-Cd) Cds-Cds(Cds-Od)(Cds-Cds) -212 Cds-Cds(Cds-Od)(Cds-Cds) 4.60 -16.5 4.7 6.13 6.87 7.1 7.2 7.16 7.06 0.24 0.12 0.1 Cd-COCd from CD/CD2/ jwb est 6/97 -213 Cds-Cds(Cds-Od)(Cds-Cdd) Cds-Cds(Cds-Od)(Cds-Cdd-Cd) -214 Cds-Cds(Cds-Od)(Cds-Cdd-Od) Cds-Cds(Cds-Cdd-Od)Cs -215 Cds-Cds(Cds-Od)(Cds-Cdd-Cd) Cds-Cds(Cds-Od)(Cds-Cds) -216 Cds-Cds(Cds-Cd)(Cds-Cd) Cds-Cds(Cds-Cds)(Cds-Cds) -217 Cds-Cds(Cds-Cds)(Cds-Cds) 4.60 -15.67 1.9 2.69 3.5 4.28 5.57 6.21 7.37 0.24 0.12 0.1 "Cd-CdCd Hf=3D est S,Cp mopac nov99" -218 Cds-Cds(Cds-Cds)(Cds-Cdd) Cds-Cds(Cds-Cds)(Cds-Cdd-Cd) -219 Cds-Cds(Cds-Cds)(Cds-Cdd-Od) Cds-Cds(Cds-Cdd-Od)Cs -220 Cds-Cds(Cds-Cds)(Cds-Cdd-Cd) Cds-Cds(Cds-Cds)(Cds-Cds) -221 Cds-Cds(Cds-Cdd)(Cds-Cdd) Cds-Cds(Cds-Cdd-Cd)(Cds-Cdd-Cd) -222 Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Od) Cds-Cds(Cds-Cds)(Cds-Cds) -223 Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Cd) Cds-Cds(Cds-Cds)(Cds-Cdd-Od) -224 Cds-Cds(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cds-Cds(Cds-Cds)(Cds-Cdd-Cd) -225 Cds-CdsCtCs 8.11 -13.02 3.5 3.88 4.88 4.18 4.86 5.4 6.01 0.24 0.12 0.1 Cd-CtCs RAMAN & GREEN JPCA 2002, 106, 11141-11149 -226 Cds-CdsCtCds Cds-Cds(Cds-Cds)Ct -227 Cds-CdsCt(Cds-Od) Cds-Cds(Cds-Od)(Cds-Cds) -228 Cds-CdsCt(Cds-Cd) Cds-Cds(Cds-Cds)Ct -229 Cds-Cds(Cds-Cds)Ct 7.54 -14.65 3.89 5.26 5.98 6.37 6.67 6.78 6.89 0.24 0.12 0.1 Cd-CtCd RAMAN & GREEN JPCA 2002, 106, 11141-11149 -230 Cds-Cds(Cds-Cdd)Ct Cds-Cds(Cds-Cdd-Cd)Ct -231 Cds-Cds(Cds-Cdd-Od)Ct Cds-Cds(Cds-Cds)(Cds-Cdd-Od) -232 Cds-Cds(Cds-Cdd-Cd)Ct Cds-Cds(Cds-Cds)Ct -233 Cds-CdsCtCt 8.81 -13.51 3.23 4.59 5.41 5.93 6.48 6.74 7.02 0.24 0.12 0.1 Cd-CtCt RAMAN & GREEN JPCA 2002, 106, 11141-11149 -234 Cds-CdsCbCs 8.64 -14.6 4.4 5.37 5.93 6.18 6.5 6.62 6.72 0.24 0.12 0.1 Cd-CbCs BENSON -235 Cds-CdsCbCds Cds-Cds(Cds-Cds)Cb -236 Cds-CdsCb(Cds-Od) Cds-Cds(Cds-Od)(Cds-Cds) -237 Cds-Cds(Cds-Cd)Cb Cds-Cds(Cds-Cds)Cb -238 Cds-Cds(Cds-Cds)Cb 7.18 -16.5 4.7 6.13 6.87 7.1 7.2 7.16 7.06 0.24 0.12 0.1 Cd-CbCd BOZZELLI =3D Cd/Cs/Cb + (Cd/Cs/Cd - Cd/Cs/Cs) -239 Cds-Cds(Cds-Cdd)Cb Cds-Cds(Cds-Cdd-Cd)Cb -240 Cds-Cds(Cds-Cdd-Od)Cb Cds-Cds(Cds-Cds)(Cds-Cdd-Od) -241 Cds-Cds(Cds-Cdd-Cd)Cb Cds-Cds(Cds-Cds)Cb -242 Cds-CdsCbCt 6.70 -17.04 2.22 3.14 4.54 4.11 5.06 5.79 6.71 0.24 0.12 0.1 "Cd-CbCt Hf=3D est S,Cp mopac nov99" -243 Cds-CdsCbCb 8.00 -16.5 4.7 6.13 6.87 7.1 7.2 7.16 7.06 0.24 0.12 0.1 Cd-CbCb BOZZELLI =3D Cd/Cs/Cb + (Cd/Cs/Cb - Cd/Cs/Cs) -244 Cds-CddCsCs Cds-(Cdd-Cd)CsCs -245 Cds-(Cdd-Od)CsCs -1.644 20.02 9.82 10.74 11.53 13.22 13.46 14.28 15.35 0.24 0.12 0.1 {CCO/C2} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -246 Cds-(Cdd-Cd)CsCs Cds-CdsCsCs -247 Cds-CddCdsCs Cds-(Cdd-Cd)(Cds-Cds)Cs -248 Cds-(Cdd-Od)(Cds-Od)Cs Cds-(Cdd-Od)CsCs -249 Cds-(Cdd-Od)(Cds-Cd)Cs Cds-(Cdd-Od)(Cds-Cds)Cs -250 Cds-(Cdd-Od)(Cds-Cds)Cs Cds-(Cdd-Od)CsCs -251 Cds-(Cdd-Od)(Cds-Cdd)Cs Cds-(Cdd-Od)(Cds-Cdd-Cd)Cs -252 Cds-(Cdd-Od)(Cds-Cdd-Od)Cs -2.070 19.65 10.10 11.24 12.12 12.84 14.00 14.75 15.72 0.24 0.12 0.1 {CCO/C/CCO} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -253 Cds-(Cdd-Od)(Cds-Cdd-Cd)Cs Cds-(Cdd-Od)(Cds-Cds)Cs -254 Cds-(Cdd-Cd)(Cds-Cd)Cs Cds-(Cdd-Cd)(Cds-Cds)Cs -255 Cds-(Cdd-Cd)(Cds-Cds)Cs Cds-Cds(Cds-Cds)Cs -256 Cds-(Cdd-Cd)(Cds-Cdd)Cs Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cs -257 Cds-(Cdd-Cd)(Cds-Cdd-Od)Cs Cds-Cds(Cds-Cdd-Od)Cs -258 Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cs Cds-(Cdd-Cd)(Cds-Cds)Cs -259 Cds-CddCdsCds Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) -260 Cds-(Cdd-Od)(Cds-Od)(Cds-Od) Cds-(Cdd-Od)CsCs -261 Cds-(Cdd-Od)(Cds-Cd)(Cds-Od) Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) -262 Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) Cds-(Cdd-Od)(Cds-Od)Cs -263 Cds-(Cdd-Od)(Cds-Cdd)(Cds-Od) Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Od) -264 Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Od) Cds-(Cdd-Od)(Cds-Cdd-Od)Cs -265 Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Od) Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) -266 Cds-(Cdd-Od)(Cds-Cd)(Cds-Cd) Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -267 Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) Cds-(Cdd-Od)CsCs -268 Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cds) Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cds) -269 Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) Cds-(Cdd-Od)(Cds-Cdd-Od)Cs -270 Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cds) Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -271 Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cdd) Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -272 Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -273 Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) -274 Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -275 Cds-(Cdd-Cd)(Cds-Od)(Cds-Od) Cds-Cds(Cds-Od)(Cds-Od) -276 Cds-(Cdd-Cd)(Cds-Od)(Cds-Cd) Cds-(Cdd-Cd)(Cds-Od)(Cds-Cds) -277 Cds-(Cdd-Cd)(Cds-Od)(Cds-Cds) Cds-Cds(Cds-Od)(Cds-Cds) -278 Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd) Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Cd) -279 Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Od) Cds-Cds(Cds-Od)(Cds-Cdd-Od) -280 Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Cd) Cds-(Cdd-Cd)(Cds-Od)(Cds-Cds) -281 Cds-(Cdd-Cd)(Cds-Cd)(Cds-Cd) Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) -282 Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) Cds-Cds(Cds-Cds)(Cds-Cds) -283 Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cds) Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cds) -284 Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cds) Cds-Cds(Cds-Cds)(Cds-Cdd-Od) -285 Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cds) Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) -286 Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cdd) Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -287 Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Od) Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Od) -288 Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cds) -289 Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) -290 Cds-CddCtCs Cds-(Cdd-Cd)CtCs -291 Cds-(Cdd-Od)CtCs Cds-(Cdd-Od)(Cds-Cds)Cs -292 Cds-(Cdd-Cd)CtCs Cds-CdsCtCs -293 Cds-CddCtCds Cds-(Cdd-Cd)(Cds-Cds)Ct -294 Cds-(Cdd-Od)(Cds-Od)Ct Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) -295 Cds-(Cdd-Od)(Cds-Cd)Ct Cds-(Cdd-Od)(Cds-Cds)Ct -296 Cds-(Cdd-Od)(Cds-Cds)Ct Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -297 Cds-(Cdd-Od)(Cds-Cdd)Ct Cds-(Cdd-Od)(Cds-Cdd-Cd)Ct -298 Cds-(Cdd-Od)(Cds-Cdd-Od)Ct Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) -299 Cds-(Cdd-Od)(Cds-Cdd-Cd)Ct Cds-(Cdd-Od)(Cds-Cds)Ct -300 Cds-(Cdd-Cd)(Cds-Cd)Ct Cds-(Cdd-Cd)(Cds-Cds)Ct -301 Cds-(Cdd-Cd)(Cds-Cds)Ct Cds-Cds(Cds-Cds)Ct -302 Cds-(Cdd-Cd)(Cds-Cdd)Ct Cds-(Cdd-Cd)(Cds-Cdd-Cd)Ct -303 Cds-(Cdd-Cd)(Cds-Cdd-Od)Ct Cds-Cds(Cds-Cdd-Od)Ct -304 Cds-(Cdd-Cd)(Cds-Cdd-Cd)Ct Cds-(Cdd-Cd)(Cds-Cds)Ct -305 Cds-CddCtCt Cds-(Cdd-Cd)CtCt -306 Cds-(Cdd-Od)CtCt Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -307 Cds-(Cdd-Cd)CtCt Cds-CdsCtCt -308 Cds-CddCbCs Cds-(Cdd-Cd)CbCs -309 Cds-(Cdd-Od)CbCs Cds-(Cdd-Od)(Cds-Cds)Cs -310 Cds-(Cdd-Cd)CbCs Cds-CdsCbCs -311 Cds-CddCbCds Cds-(Cdd-Cd)(Cds-Cds)Cb -312 Cds-(Cdd-Od)(Cds-Od)Cb Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) -313 Cds-(Cdd-Od)(Cds-Cd)Cb Cds-(Cdd-Od)(Cds-Cds)Cb -314 Cds-(Cdd-Od)(Cds-Cds)Cb Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -315 Cds-(Cdd-Od)(Cds-Cdd)Cb Cds-(Cdd-Od)(Cds-Cdd-Cd)Cb -316 Cds-(Cdd-Od)(Cds-Cdd-Od)Cb Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) -317 Cds-(Cdd-Od)(Cds-Cdd-Cd)Cb Cds-(Cdd-Od)(Cds-Cds)Cb -318 Cds-(Cdd-Cd)(Cds-Cd)Cb Cds-(Cdd-Cd)(Cds-Cds)Cb -319 Cds-(Cdd-Cd)(Cds-Cds)Cb Cds-Cds(Cds-Cds)Cb -320 Cds-(Cdd-Cd)(Cds-Cdd)Cb Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cb -321 Cds-(Cdd-Cd)(Cds-Cdd-Od)Cb Cds-Cds(Cds-Cdd-Od)Cb -322 Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cb Cds-(Cdd-Cd)(Cds-Cds)Cb -323 Cds-CddCbCt Cds-(Cdd-Cd)CbCt -324 Cds-(Cdd-Od)CbCt Cds-(Cdd-Od)(Cds-Cds)Ct -325 Cds-(Cdd-Cd)CbCt Cds-CdsCbCt -326 Cds-CddCbCb Cds-(Cdd-Cd)CbCb -327 Cds-(Cdd-Od)CbCb Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -328 Cds-(Cdd-Cd)CbCb Cds-CdsCbCb -329 Cs Cs-CsCsCsCs -330 Cs-HHHH -17.90 49.41 8.43 9.84 11.14 12.41 15.00 17.25 20.63 0.1 0.05 0.06 CHEMKIN DATABASE S(group) = S(CH4) + Rln(12) -331 Cs-CHHH Cs-CsHHH -332 Cs-CsHHH -10.20 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 0.12 0.08 0.08 Cs-CsHHH BENSON -333 Cs-CdsHHH Cs-(Cds-Cds)HHH -334 Cs-(Cds-Od)HHH -10.08 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 0.08 0.04 0.04 Cs-COHHH BENSON: Cp1500 =3D Cp1000*(Cp1500/Cp1000: C/Cd/H3) -335 Cs-(Cds-Cd)HHH Cs-(Cds-Cds)HHH -336 Cs-(Cds-Cds)HHH -10.20 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 0.08 0.04 0.04 Cs-CdHHH BENSON (Assigned Cs-CsHHH) -337 Cs-(Cds-Cdd)HHH Cs-(Cds-Cdd-Cd)HHH -338 Cs-(Cds-Cdd-Od)HHH -10.08 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 0.08 0.04 0.04 "{CCO/C/H3} RAMAN & GREEN JPCA 2002, 106, 7937-7949, assigened same value as Cs-CsHHH" -339 Cs-(Cds-Cdd-Cd)HHH Cs-(Cds-Cds)HHH -340 Cs-CtHHH -10.20 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 0.15 0.08 0.08 Cs-CtHHH BENSON (Assigned Cs-CsHHH) -341 Cs-CbHHH -10.20 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 0.18 0.14 0.1 Cs-CbHHH BENSON (Assigned Cs-CsHHH) -342 Cs-OsHHH -10.10 30.41 6.19 7.84 9.4 10.79 13.03 14.77 17.58 0.2 0.1 0.1 Cs-OHHH BENSON -343 Cs-OsOsHH -15.23 9.42 5.5 6.95 8.25 9.35 11.07 12.34 12.34 0.2 0.1 0.1 "Cs-OOHH PEDLEY Hf, BOZZELLI C/C2/H2 !!!WARNING! Cp1500 value taken as Cp1000" -344 Cs-OsOsOsH -21.23 -12.07 4.54 6 7.17 8.05 9.31 10.05 10.05 0.2 0.1 0.1 "Cs-OOOH BOZZELLI del C/C2/O - C/C3/O, series !!!WARNING! Cp1500 value taken as Cp1000" -345 Cs-CCHH Cs-CsCsHH -346 Cs-CsCsHH -4.93 9.42 5.5 6.95 8.25 9.35 11.07 12.34 14.25 0.05 0.13 0.04 Cs-CsCsHH BENSON -347 Cs-CdsCsHH Cs-(Cds-Cds)CsHH -348 Cs-(Cds-Od)CsHH -5.2 9.6 6.2 7.7 8.7 9.5 11.1 12.2 14.07 0.16 0.1 0.1 Cs-COCsHH BENSON Cp1500 =3D Cp1000*(Cp1500/Cp1000: C/C/Cd/H2) -349 Cs-(Cds-Cd)CsHH Cs-(Cds-Cds)CsHH -350 Cs-(Cds-Cds)CsHH -4.76 9.8 5.12 6.86 8.32 9.49 11.22 12.48 14.36 0.16 0.1 0.1 Cs-CdCsHH BENSON -351 Cs-(Cds-Cdd)CsHH Cs-(Cds-Cdd-Cd)CsHH -352 Cs-(Cds-Cdd-Od)CsHH -5.723 9.37 5.35 6.83 8.25 9.45 11.19 12.46 14.34 0.16 0.1 0.1 {C/C/H2/CCO} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -353 Cs-(Cds-Cdd-Cd)CsHH Cs-(Cds-Cds)CsHH -354 Cs-CdsCdsHH Cs-(Cds-Cds)(Cds-Cds)HH -355 Cs-(Cds-Od)(Cds-Od)HH -7.6 5.82 5.03 7.44 9.16 10.49 12.17 13.57 13.57 0.16 0.1 0.1 "Cs-COCOHH BENSON Hf, Mopac =3D S,Cp nov99 !!!WARNING! Cp1500 value taken as Cp1000" -356 Cs-(Cds-Od)(Cds-Cd)HH Cs-(Cds-Od)(Cds-Cds)HH -357 Cs-(Cds-Od)(Cds-Cds)HH -3.8 6.31 4.75 7.11 8.92 10.32 12.16 13.61 13.61 0.16 0.1 0.1 "Cs-COCdHH BENSON Hf, Mopac =3D S,Cp nov99 !!!WARNING! Cp1500 value taken as Cp1000" -358 Cs-(Cds-Od)(Cds-Cdd)HH Cs-(Cds-Od)(Cds-Cdd-Cd)HH -359 Cs-(Cds-Od)(Cds-Cdd-Od)HH Cs-(Cds-Cdd-Od)CsHH -360 Cs-(Cds-Od)(Cds-Cdd-Cd)HH Cs-(Cds-Od)(Cds-Cds)HH -361 Cs-(Cds-Cd)(Cds-Cd)HH Cs-(Cds-Cds)(Cds-Cds)HH -362 Cs-(Cds-Cds)(Cds-Cds)HH -4.29 10.2 4.7 6.8 8.4 9.6 11.3 12.6 14.4 0.16 0.1 0.1 Cs-CdCdHH BENSON -363 Cs-(Cds-Cdd)(Cds-Cds)HH Cs-(Cds-Cdd-Cd)(Cds-Cds)HH -364 Cs-(Cds-Cdd-Od)(Cds-Cds)HH Cs-(Cds-Cdd-Od)CsHH -365 Cs-(Cds-Cdd-Cd)(Cds-Cds)HH Cs-(Cds-Cds)(Cds-Cds)HH -366 Cs-(Cds-Cdd)(Cds-Cdd)HH Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)HH -367 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)HH -5.301 7.18 6.68 8.28 9.58 10.61 12.04 13.13 14.87 0.16 0.1 0.1 {C/H2/CCO2} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -368 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)HH Cs-(Cds-Cdd-Od)(Cds-Cds)HH -369 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)HH Cs-(Cds-Cds)(Cds-Cds)HH -370 Cs-CtCsHH -4.73 10.3 4.95 6.56 7.93 9.08 10.86 12.19 14.2 0.28 0.07 0.08 Cs-CtCsHH BENSON -371 Cs-CtCdsHH Cs-(Cds-Cds)CtHH -372 Cs-(Cds-Od)CtHH -5.4 7.68 3.85 6.22 8.01 9.43 11.29 12.76 12.76 0.28 0.07 0.08 "Cs-COCtHH BENSON Hf, Mopac =3D S,Cp nov99 !!!WARNING! Cp1500 value taken as Cp1000" -373 Cs-(Cds-Cd)CtHH Cs-(Cds-Cds)CtHH -374 Cs-(Cds-Cds)CtHH -3.49 9.31 4.4 6.33 7.9 9.16 10.93 12.29 13.43 0.28 0.07 0.08 Cs-CtCdHH RAMAN & GREEN JPCA 2002, 106, 11141-11149 -375 Cs-(Cds-Cdd)CtHH Cs-(Cds-Cdd-Cd)CtHH -376 Cs-(Cds-Cdd-Od)CtHH Cs-(Cds-Cdd-Od)(Cds-Cds)HH -377 Cs-(Cds-Cdd-Cd)CtHH Cs-(Cds-Cds)CtHH -378 Cs-CtCtHH -0.82 10.04 4 6.07 7.71 9.03 10.88 12.3 12.48 0.28 0.07 0.08 Cs-CtCtHH RAMAN & GREEN JPCA 2002, 106, 11141-11149 -379 Cs-CbCsHH -4.86 9.34 5.84 7.61 8.98 10.01 11.49 12.54 13.76 0.2 0.19 0.1 Cs-CbCsHH BENSON -380 Cs-CbCdsHH Cs-(Cds-Cds)CbHH -381 Cs-(Cds-Od)CbHH -5.4 5.89 5.38 7.59 9.25 10.51 12.19 13.52 13.52 0.2 0.19 0.1 "Cs-COCbHH BENSON Hf, Mopac =3D S,Cp nov99 !!!WARNING! Cp1500 value taken as Cp1000" -382 Cs-(Cds-Cd)CbHH Cs-(Cds-Cds)CbHH -383 Cs-(Cds-Cds)CbHH -4.29 2 4.51 6.76 8.61 10.01 11.97 13.4 15.47 0.2 0.19 0.2 "Cs-CbCdHH Hf=Stein S,Cp=3D mopac nov99" -384 Cs-(Cds-Cdd)CbHH Cs-(Cds-Cdd-Cd)CbHH -385 Cs-(Cds-Cdd-Od)CbHH Cs-(Cds-Cdd-Od)(Cds-Cds)HH -386 Cs-(Cds-Cdd-Cd)CbHH Cs-(Cds-Cds)CbHH -387 Cs-CbCtHH -4.29 9.84 4.28 6.43 8.16 9.5 11.36 12.74 13.7 0.28 0.07 0.08 "Cs-CbCtHH Hf=Stein S,Cp=3D mopac nov99" -388 Cs-CbCbHH -4.29 8.07 5.67 7.7 9.31 10.52 12.21 13.47 15.11 0.2 0.19 0.2 "Cs-CbCbHH Hf=3Dbsn/Cs/Cd2/H2 S,Cp=3D mopac nov99" -389 Cs-CCCH Cs-CsCsCsH -390 Cs-CsCsCsH -1.9 -12.07 4.54 6 7.17 8.05 9.31 10.05 11.17 0.15 0.07 0.07 Cs-CsCsCsH BENSON -391 Cs-CdsCsCsH Cs-(Cds-Cds)CsCsH -392 Cs-(Cds-Od)CsCsH -1.7 -11.7 4.16 5.91 7.34 8.19 9.46 10.19 10.19 0.27 0.15 0.13 "Cs-COCsCsH BOZZELLI - BENSON Hf, S, -C/C2Cd/H =3D Cp !!!WARNING! Cp1500 value taken as Cp1000" -393 Cs-(Cds-Cd)CsCsH Cs-(Cds-Cds)CsCsH -394 Cs-(Cds-Cds)CsCsH -1.48 -11.69 4.16 5.91 7.34 8.19 9.46 10.19 11.28 0.27 0.15 0.13 Cs-CdCsCsH BENSON -395 Cs-(Cds-Cdd)CsCsH Cs-(Cds-Cdd-Cd)CsCsH -396 Cs-(Cds-Cdd-Od)CsCsH -3.634 -12.31 4.96 6.35 7.61 8.54 9.65 10.35 11.19 0.27 0.15 0.13 {C/C2/CCO/H} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -397 Cs-(Cds-Cdd-Cd)CsCsH -1.48 -11.69 4.16 5.91 7.34 8.19 9.46 10.19 11.28 0.27 0.15 0.13 Cs-CdCsCsH BENSON -398 Cs-CtCsCsH -1.72 -11.19 3.99 5.61 6.85 7.78 9.1 9.9 11.12 0.27 0.15 0.13 Cs-CtCsCsH BENSON -399 Cs-CbCsCsH -0.98 -12.15 4.88 6.66 7.9 8.75 9.73 10.25 10.68 0.27 0.15 0.13 Cs-CbCsCsH BENSON -400 Cs-CdsCdsCsH Cs-(Cds-Cds)(Cds-Cds)CsH -401 Cs-(Cds-Od)(Cds-Od)CsH Cs-CsCsCsH -402 Cs-(Cds-Od)(Cds-Cd)CsH Cs-(Cds-Od)(Cds-Cds)CsH -403 Cs-(Cds-Od)(Cds-Cds)CsH Cs-(Cds-Od)CsCsH -404 Cs-(Cds-Od)(Cds-Cdd)CsH Cs-(Cds-Od)(Cds-Cdd-Cd)CsH -405 Cs-(Cds-Od)(Cds-Cdd-Od)CsH Cs-(Cds-Cdd-Od)CsCsH -406 Cs-(Cds-Od)(Cds-Cdd-Cd)CsH Cs-(Cds-Od)(Cds-Cds)CsH -407 Cs-(Cds-Cd)(Cds-Cd)CsH Cs-(Cds-Cds)(Cds-Cds)CsH -408 Cs-(Cds-Cds)(Cds-Cds)CsH -1.1 -13.03 5.28 6.54 7.67 8.48 9.45 10.18 11.24 0.27 0.15 0.13 Cs-CdCdCsH RAMAN & GREEN JPCA 2002, 106, 11141-11149 -409 Cs-(Cds-Cdd)(Cds-Cds)CsH Cs-(Cds-Cdd-Cd)(Cds-Cds)CsH -410 Cs-(Cds-Cdd-Od)(Cds-Cds)CsH Cs-(Cds-Cdd-Od)CsCsH -411 Cs-(Cds-Cdd-Cd)(Cds-Cds)CsH Cs-(Cds-Cds)(Cds-Cds)CsH -412 Cs-(Cds-Cdd)(Cds-Cdd)CsH Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsH -413 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsH -3.714 -14.12 6.33 7.96 9.13 9.91 10.7 11.19 11.81 0.27 0.15 0.13 {C/C/H/CCO2} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -414 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsH Cs-(Cds-Cdd-Od)(Cds-Cds)CsH -415 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsH Cs-(Cds-Cds)(Cds-Cds)CsH -416 Cs-CtCdsCsH Cs-(Cds-Cds)CtCsH -417 Cs-(Cds-Od)CtCsH Cs-(Cds-Od)(Cds-Cds)CsH -418 Cs-(Cds-Cd)CtCsH Cs-(Cds-Cds)CtCsH -419 Cs-(Cds-Cds)CtCsH -6.9 -13.48 5.55 7.21 8.39 9.17 10 10.61 10.51 0.27 0.15 0.13 Cs-CtCdCsH RAMAN & GREEN JPCA 2002, 106, 11141-11149 -420 Cs-(Cds-Cdd)CtCsH Cs-(Cds-Cdd-Cd)CtCsH -421 Cs-(Cds-Cdd-Od)CtCsH Cs-(Cds-Cdd-Od)(Cds-Cds)CsH -422 Cs-(Cds-Cdd-Cd)CtCsH Cs-(Cds-Cds)CtCsH -423 Cs-CbCdsCsH Cs-(Cds-Cds)CbCsH -424 Cs-(Cds-Od)CbCsH Cs-(Cds-Od)(Cds-Cds)CsH -425 Cs-(Cds-Cd)CbCsH Cs-(Cds-Cds)CbCsH -426 Cs-(Cds-Cds)CbCsH -1.56 -11.77 4.5 6.57 8.07 8.89 9.88 10.39 10.79 0.27 0.15 0.13 Cs-CbCdCsH BOZZELLI =3D Cs/Cs2/Cd/H + (Cs/Cs2/Cb/H - Cs/Cs3/H) -427 Cs-(Cds-Cdd)CbCsH Cs-(Cds-Cdd-Cd)CbCsH -428 Cs-(Cds-Cdd-Od)CbCsH Cs-(Cds-Cdd-Od)(Cds-Cds)CsH -429 Cs-(Cds-Cdd-Cd)CbCsH Cs-(Cds-Cds)CbCsH -430 Cs-CtCtCsH 1.72 -11.61 3.27 5.32 6.9 8.03 9.33 10.21 9.38 0.27 0.15 0.13 Cs-CtCtCsH RAMAN & GREEN JPCA 2002, 106, 11141-11149 -431 Cs-CbCtCsH -1.55 -11.65 4.33 6.27 7.58 8.48 9.52 10.1 10.63 0.27 0.15 0.13 Cs-CbCtCsH BOZZELLI =3D Cs/Cs2/Cb/H + (Cs/Cs2/Ct/H - Cs/Cs3/H) -432 Cs-CbCbCsH -1.06 -12.23 5.22 7.32 8.63 8.45 10.15 10.45 10.89 0.27 0.15 0.13 Cs-CbCbCsCs BOZZELLI =3D Cs/Cs2/Cb/H + (Cs/Cs2/Cb/H - Cs/Cs3/H) -433 Cs-CdsCdsCdsH Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -434 Cs-(Cds-Od)(Cds-Od)(Cds-Od)H Cs-CsCsCsH -435 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)H Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H -436 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H Cs-(Cds-Od)(Cds-Od)CsH -437 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)H Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)H -438 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)H Cs-(Cds-Cdd-Od)CsCsH -439 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)H Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H -440 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)H Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -441 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H Cs-(Cds-Od)CsCsH -442 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)H Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)H -443 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H Cs-(Cds-Od)(Cds-Cdd-Od)CsH -444 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)H Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -445 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)H Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H -446 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsH -447 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H -448 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -449 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -450 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H 0.41 -11.82 4.51 5.96 7.13 7.98 9.06 9.9 11.23 0.27 0.15 0.13 Cs-CdCdCdH RAMAN & GREEN JPC 2002 -451 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)H -452 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H Cs-(Cds-Cdd-Od)CsCsH -453 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -454 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)H Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H -455 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsH -456 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -457 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -458 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)H Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H -459 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -460 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H -461 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -462 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -463 Cs-CtCdsCdsH Cs-(Cds-Cds)(Cds-Cds)CtH -464 Cs-(Cds-Od)(Cds-Od)CtH Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H -465 Cs-(Cds-Od)(Cds-Cd)CtH Cs-(Cds-Od)(Cds-Cds)CtH -466 Cs-(Cds-Od)(Cds-Cds)CtH Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -467 Cs-(Cds-Od)(Cds-Cdd)CtH Cs-(Cds-Od)(Cds-Cdd-Cd)CtH -468 Cs-(Cds-Od)(Cds-Cdd-Od)CtH Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H -469 Cs-(Cds-Od)(Cds-Cdd-Cd)CtH Cs-(Cds-Od)(Cds-Cds)CtH -470 Cs-(Cds-Cd)(Cds-Cd)CtH Cs-(Cds-Cds)(Cds-Cds)CtH -471 Cs-(Cds-Cds)(Cds-Cds)CtH 1.88 -13.75 6.68 7.85 8.62 9.16 9.81 10.42 10.49 0.27 0.15 0.13 Cs-CtCdCdH RAMAN & GREEN JPCA 2002, 106, 11141-11149 -472 Cs-(Cds-Cdd)(Cds-Cds)CtH Cs-(Cds-Cdd-Cd)(Cds-Cds)CtH -473 Cs-(Cds-Cdd-Od)(Cds-Cds)CtH Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -474 Cs-(Cds-Cdd-Cd)(Cds-Cds)CtH Cs-(Cds-Cds)(Cds-Cds)CtH -475 Cs-(Cds-Cdd)(Cds-Cdd)CtH Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtH -476 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtH Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H -477 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtH Cs-(Cds-Cdd-Od)(Cds-Cds)CtH -478 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtH Cs-(Cds-Cds)(Cds-Cds)CtH -479 Cs-CbCdsCdsH Cs-(Cds-Cds)(Cds-Cds)CbH -480 Cs-(Cds-Od)(Cds-Od)CbH Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H -481 Cs-(Cds-Od)(Cds-Cd)CbH Cs-(Cds-Od)(Cds-Cds)CbH -482 Cs-(Cds-Od)(Cds-Cds)CbH Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -483 Cs-(Cds-Od)(Cds-Cdd)CbH Cs-(Cds-Od)(Cds-Cdd-Cd)CbH -484 Cs-(Cds-Od)(Cds-Cdd-Od)CbH Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H -485 Cs-(Cds-Od)(Cds-Cdd-Cd)CbH Cs-(Cds-Od)(Cds-Cds)CbH -486 Cs-(Cds-Cd)(Cds-Cd)CbH Cs-(Cds-Cds)(Cds-Cds)CbH -487 Cs-(Cds-Cds)(Cds-Cds)CbH -1.39 -11.39 4.12 6.51 8.24 9 10.03 10.53 10.89 0.27 0.15 0.13 Cs-CbCdCdH BOZZELLI =3D Cs/Cs/Cd2/H + (Cs/Cs2/Cb/H - Cs/Cs3/H) -488 Cs-(Cds-Cdd)(Cds-Cds)CbH Cs-(Cds-Cdd-Cd)(Cds-Cds)CbH -489 Cs-(Cds-Cdd-Od)(Cds-Cds)CbH Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -490 Cs-(Cds-Cdd-Cd)(Cds-Cds)CbH Cs-(Cds-Cds)(Cds-Cds)CbH -491 Cs-(Cds-Cdd)(Cds-Cdd)CbH Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbH -492 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbH Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H -493 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbH Cs-(Cds-Cdd-Od)(Cds-Cds)CbH -494 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbH Cs-(Cds-Cds)(Cds-Cds)CbH -495 Cs-CtCtCdsH Cs-CtCt(Cds-Cds)H -496 Cs-CtCt(Cds-Od)H Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -497 Cs-CtCt(Cds-Cd)H Cs-CtCt(Cds-Cds)H -498 Cs-CtCt(Cds-Cds)H 4.73 -11.46 3.58 5.68 7.11 8.12 9.27 10.13 9.44 0.27 0.15 0.13 Cs-CtCtCdH RAMAN & GREEN JPCA 2002, 106, 11141-11149 -499 Cs-CtCt(Cds-Cdd)H Cs-CtCt(Cds-Cdd-Cd)H -500 Cs-CtCt(Cds-Cdd-Od)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -501 Cs-CtCt(Cds-Cdd-Cd)H Cs-CtCt(Cds-Cds)H -502 Cs-CbCtCdsH Cs-CbCt(Cds-Cds)H -503 Cs-CbCt(Cds-Od)H Cs-(Cds-Od)(Cds-Cds)CtH -504 Cs-CbCt(Cds-Cd)H Cs-CbCt(Cds-Cds)H -505 Cs-CbCt(Cds-Cds)H Cs-(Cds-Cds)(Cds-Cds)CtH -506 Cs-CbCt(Cds-Cdd)H Cs-CbCt(Cds-Cdd-Cd)H -507 Cs-CbCt(Cds-Cdd-Od)H Cs-(Cds-Cdd-Od)(Cds-Cds)CtH -508 Cs-CbCt(Cds-Cdd-Cd)H Cs-CbCt(Cds-Cds)H -509 Cs-CbCbCdsH Cs-CbCb(Cds-Cds)H -510 Cs-CbCb(Cds-Od)H Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -511 Cs-CbCb(Cds-Cds)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -512 Cs-CbCb(Cds-Cdd)H Cs-CbCb(Cds-Cdd-Cd)H -513 Cs-CbCb(Cds-Cdd-Od)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -514 Cs-CbCb(Cds-Cdd-Cd)H Cs-CbCb(Cds-Cds)H -515 Cs-CtCtCtH 10.11 -10.46 3.03 5.27 6.78 7.88 9.14 10.08 8.47 0.27 0.15 0.13 Cs-CtCtCtH RAMAN & GREEN JPCA 2002, 106, 11141-11149 -516 Cs-CbCtCtH Cs-CtCt(Cds-Cds)H -517 Cs-CbCbCtH Cs-(Cds-Cds)(Cds-Cds)CtH -518 Cs-CbCbCbH -0.34 -12.31 5.56 7.98 9.36 10.15 10.57 10.65 9.7 0.27 0.15 0.13 Cs-CbCbCbH BOZZELLI =3D Cs/Cs/Cb2/H + (Cs/Cs2/Cb/H - Cs/Cs3/H) -519 Cs-CCCC Cs-CsCsCsCs -520 Cs-CsCsCsCs 0.5 -35.1 4.37 6.13 7.36 8.12 8.77 8.76 8.12 0.27 0.15 0.13 Cs-CsCsCsCs BENSON -521 Cs-CdsCsCsCs Cs-(Cds-Cds)CsCsCs -522 Cs-(Cds-Od)CsCsCs 1.4 -34.72 3.99 6.04 7.43 8.26 8.92 8.96 8.23 0.27 0.15 0.13 "Cs-COCsCsCs Hf BENSON S,Cp =3D C/Cd/C3" -523 Cs-(Cds-Cd)CsCsCs Cs-(Cds-Cds)CsCsCs -524 Cs-(Cds-Cds)CsCsCs 1.68 -34.72 3.99 6.04 7.43 8.26 8.92 8.96 8.23 0.27 0.15 0.13 Cs-CdCsCsCs BENSON -525 Cs-(Cds-Cdd)CsCsCs Cs-(Cds-Cdd-Cd)CsCsCs -526 Cs-(Cds-Cdd-Od)CsCsCs -2.896 -34.87 4.48 6.06 7.31 8.07 8.59 8.66 8.29 0.27 0.15 0.13 {C/C3/CCO} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -527 Cs-(Cds-Cdd-Cd)CsCsCs Cs-(Cds-Cds)CsCsCs -528 Cs-CtCsCsCs 2.81 -35.18 4.37 6.79 8.09 8.78 9.19 8.96 7.63 0.27 0.15 0.13 Cs-CtCsCsCs BENSON -529 Cs-CbCsCsCs 2.81 -35.18 4.37 6.79 8.09 8.78 9.19 8.96 7.63 0.26 0.13 0.13 Cs-CbCsCsCs BENSON -530 Cs-CdsCdsCsCs Cs-(Cds-Cds)(Cds-Cds)CsCs -531 Cs-(Cds-Od)(Cds-Od)CsCs Cs-CsCsCsCs -532 Cs-(Cds-Od)(Cds-Cd)CsCs Cs-(Cds-Od)(Cds-Cds)CsCs -533 Cs-(Cds-Od)(Cds-Cds)CsCs Cs-(Cds-Od)CsCsCs -534 Cs-(Cds-Od)(Cds-Cdd)CsCs Cs-(Cds-Od)(Cds-Cdd-Cd)CsCs -535 Cs-(Cds-Od)(Cds-Cdd-Od)CsCs Cs-(Cds-Cdd-Od)CsCsCs -536 Cs-(Cds-Od)(Cds-Cdd-Cd)CsCs Cs-(Cds-Od)(Cds-Cds)CsCs -537 Cs-(Cds-Cd)(Cds-Cd)CsCs Cs-(Cds-Cds)(Cds-Cds)CsCs -538 Cs-(Cds-Cds)(Cds-Cds)CsCs 1.68 -34.72 3.99 6.04 7.43 8.26 8.92 8.96 8.23 0.26 0.13 0.13 Cs-CdCdCsCs BENSON -539 Cs-(Cds-Cdd)(Cds-Cds)CsCs Cs-(Cds-Cdd-Cd)(Cds-Cds)CsCs -540 Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs Cs-(Cds-Cdd-Od)CsCsCs -541 Cs-(Cds-Cdd-Cd)(Cds-Cds)CsCs Cs-(Cds-Cds)(Cds-Cds)CsCs -542 Cs-(Cds-Cdd)(Cds-Cdd)CsCs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsCs -543 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs -2.987 -36.46 6.73 8.10 9.02 9.53 9.66 9.52 8.93 0.26 0.13 0.13 {C/C2/CCO2} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -544 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsCs Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs -545 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsCs Cs-(Cds-Cds)(Cds-Cds)CsCs -546 Cs-CtCdsCsCs Cs-(Cds-Cds)CtCsCs -547 Cs-(Cds-Od)CtCsCs Cs-(Cds-Od)(Cds-Cds)CsCs -548 Cs-(Cds-Cd)CtCsCs Cs-(Cds-Cds)CtCsCs -549 Cs-(Cds-Cds)CtCsCs 2.99 -34.8 3.99 6.7 8.16 8.92 9.34 9.16 7.14 0.26 0.13 0.13 Cs-CtCdCsCs BOZZELLI =3D Cs/Cs3/Cd + (Cs/Cs3/Ct - Cs/Cs4) -550 Cs-(Cds-Cdd)CtCsCs Cs-(Cds-Cdd-Cd)CtCsCs -551 Cs-(Cds-Cdd-Od)CtCsCs Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs -552 Cs-(Cds-Cdd-Cd)CtCsCs Cs-(Cds-Cds)CtCsCs -553 Cs-CbCdsCsCs Cs-(Cds-Cds)CbCsCs -554 Cs-(Cds-Od)CbCsCs Cs-(Cds-Od)(Cds-Cds)CsCs -555 Cs-(Cds-Cd)CbCsCs Cs-(Cds-Cds)CbCsCs -556 Cs-(Cds-Cds)CbCsCs 2.99 -34.8 3.99 6.7 8.16 8.92 9.34 9.16 7.14 0.26 0.13 0.13 Cs-CbCdCsCs BOZZELLI =3D Cs/Cs3/Cb + (Cs/Cs3/Cd - Cs/Cs4) -557 Cs-(Cds-Cdd)CbCsCs Cs-(Cds-Cdd-Cd)CbCsCs -558 Cs-(Cds-Cdd-Od)CbCsCs Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs -559 Cs-(Cds-Cdd-Cd)CbCsCs Cs-(Cds-Cds)CbCsCs -560 Cs-CtCtCsCs 1.16 -35.26 3.57 5.98 7.51 8.37 9 9.02 8.34 0.26 0.13 0.13 Cs-CtCtCsCs BOZZELLI =3D Cs/Cs3/Ct + (Cs/Cs3/Ct - Cs/Cs4) -561 Cs-CbCtCsCs 1.16 -35.26 3.57 5.98 7.51 8.37 9 9.02 8.34 0.26 0.13 0.13 Cs-CbCtCsCs BOZZELLI =3D Cs/Cs3/Cb + (Cs/Cs3/Ct - Cs/Cs4) -562 Cs-CbCbCsCs 1.16 -35.26 3.57 5.98 7.51 8.37 9 9.02 8.34 0.26 0.13 0.13 Cs-CbCbCsCs BENSON -563 Cs-CdsCdsCdsCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -564 Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cs Cs-CsCsCsCs -565 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs -566 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs Cs-(Cds-Od)(Cds-Od)CsCs -567 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cs Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cs -568 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cs Cs-(Cds-Cdd-Od)CsCsCs -569 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs -570 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -571 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs Cs-(Cds-Od)CsCsCs -572 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cs Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cs -573 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs Cs-(Cds-Od)(Cds-Cdd-Od)CsCs -574 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -575 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cs Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs -576 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs -577 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs -578 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs // Would have same value as Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -579 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -580 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs 2.54 -33.96 3.32 5.86 7.57 8.54 9.22 9.36 8.45 0.26 0.13 0.13 Cs-CdCdCdCs BOZZELLI =3D Cs/Cs2/Cd2 + (Cs/Cs3/Cd - Cs/Cs4) -581 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cs -582 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs Cs-(Cds-Cdd-Od)CsCsCs -583 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -584 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cs Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs -585 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs -586 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -587 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -588 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs -589 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cs -590 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -591 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -592 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -593 Cs-CtCdsCdsCs Cs-(Cds-Cds)(Cds-Cds)CtCs -594 Cs-(Cds-Od)(Cds-Od)CtCs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs -595 Cs-(Cds-Od)(Cds-Cd)CtCs Cs-(Cds-Od)(Cds-Cds)CtCs -596 Cs-(Cds-Od)(Cds-Cds)CtCs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -597 Cs-(Cds-Od)(Cds-Cdd)CtCs Cs-(Cds-Od)(Cds-Cdd-Cd)CtCs -598 Cs-(Cds-Od)(Cds-Cdd-Od)CtCs Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs -599 Cs-(Cds-Od)(Cds-Cdd-Cd)CtCs Cs-(Cds-Od)(Cds-Cds)CtCs -600 Cs-(Cds-Cd)(Cds-Cd)CtCs Cs-(Cds-Cds)(Cds-Cds)CtCs -601 Cs-(Cds-Cds)(Cds-Cds)CtCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -602 Cs-(Cds-Cdd)(Cds-Cds)CtCs Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCs -603 Cs-(Cds-Cdd-Od)(Cds-Cds)CtCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -604 Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCs Cs-(Cds-Cds)(Cds-Cds)CtCs -605 Cs-(Cds-Cdd)(Cds-Cdd)CtCs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCs -606 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCs Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -607 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCs Cs-(Cds-Cdd-Od)(Cds-Cds)CtCs -608 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCs Cs-(Cds-Cds)(Cds-Cds)CtCs -609 Cs-CbCdsCdsCs Cs-(Cds-Cds)(Cds-Cds)CbCs -610 Cs-(Cds-Od)(Cds-Od)CbCs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs -611 Cs-(Cds-Od)(Cds-Cd)CbCs Cs-(Cds-Od)(Cds-Cds)CbCs -612 Cs-(Cds-Od)(Cds-Cds)CbCs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -613 Cs-(Cds-Od)(Cds-Cdd)CbCs Cs-(Cds-Od)(Cds-Cdd-Cd)CbCs -614 Cs-(Cds-Od)(Cds-Cdd-Od)CbCs Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs -615 Cs-(Cds-Od)(Cds-Cdd-Cd)CbCs Cs-(Cds-Od)(Cds-Cds)CbCs -616 Cs-(Cds-Cd)(Cds-Cd)CbCs Cs-(Cds-Cds)(Cds-Cds)CbCs -617 Cs-(Cds-Cds)(Cds-Cds)CbCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -618 Cs-(Cds-Cdd)(Cds-Cds)CbCs Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCs -619 Cs-(Cds-Cdd-Od)(Cds-Cds)CbCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -620 Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCs Cs-(Cds-Cds)(Cds-Cds)CbCs -621 Cs-(Cds-Cdd)(Cds-Cdd)CbCs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCs -622 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCs Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -623 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCs Cs-(Cds-Cdd-Od)(Cds-Cds)CbCs -624 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCs Cs-(Cds-Cds)(Cds-Cds)CbCs -625 Cs-CtCtCdsCs Cs-(Cds-Cds)CtCtCs -626 Cs-(Cds-Od)CtCtCs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -627 Cs-(Cds-Cd)CtCtCs Cs-(Cds-Cds)CtCtCs -628 Cs-(Cds-Cds)CtCtCs 5.10 -34.88 3.99 7.36 8.89 9.58 9.76 9.16 7.25 0.26 0.13 0.13 Cs-CtCtCdCs BOZZELLI =3D Cs/Cd2/Cs2 + (Cs/Cs3/Ct - Cs/Cs4) -629 Cs-(Cds-Cdd)CtCtCs Cs-(Cds-Cdd-Cd)CtCtCs -630 Cs-(Cds-Cdd-Od)CtCtCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -631 Cs-(Cds-Cdd-Cd)CtCtCs Cs-(Cds-Cds)CtCtCs -632 Cs-CbCtCdsCs Cs-(Cds-Cds)CbCtCs -633 Cs-(Cds-Od)CbCtCs Cs-(Cds-Od)(Cds-Cds)CtCs -634 Cs-(Cds-Cd)CbCtCs Cs-(Cds-Cds)CbCtCs -635 Cs-(Cds-Cds)CbCtCs 5.10 -34.88 3.99 7.36 8.89 9.58 9.76 9.16 7.25 0.26 0.13 0.13 Cs-CbCtCdCs BOZZELLI =3D Cs/Cb/Cd/Cs2 + (Cs/Cs3/Ct - Cs/Cs4) -636 Cs-(Cds-Cdd)CbCtCs Cs-(Cds-Cdd-Cd)CbCtCs -637 Cs-(Cds-Cdd-Od)CbCtCs Cs-(Cds-Cdd-Od)(Cds-Cds)CtCs -638 Cs-(Cds-Cdd-Cd)CbCtCs 5.10 -34.88 3.99 7.36 8.89 9.58 9.76 9.16 7.25 0.26 0.13 0.13 Cs-CbCtCdCs BOZZELLI =3D Cs/Cb/Cd/Cs2 + (Cs/Cs3/Ct - Cs/Cs4) -639 Cs-CbCbCdsCs Cs-(Cds-Cds)CbCbCs -640 Cs-(Cds-Od)CbCbCs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -641 Cs-(Cds-Cd)CbCbCs Cs-(Cds-Cds)CbCbCs -642 Cs-(Cds-Cds)CbCbCs 5.10 -34.88 3.99 7.36 8.89 9.58 9.76 9.16 7.25 0.26 0.13 0.13 Cs-CbCbCdCs BOZZELLI =3D Cs/Cs2/Cb2 + (Cs/Cs3/Cd - Cs/Cs4) -643 Cs-(Cds-Cdd)CbCbCs Cs-(Cds-Cdd-Cd)CbCbCs -644 Cs-(Cds-Cdd-Od)CbCbCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -645 Cs-(Cds-Cdd-Cd)CbCbCs Cs-(Cds-Cds)CbCbCs -646 Cs-CtCtCtCs 6.23 -35.34 4.37 8.11 9.55 10.1 10.03 9.36 6.65 0.26 0.13 0.13 Cs-CtCtCtCs BOZZELLI =3D Cs/Cs2/Ct2 + (Cs/Cs3/Ct - Cs/Cs4) -647 Cs-CbCtCtCs 6.23 -35.34 4.37 8.11 9.55 10.1 10.03 9.36 6.65 0.26 0.13 0.13 Cs-CbCtCtCs BOZZELLI =3D Cs/Cs2/Cb/Ct + (Cs/Cs3/Ct - Cs/Cs4) -648 Cs-CbCbCtCs 6.43 -35.34 4.37 8.11 9.55 10.1 10.03 9.36 6.65 0.26 0.13 0.13 Cs-CbCbCtCs BOZZELLI =3D Cs/Cs2/Cb2 + (Cs/Cs3/Ct - Cs/Cs4) -649 Cs-CbCbCbCs 6.23 -35.34 4.37 8.11 9.55 10.1 10.03 9.36 6.65 0.26 0.13 0.13 Cs-CbCbCbCs BOZZELLI =3D Cs/Cs2/Cb2 + (Cs/Cs3/Cb - Cs/Cs4) -650 Cs-CdsCdsCdsCds Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -651 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Od) Cs-CsCsCsCs -652 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cd) Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) -653 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cs -654 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd) Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Cd) -655 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)CsCsCs -656 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) -657 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)(Cds-Cd) Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -658 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) Cs-(Cds-Od)(Cds-Od)CsCs -659 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cds) Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds) -660 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cs -661 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds) Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -662 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -663 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs -664 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) -665 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -666 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)(Cds-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -667 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) Cs-(Cds-Od)CsCsCs -668 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) -669 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) Cs-(Cds-Od)(Cds-Cdd-Od)CsCs -670 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -671 Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -672 Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -673 Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -674 Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -675 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -676 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -677 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -678 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -679 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) // Would have same value as Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -680 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)(Cds-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -681 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) Cs-CsCsCsCs -682 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) -683 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)CsCsCs -684 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) // Would have same value as Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -685 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -686 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs -687 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -688 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) // Would have same value as Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -689 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -690 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -691 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -692 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -693 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -694 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -695 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -696 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) -697 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -698 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -699 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -700 Cs-CtCdsCdsCds Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -701 Cs-(Cds-Od)(Cds-Od)(Cds-Od)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) -702 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct -703 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -704 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Ct -705 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) -706 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct -707 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct -708 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -709 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Ct Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Ct -710 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -711 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct -712 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Ct Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct -713 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -714 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Ct -715 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct -716 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -717 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -718 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Ct -719 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -720 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -721 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Ct Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct -722 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -723 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct -724 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -725 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Ct Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct -726 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) -727 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct -728 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct -729 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -730 Cs-CbCdsCdsCds Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb -731 Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) -732 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cb -733 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -734 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cb -735 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) -736 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cb -737 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb -738 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -739 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cb Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cb -740 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -741 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb -742 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cb Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb -743 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -744 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cb -745 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb -746 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb -747 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -748 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cb -749 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -750 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb -751 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cb Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb -752 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -753 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cb -754 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb -755 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cb Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb -756 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) -757 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb -758 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cb -759 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb -760 Cs-CtCtCdsCds Cs-(Cds-Cds)(Cds-Cds)CtCt -761 Cs-(Cds-Od)(Cds-Od)CtCt Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -762 Cs-(Cds-Od)(Cds-Cd)CtCt Cs-(Cds-Od)(Cds-Cds)CtCt -763 Cs-(Cds-Od)(Cds-Cds)CtCt Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -764 Cs-(Cds-Od)(Cds-Cdd)CtCt Cs-(Cds-Od)(Cds-Cdd-Cd)CtCt -765 Cs-(Cds-Od)(Cds-Cdd-Od)CtCt Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -766 Cs-(Cds-Od)(Cds-Cdd-Cd)CtCt Cs-(Cds-Od)(Cds-Cds)CtCt -767 Cs-(Cds-Cd)(Cds-Cd)CtCt Cs-(Cds-Cds)(Cds-Cds)CtCt -768 Cs-(Cds-Cds)(Cds-Cds)CtCt 5.48 -34.5 3.61 7.3 8.97 9.69 9.84 9.42 7.36 0.26 0.13 0.13 Cs-CtCtCdCd BOZZELLI =3D Cs/Cs/Cd/Ct2 + (Cs/Cs3/Cd - Cs/Cs4) -769 Cs-(Cds-Cdd)(Cds-Cds)CtCt Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCt -770 Cs-(Cds-Cdd-Od)(Cds-Cds)CtCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -771 Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCt Cs-(Cds-Cds)(Cds-Cds)CtCt // Would have same value as Cs-(Cds-Cds)(Cds-Cds)CtCt -772 Cs-(Cds-Cdd)(Cds-Cdd)CtCt Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCt -773 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -774 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCt Cs-(Cds-Cdd-Od)(Cds-Cds)CtCt -775 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCt Cs-(Cds-Cds)(Cds-Cds)CtCt -776 Cs-CbCtCdsCds Cs-(Cds-Cds)(Cds-Cds)CbCt -777 Cs-(Cds-Od)(Cds-Od)CbCt Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct -778 Cs-(Cds-Od)(Cds-Cd)CbCt Cs-(Cds-Od)(Cds-Cds)CbCt -779 Cs-(Cds-Od)(Cds-Cds)CbCt Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct -780 Cs-(Cds-Od)(Cds-Cdd)CbCt Cs-(Cds-Od)(Cds-Cdd-Cd)CbCt -781 Cs-(Cds-Od)(Cds-Cdd-Od)CbCt Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Ct -782 Cs-(Cds-Od)(Cds-Cdd-Cd)CbCt Cs-(Cds-Od)(Cds-Cds)CbCt -783 Cs-(Cds-Cd)(Cds-Cd)CbCt Cs-(Cds-Cds)(Cds-Cds)CbCt -784 Cs-(Cds-Cds)(Cds-Cds)CbCt 5.48 -34.5 3.61 7.3 8.97 9.69 9.84 9.42 7.36 0.26 0.13 0.13 Cs-CbCtCdCd BOZZELLI =3D Cs/Cs/Cb/Cd2 + (Cs/Cs3/Ct - Cs/Cs4) -785 Cs-(Cds-Cdd)(Cds-Cds)CbCt Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCt -786 Cs-(Cds-Cdd-Od)(Cds-Cds)CbCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct -787 Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCt Cs-(Cds-Cds)(Cds-Cds)CbCt -788 Cs-(Cds-Cdd)(Cds-Cdd)CbCt Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCt -789 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCt Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct -790 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCt Cs-(Cds-Cdd-Od)(Cds-Cds)CbCt -791 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCt Cs-(Cds-Cds)(Cds-Cds)CbCt -792 Cs-CbCbCdsCds Cs-(Cds-Cds)(Cds-Cds)CbCb -793 Cs-(Cds-Od)(Cds-Od)CbCb Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -794 Cs-(Cds-Od)(Cds-Cd)CbCb Cs-(Cds-Od)(Cds-Cds)CbCb -795 Cs-(Cds-Od)(Cds-Cds)CbCb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -796 Cs-(Cds-Od)(Cds-Cdd)CbCb Cs-(Cds-Od)(Cds-Cdd-Cd)CbCb -797 Cs-(Cds-Od)(Cds-Cdd-Od)CbCb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -798 Cs-(Cds-Od)(Cds-Cdd-Cd)CbCb Cs-(Cds-Od)(Cds-Cds)CbCb -799 Cs-(Cds-Cd)(Cds-Cd)CbCb Cs-(Cds-Cds)(Cds-Cds)CbCb -800 Cs-(Cds-Cds)(Cds-Cds)CbCb 5.48 -34.5 3.61 7.3 8.97 9.69 9.84 9.42 7.36 0.26 0.13 0.13 Cs-CbCbCdCd BOZZELLI =3D Cs/Cs/Cb2/Cd + (Cs/Cs3/Cd - Cs/Cs4) -801 Cs-(Cds-Cdd)(Cds-Cds)CbCb Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCb -802 Cs-(Cds-Cdd-Od)(Cds-Cds)CbCb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -803 Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCb Cs-(Cds-Cds)(Cds-Cds)CbCb -804 Cs-(Cds-Cdd)(Cds-Cdd)CbCb Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCb -805 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -806 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCb Cs-(Cds-Cdd-Od)(Cds-Cds)CbCb -807 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCb Cs-(Cds-Cds)(Cds-Cds)CbCb -808 Cs-CtCtCtCds Cs-(Cds-Cds)CtCtCt -809 Cs-(Cds-Od)CtCtCt Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -810 Cs-(Cds-Cds)CtCtCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -811 Cs-(Cds-Cdd)CtCtCt Cs-(Cds-Cdd-Cd)CtCtCt -812 Cs-(Cds-Cdd-Od)CtCtCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -813 Cs-(Cds-Cdd-Cd)CtCtCt Cs-(Cds-Cds)CtCtCt // Would have same value as Cs-(Cds-Cds)CtCtCt -814 Cs-CbCtCtCds Cs-(Cds-Cds)CbCtCt -815 Cs-(Cds-Od)CbCtCt Cs-(Cds-Od)(Cds-Cds)CtCt -816 Cs-(Cds-Cd)CbCtCt Cs-(Cds-Cds)CbCtCt -817 Cs-(Cds-Cds)CbCtCt Cs-(Cds-Cds)(Cds-Cds)CtCt -818 Cs-(Cds-Cdd)CbCtCt Cs-(Cds-Cdd-Cd)CbCtCt -819 Cs-(Cds-Cdd-Od)CbCtCt Cs-(Cds-Cdd-Od)(Cds-Cds)CtCt -820 Cs-(Cds-Cdd-Cd)CbCtCt Cs-(Cds-Cds)CbCtCt -821 Cs-CbCbCtCds Cs-(Cds-Cds)CbCbCt -822 Cs-(Cds-Od)CbCbCt Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct -823 Cs-(Cds-Cd)CbCbCt Cs-(Cds-Cds)CbCbCt -824 Cs-(Cds-Cds)CbCbCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -825 Cs-(Cds-Cdd)CbCbCt Cs-(Cds-Cdd-Cd)CbCbCt -826 Cs-(Cds-Cdd-Od)CbCbCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct -827 Cs-(Cds-Cdd-Cd)CbCbCt Cs-(Cds-Cds)CbCbCt -828 Cs-CbCbCbCds Cs-(Cds-Cds)CbCbCb -829 Cs-(Cds-Od)CbCbCb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -830 Cs-(Cds-Cd)CbCbCb Cs-(Cds-Cds)CbCbCb -831 Cs-(Cds-Cds)CbCbCb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -832 Cs-(Cds-Cdd)CbCbCb Cs-(Cds-Cdd-Cd)CbCbCb -833 Cs-(Cds-Cdd-Od)CbCbCb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -834 Cs-(Cds-Cdd-Cd)CbCbCb Cs-(Cds-Cds)CbCbCb -835 Cs-CtCtCtCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -836 Cs-CbCtCtCt Cs-(Cds-Cds)CtCtCt -837 Cs-CbCbCtCt Cs-(Cds-Cds)(Cds-Cds)CtCt -838 Cs-CbCbCbCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -839 Cs-CbCbCbCb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -840 Cs-CCCOs Cs-CsCsCsOs -841 Cs-CsCsCsOs -6.6 -33.56 4.33 6.19 7.25 7.7 8.2 8.24 8.24 0.4 0.2 0.2 Cs-OCsCsCs BENSON !!!WARNING! Cp1500 value taken as Cp1000 -842 Cs-CdsCsCsOs Cs-(Cds-Cds)CsCsOs -843 Cs-(Cds-Od)CsCsOs -3.6 -34.72 3.99 6.04 7.43 8.26 8.92 8.96 8.23 0.4 0.2 0.2 "Cs-OCOCsCs Hf BENSON S,Cp =3D C/Cd/C3" -844 Cs-(Cds-Cd)CsCsOs Cs-(Cds-Cds)CsCsOs -845 Cs-(Cds-Cds)CsCsOs -6.6 -32.56 4.63 6.79 7.95 8.4 8.8 8.44 8.44 0.4 0.2 0.2 "Cs-OCdCsCs BOZZELLI C/C3/O - (C/C3/H - C/Cb/C2/H), Hf-1 !!!WARNING! Cp1500 value taken as Cp1000" -846 Cs-(Cds-Cdd)CsCsOs Cs-(Cds-Cdd-Cd)CsCsOs -847 Cs-(Cds-Cdd-Od)CsCsOs -9.725 -36.50 8.39 9.66 10.03 10.07 9.64 9.26 8.74 0.4 0.2 0.2 {C/CCO/O/C2} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -848 Cs-(Cds-Cdd-Cd)CsCsOs Cs-(Cds-Cds)CsCsOs -849 Cs-OsCtCsCs Cs-(Cds-Cds)CsCsOs -850 Cs-CbCsCsOs -6.6 -32.56 4.63 6.79 7.95 8.4 8.8 8.44 8.44 0.4 0.2 0.2 "Cs-OCbCsCs BOZZELLI C/C3/O - (C/C3/H - C/Cb/C2/H), Hf-1 !!!WARNING! Cp1500 value taken as Cp1000" -851 Cs-CdsCdsCsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -852 Cs-(Cds-Od)(Cds-Od)CsOs Cs-CsCsCsOs -853 Cs-(Cds-Od)(Cds-Cd)CsOs Cs-(Cds-Od)(Cds-Cds)CsOs -854 Cs-(Cds-Od)(Cds-Cds)CsOs Cs-(Cds-Od)CsCsOs -855 Cs-(Cds-Od)(Cds-Cdd)CsOs Cs-(Cds-Od)(Cds-Cdd-Cd)CsOs -856 Cs-(Cds-Od)(Cds-Cdd-Od)CsOs Cs-(Cds-Cdd-Od)CsCsOs -857 Cs-(Cds-Od)(Cds-Cdd-Cd)CsOs Cs-(Cds-Od)(Cds-Cds)CsOs -858 Cs-(Cds-Cd)(Cds-Cd)CsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -859 Cs-(Cds-Cds)(Cds-Cds)CsOs -8.01 -34.34 3.61 5.98 7.51 8.37 9 9.02 8.34 0.4 0.2 0.2 "Cs-OCdCdCs Hf jwb 697 S,Cp from C/Cd2/C2" -860 Cs-(Cds-Cdd)(Cds-Cds)CsOs Cs-(Cds-Cdd-Cd)(Cds-Cds)CsOs -861 Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs Cs-(Cds-Cdd-Od)CsCsOs -862 Cs-(Cds-Cdd-Cd)(Cds-Cds)CsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -863 Cs-(Cds-Cdd)(Cds-Cdd)CsOs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsOs -864 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -865 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsOs Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs -866 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -867 Cs-CtCdsCsOs Cs-(Cds-Cds)CtCsOs -868 Cs-(Cds-Od)CtCsOs Cs-(Cds-Od)(Cds-Cds)CsOs -869 Cs-(Cds-Cd)CtCsOs Cs-(Cds-Cds)CtCsOs -870 Cs-(Cds-Cds)CtCsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -871 Cs-(Cds-Cdd)CtCsOs Cs-(Cds-Cdd-Cd)CtCsOs -872 Cs-(Cds-Cdd-Od)CtCsOs Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs -873 Cs-(Cds-Cdd-Cd)CtCsOs Cs-(Cds-Cds)CtCsOs -874 Cs-CbCdsCsOs Cs-(Cds-Cds)CbCsOs -875 Cs-(Cds-Od)CbCsOs Cs-(Cds-Od)(Cds-Cds)CsOs -876 Cs-(Cds-Cd)CbCsOs Cs-(Cds-Cds)CbCsOs -877 Cs-(Cds-Cds)CbCsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -878 Cs-(Cds-Cdd)CbCsOs Cs-(Cds-Cdd-Cd)CbCsOs -879 Cs-(Cds-Cdd-Od)CbCsOs Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs -880 Cs-(Cds-Cdd-Cd)CbCsOs Cs-(Cds-Cds)CbCsOs -881 Cs-CtCtCsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -882 Cs-CbCtCsOs Cs-(Cds-Cds)CtCsOs -883 Cs-CbCbCsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -884 Cs-CdsCdsCdsOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -885 Cs-(Cds-Od)(Cds-Od)(Cds-Od)Os Cs-CsCsCsOs -886 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Os Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os -887 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os Cs-(Cds-Od)(Cds-Od)CsOs -888 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Os Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Os -889 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Os Cs-(Cds-Cdd-Od)CsCsOs -890 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Os Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os -891 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Os Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -892 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os Cs-(Cds-Od)CsCsOs -893 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Os Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Os -894 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os Cs-(Cds-Od)(Cds-Cdd-Od)CsOs -895 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Os Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -896 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Os Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os -897 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsOs -898 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os -899 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -900 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -901 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os Cs-CsCsCsOs -902 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Os -903 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os Cs-(Cds-Cdd-Od)CsCsOs -904 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -905 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Os Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os -906 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsOs -907 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -908 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -909 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Os Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os -910 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -911 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os -912 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -913 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -914 Cs-CtCdsCdsOs Cs-(Cds-Cds)(Cds-Cds)CtOs -915 Cs-(Cds-Od)(Cds-Od)CtOs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os -916 Cs-(Cds-Od)(Cds-Cd)CtOs Cs-(Cds-Od)(Cds-Cds)CtOs -917 Cs-(Cds-Od)(Cds-Cds)CtOs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -918 Cs-(Cds-Od)(Cds-Cdd)CtOs Cs-(Cds-Od)(Cds-Cdd-Cd)CtOs -919 Cs-(Cds-Od)(Cds-Cdd-Od)CtOs Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os -920 Cs-(Cds-Od)(Cds-Cdd-Cd)CtOs Cs-(Cds-Od)(Cds-Cds)CtOs -921 Cs-(Cds-Cd)(Cds-Cd)CtOs Cs-(Cds-Cds)(Cds-Cds)CtOs -922 Cs-(Cds-Cds)(Cds-Cds)CtOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -923 Cs-(Cds-Cdd)(Cds-Cds)CtOs Cs-(Cds-Cdd-Cd)(Cds-Cds)CtOs -924 Cs-(Cds-Cdd-Od)(Cds-Cds)CtOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -925 Cs-(Cds-Cdd-Cd)(Cds-Cds)CtOs Cs-(Cds-Cds)(Cds-Cds)CtOs -926 Cs-(Cds-Cdd)(Cds-Cdd)CtOs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtOs -927 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtOs Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os -928 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtOs Cs-(Cds-Cdd-Od)(Cds-Cds)CtOs -929 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtOs Cs-(Cds-Cds)(Cds-Cds)CtOs -930 Cs-CbCdsCdsOs Cs-(Cds-Cds)(Cds-Cds)CbOs -931 Cs-(Cds-Od)(Cds-Od)CbOs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os -932 Cs-(Cds-Od)(Cds-Cd)CbOs Cs-(Cds-Od)(Cds-Cds)CbOs -933 Cs-(Cds-Od)(Cds-Cds)CbOs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -934 Cs-(Cds-Od)(Cds-Cdd)CbOs Cs-(Cds-Od)(Cds-Cdd-Cd)CbOs -935 Cs-(Cds-Od)(Cds-Cdd-Od)CbOs Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os -936 Cs-(Cds-Od)(Cds-Cdd-Cd)CbOs Cs-(Cds-Od)(Cds-Cds)CbOs -937 Cs-(Cds-Cd)(Cds-Cd)CbOs Cs-(Cds-Cds)(Cds-Cds)CbOs -938 Cs-(Cds-Cds)(Cds-Cds)CbOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -939 Cs-(Cds-Cdd)(Cds-Cds)CbOs Cs-(Cds-Cdd-Cd)(Cds-Cds)CbOs -940 Cs-(Cds-Cdd-Od)(Cds-Cds)CbOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -941 Cs-(Cds-Cdd-Cd)(Cds-Cds)CbOs Cs-(Cds-Cds)(Cds-Cds)CbOs -942 Cs-(Cds-Cdd)(Cds-Cdd)CbOs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbOs -943 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbOs Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os -944 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbOs Cs-(Cds-Cdd-Od)(Cds-Cds)CbOs -945 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbOs Cs-(Cds-Cds)(Cds-Cds)CbOs -946 Cs-CtCtCdsOs Cs-(Cds-Cds)CtCtOs -947 Cs-(Cds-Od)CtCtOs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -948 Cs-(Cds-Cd)CtCtOs Cs-(Cds-Cds)CtCtOs -949 Cs-(Cds-Cds)CtCtOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -950 Cs-(Cds-Cdd)CtCtOs Cs-(Cds-Cdd-Cd)CtCtOs -951 Cs-(Cds-Cdd-Od)CtCtOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -952 Cs-(Cds-Cdd-Cd)CtCtOs Cs-(Cds-Cds)CtCtOs -953 Cs-CbCtCdsOs Cs-(Cds-Cds)CbCtOs -954 Cs-(Cds-Od)CbCtOs Cs-(Cds-Od)(Cds-Cds)CtOs -955 Cs-(Cds-Cd)CbCtOs Cs-(Cds-Cds)CbCtOs -956 Cs-(Cds-Cds)CbCtOs Cs-(Cds-Cds)(Cds-Cds)CtOs -957 Cs-(Cds-Cdd)CbCtOs Cs-(Cds-Cdd-Cd)CbCtOs -958 Cs-(Cds-Cdd-Od)CbCtOs Cs-(Cds-Cdd-Od)(Cds-Cds)CtOs -959 Cs-(Cds-Cdd-Cd)CbCtOs Cs-(Cds-Cds)CbCtOs -960 Cs-CbCbCdsOs Cs-(Cds-Cds)CbCbOs -961 Cs-(Cds-Od)CbCbOs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -962 Cs-(Cds-Cd)CbCbOs Cs-(Cds-Cds)CbCbOs -963 Cs-(Cds-Cds)CbCbOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -964 Cs-(Cds-Cdd)CbCbOs Cs-(Cds-Cdd-Cd)CbCbOs -965 Cs-(Cds-Cdd-Od)CbCbOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -966 Cs-(Cds-Cdd-Cd)CbCbOs Cs-(Cds-Cds)CbCbOs -967 Cs-CtCtCtOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -968 Cs-CbCtCtOs Cs-(Cds-Cds)CtCtOs -969 Cs-CbCbCtOs Cs-(Cds-Cds)(Cds-Cds)CtOs -970 Cs-CbCbCbOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -971 Cs-CCOsOs Cs-CsCsOsOs -972 Cs-CsCsOsOs -9.77 -33.18 3.8 6.09 7.3 7.78 8.24 8.24 8.24 0.4 0.2 0.2 Cs-OOCsCs BOZZELLI =3D C/C3/O - (C/C2/H2 - C/C/H2/O) !!!WARNING! Cp1500 value taken as Cp1000 -973 Cs-CdsCsOsOs Cs-(Cds-Cds)CsOsOs -974 Cs-(Cds-Od)CsOsOs Cs-CsCsOsOs -975 Cs-(Cds-Cd)CsOsOs Cs-(Cds-Cds)CsOsOs -976 Cs-(Cds-Cds)CsOsOs Cs-CsCsOsOs -977 Cs-(Cds-Cdd)CsOsOs Cs-(Cds-Cdd-Cd)CsOsOs -978 Cs-(Cds-Cdd-Od)CsOsOs Cs-(Cds-Cds)CsOsOs -979 Cs-(Cds-Cdd-Cd)CsOsOs Cs-(Cds-Cds)CsOsOs -980 Cs-CdsCdsOsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -981 Cs-(Cds-Od)(Cds-Od)OsOs Cs-CsCsOsOs -982 Cs-(Cds-Od)(Cds-Cd)OsOs Cs-(Cds-Od)(Cds-Cds)OsOs -983 Cs-(Cds-Od)(Cds-Cds)OsOs Cs-(Cds-Od)CsOsOs -984 Cs-(Cds-Od)(Cds-Cdd)OsOs Cs-(Cds-Od)(Cds-Cdd-Cd)OsOs -985 Cs-(Cds-Od)(Cds-Cdd-Od)OsOs Cs-(Cds-Cdd-Od)CsOsOs -986 Cs-(Cds-Od)(Cds-Cdd-Cd)OsOs Cs-(Cds-Od)(Cds-Cds)OsOs -987 Cs-(Cds-Cd)(Cds-Cd)OsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -988 Cs-(Cds-Cds)(Cds-Cds)OsOs Cs-CsCsOsOs -989 Cs-(Cds-Cdd)(Cds-Cds)OsOs Cs-(Cds-Cdd-Cd)(Cds-Cds)OsOs -990 Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs Cs-(Cds-Cdd-Od)CsOsOs -991 Cs-(Cds-Cdd-Cd)(Cds-Cds)OsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -992 Cs-(Cds-Cdd)(Cds-Cdd)OsOs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsOs -993 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -994 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsOs Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs -995 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -996 Cs-CtCsOsOs Cs-(Cds-Cds)CsOsOs -997 Cs-CtCdsOsOs Cs-(Cds-Cds)CtOsOs -998 Cs-(Cds-Od)CtOsOs Cs-(Cds-Od)(Cds-Cds)OsOs -999 Cs-(Cds-Cd)CtOsOs Cs-(Cds-Cds)CtOsOs -1000 Cs-(Cds-Cds)CtOsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -1001 Cs-(Cds-Cdd)CtOsOs Cs-(Cds-Cdd-Cd)CtOsOs -1002 Cs-(Cds-Cdd-Od)CtOsOs Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs -1003 Cs-(Cds-Cdd-Cd)CtOsOs Cs-(Cds-Cds)CtOsOs -1004 Cs-CtCtOsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -1005 Cs-CbCsOsOs Cs-(Cds-Cds)CsOsOs -1006 Cs-CbCdsOsOs Cs-(Cds-Cds)CbOsOs -1007 Cs-(Cds-Od)CbOsOs Cs-(Cds-Od)(Cds-Cds)OsOs -1008 Cs-(Cds-Cd)CbOsOs Cs-(Cds-Cds)CbOsOs -1009 Cs-(Cds-Cds)CbOsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -1010 Cs-(Cds-Cdd)CbOsOs Cs-(Cds-Cdd-Cd)CbOsOs -1011 Cs-(Cds-Cdd-Od)CbOsOs Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs -1012 Cs-(Cds-Cdd-Cd)CbOsOs Cs-(Cds-Cds)CbOsOs -1013 Cs-CbCtOsOs Cs-(Cds-Cds)CtOsOs -1014 Cs-CbCbOsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -1015 Cs-COsOsOs Cs-CsOsOsOs -1016 Cs-CsOsOsOs -19 -33.56 4.33 6.19 7.25 7.7 8.2 8.24 8.24 0.4 0.2 0.2 Cs-OOOCs BOZZELLI est !!!WARNING! Cp1500 value taken as Cp1000 -1017 Cs-CdsOsOsOs Cs-(Cds-Cds)OsOsOs -1018 Cs-(Cds-Od)OsOsOs Cs-CsOsOsOs -1019 Cs-(Cds-Cd)OsOsOs Cs-(Cds-Cds)OsOsOs -1020 Cs-(Cds-Cds)OsOsOs Cs-CsOsOsOs -1021 Cs-(Cds-Cdd)OsOsOs Cs-(Cds-Cdd-Cd)OsOsOs -1022 Cs-(Cds-Cdd-Od)OsOsOs Cs-(Cds-Cds)OsOsOs -1023 Cs-(Cds-Cdd-Cd)OsOsOs Cs-(Cds-Cds)OsOsOs -1024 Cs-CtOsOsOs Cs-(Cds-Cds)OsOsOs -1025 Cs-CbOsOsOs Cs-(Cds-Cds)OsOsOs -1026 Cs-OsOsOsOs -23 -35.56 4.33 6.13 7.25 7.7 8.2 8.24 8.24 0.4 0.2 0.2 Cs-OOOO BOZZELLI est !!!WARNING! Cp1500 value taken as Cp1000 -1027 Cs-COsOsH Cs-CsOsOsH -1028 Cs-CsOsOsH -16 -12.07 5.25 7.1 8.81 9.55 10.31 11.05 11.05 0.24 0.12 0.12 "Cs-OOCsH BENSON Hf, BOZZELLI C/C3/H - C/C2/O/H !!!WARNING! Cp1500 value taken as Cp1000" -1029 Cs-CdsOsOsH Cs-(Cds-Cds)OsOsH -1030 Cs-(Cds-Od)OsOsH Cs-CsOsOsH -1031 Cs-(Cds-Cd)OsOsH Cs-(Cds-Cds)OsOsH -1032 Cs-(Cds-Cds)OsOsH Cs-CsOsOsH -1033 Cs-(Cds-Cdd)OsOsH Cs-(Cds-Cdd-Cd)OsOsH -1034 Cs-(Cds-Cdd-Od)OsOsH Cs-(Cds-Cds)OsOsH -1035 Cs-(Cds-Cdd-Cd)OsOsH Cs-(Cds-Cds)OsOsH -1036 Cs-CtOsOsH Cs-(Cds-Cds)OsOsH -1037 Cs-CbOsOsH Cs-(Cds-Cds)OsOsH -1038 Cs-CCOsH Cs-CsCsOsH -1039 Cs-CsCsOsH -7.2 -11 4.8 6.64 8.1 8.73 9.81 10.4 11.51 0.24 0.12 0.12 Cs-OCsCs BENSON: Cp1500 =3D Cp1000*(Cp1500/Cp1000: C/C2Cd/H) -1040 Cs-CdsCsOsH Cs-(Cds-Cds)CsOsH -1041 Cs-(Cds-Od)CsOsH -6.0 -11.1 4.47 6.82 8.45 9.17 10.24 10.8 11.02 0.24 0.12 0.12 Cs-OCOCsH BOZZELLI -1042 Cs-(Cds-Cd)CsOsH Cs-(Cds-Cds)CsOsH -1043 Cs-(Cds-Cds)CsOsH -6.0 -11.1 4.47 6.82 8.45 9.17 10.24 10.8 11.02 0.24 0.12 0.12 Cs-OCdCsH BOZZELLI -1044 Cs-(Cds-Cdd)CsOsH Cs-(Cds-Cdd-Cd)CsOsH -1045 Cs-(Cds-Cdd-Od)CsOsH -8.370 -13.04 7.20 8.49 9.33 9.92 10.5 10.92 11.71 0.24 0.12 0.12 {C/CCO/O/C/H} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -1046 Cs-(Cds-Cdd-Cd)CsOsH Cs-(Cds-Cds)CsOsH -1047 Cs-CdsCdsOsH Cs-(Cds-Cds)(Cds-Cds)OsH -1048 Cs-(Cds-Od)(Cds-Od)OsH Cs-CsCsOsH -1049 Cs-(Cds-Od)(Cds-Cd)OsH Cs-(Cds-Od)(Cds-Cds)OsH -1050 Cs-(Cds-Od)(Cds-Cds)OsH Cs-(Cds-Od)CsOsH -1051 Cs-(Cds-Od)(Cds-Cdd)OsH Cs-(Cds-Od)(Cds-Cdd-Cd)OsH -1052 Cs-(Cds-Od)(Cds-Cdd-Od)OsH Cs-(Cds-Cdd-Od)CsOsH -1053 Cs-(Cds-Od)(Cds-Cdd-Cd)OsH Cs-(Cds-Od)(Cds-Cds)OsH -1054 Cs-(Cds-Cd)(Cds-Cd)OsH Cs-(Cds-Cds)(Cds-Cds)OsH -1055 Cs-(Cds-Cds)(Cds-Cds)OsH -6.67 -10.42 4.21 6.6 8.26 9.05 10.23 10.86 11.04 0.24 0.12 0.12 Cs-OCdCdH BOZZELLI -1056 Cs-(Cds-Cdd)(Cds-Cds)OsH Cs-(Cds-Cdd-Cd)(Cds-Cds)OsH -1057 Cs-(Cds-Cdd-Od)(Cds-Cds)OsH Cs-(Cds-Cdd-Od)CsOsH -1058 Cs-(Cds-Cdd-Cd)(Cds-Cds)OsH Cs-(Cds-Cds)(Cds-Cds)OsH -1059 Cs-(Cds-Cdd)(Cds-Cdd)OsH Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsH -1060 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsH Cs-(Cds-Cds)(Cds-Cds)OsH -1061 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsH Cs-(Cds-Cdd-Od)(Cds-Cds)OsH -1062 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsH Cs-(Cds-Cds)(Cds-Cds)OsH -1063 Cs-CtCsOsH Cs-(Cds-Cds)CsOsH -1064 Cs-CtCdsOsH Cs-(Cds-Cds)CtOsH -1065 Cs-(Cds-Od)CtOsH Cs-(Cds-Od)(Cds-Cds)OsH -1066 Cs-(Cds-Cd)CtOsH Cs-(Cds-Cds)CtOsH -1067 Cs-(Cds-Cds)CtOsH Cs-(Cds-Cds)(Cds-Cds)OsH -1068 Cs-(Cds-Cdd)CtOsH Cs-(Cds-Cdd-Cd)CtOsH -1069 Cs-(Cds-Cdd-Od)CtOsH Cs-(Cds-Cdd-Od)(Cds-Cds)OsH -1070 Cs-(Cds-Cdd-Cd)CtOsH Cs-(Cds-Cds)CtOsH -1071 Cs-CtCtOsH Cs-(Cds-Cds)(Cds-Cds)OsH -1072 Cs-CbCsOsH -6.0 -11.1 4.47 6.82 8.45 9.17 10.24 10.8 11.02 0.24 0.12 0.12 Cs-OCbCsH BOZZELLI =3D C/Cd/C/H/O Jul 91 -1073 Cs-CbCdsOsH Cs-(Cds-Cds)CbOsH -1074 Cs-(Cds-Od)CbOsH Cs-(Cds-Od)(Cds-Cds)OsH -1075 Cs-(Cds-Cd)CbOsH Cs-(Cds-Cds)CbOsH -1076 Cs-(Cds-Cds)CbOsH Cs-(Cds-Cds)(Cds-Cds)OsH -1077 Cs-(Cds-Cdd)CbOsH Cs-(Cds-Cdd-Cd)CbOsH -1078 Cs-(Cds-Cdd-Od)CbOsH Cs-(Cds-Cdd-Od)(Cds-Cds)OsH -1079 Cs-(Cds-Cdd-Cd)CbOsH Cs-(Cds-Cds)CbOsH -1080 Cs-CbCtOsH Cs-(Cds-Cds)CtOsH -1081 Cs-CbCbOsH Cs-(Cds-Cds)(Cds-Cds)OsH -1082 Cs-COsHH Cs-CsOsHH -1083 Cs-CsOsHH -8.1 9.8 4.99 6.85 8.3 9.43 11.11 12.33 12.33 0.2 0.1 0.1 Cs-OCsHH BENSON !!!WARNING! Cp1500 value taken as Cp1000 -1084 Cs-CdsOsHH Cs-(Cds-Cds)OsHH -1085 Cs-(Cds-Od)OsHH -5.28 10.17 2.95 6.74 8.53 9.8 11.61 12.65 14.4 0.2 0.1 0.1 Cs-OCOHH jwl 99 cdsQ cc*ocq -1086 Cs-(Cds-Cd)OsHH Cs-(Cds-Cds)OsHH -1087 Cs-(Cds-Cds)OsHH -6.76 9.8 5.12 6.86 8.32 9.49 11.22 12.48 14.4 0.2 0.1 0.1 Cs-OCdHH BOZZELLI Hf PEDLEY c*ccoh C/C/Cd/H2 -1088 Cs-(Cds-Cdd)OsHH Cs-(Cds-Cdd-Cd)OsHH -1089 Cs-(Cds-Cdd-Od)OsHH -8.680 8.43 7.15 8.67 9.75 10.65 11.93 12.97 14.86 0.2 0.1 0.1 {C/CCO/O/H2} RAMAN & GREEN JPCA 2002, 106, 7937-7949 -1090 Cs-(Cds-Cdd-Cd)OsHH Cs-(Cds-Cds)OsHH -1091 Cs-CtOsHH -6.76 9.8 5.12 6.86 8.32 9.49 11.22 12.48 14.4 0.2 0.1 0.1 Cs-OCtHH BOZZELLI assigned C/Cd/H2/O -1092 Cs-CbOsHH Cs-(Cds-Cds)OsHH - -1093 O Os-CsCs -1094 Od Od-Cd -1095 Od-Cd 0 0 0 0 0 0 0 0 0 0 0 0 In this case the C is treated as the central atom -// 1096 Od-Od 0 25.19 3.5 3.61 3.72 3.825 4.035 4.175 4.36 0.001 0 0 "O2 Kee et al., SAND87-8215B, 1994", we cut it half to account for adding two single Od groups, also the symmetric number is considered too. S(group) = (S(o2) + Rln(sigma))/2 -1096 Od-Od 14.01 24.085 3.5 3.575 3.685 3.8 3.99 4.12 4.29 0 0 0 A. Vandeputte pipo's! -1097 Os Os-(Cds-Cd)(Cds-Cd) -1098 Os-HH -57.8 46.51 8.03 8.19 8.42 8.68 9.26 9.86 11.26 0.01 0.002 0 O-HH WATER. !!!Using NIST value for H2O, S(group) = S(H2O) + Rln(2) -1099 Os-OsH -16.3 27.83 5.21 5.72 6.17 6.66 7.15 7.61 8.43 0.14 0.07 0.07 O-OH SANDIA 1/2*H2O2 -1100 Os-OsOs 8.85 9.4 2.2 3.64 4.2 4.34 4.62 4.9 4.9 0.16 0.1 0.1 O-OO LAY 1997=20 !!!WARNING! Cp1500 value taken as Cp1000 -1101 Os-CH Os-CsH -1102 Os-CtH -37.9 29.1 4.3 4.5 4.82 5.23 6.02 6.61 7.44 0.16 0.1 0.1 O-CtH BENSON (Assigned O-CsH) -1103 Os-CdsH Os-(Cds-Cd)H -1104 Os-(Cds-Od)H -58.1 24.5 3.8 5 5.8 6.3 7.2 7.8 7.8 0.16 0.1 0.1 O-COH !!!WARNING! Cp1500 value taken as Cp1000 -1105 Os-(Cds-Cd)H -37.9 29.1 4.3 4.5 4.82 5.23 6.02 6.61 7.44 0.16 0.1 0.1 O-CdH BENSON (Assigned O-CsH) -1106 Os-CsH -37.9 29.07 4.3 4.5 4.82 5.23 6.02 6.61 7.44 0.2 0.1 0.1 O-CsH BENSON -1107 Os-CbH -37.9 29.1 4.3 4.5 4.82 5.23 6.02 6.61 7.44 0.16 0.1 0.1 O-CbH BENSON (Assigned O-CsH) -1108 Os-OsC Os-OsCs -1109 Os-OsCt 7.0 10.8 3.9 4.31 4.6 4.84 5.32 5.8 5.8 0.3 0.15 0.15 "O-OCb Hf JWB plot S,Cp assigned O/O/Cd !!!WARNING! Cp1500 value taken as Cp1000" -1110 Os-OsCds Os-Os(Cds-Cd) -1111 Os-Os(Cds-Od) -23.22 9.11 3.53 5.02 5.79 6.08 6.54 6.49 6.49 0.3 0.15 0.15 O-OCO jwl cbsQ 99 cqcho=20 !!!WARNING! Cp1500 value taken as Cp1000 -1112 Os-Os(Cds-Cd) 1.64 10.12 3.5 3.87 3.95 4.15 4.73 4.89 4.89 0.3 0.15 0.15 "O-OCd WESTMORELAND S,Cp LAY'9405 !!!WARNING! Cp1500 value taken as Cp1000" -1113 Os-OsCs -5.40 8.54 3.9 4.31 4.6 4.84 5.32 5.8 5.8 0.3 0.15 0.15 O-OCs LAY 1997 !!!WARNING! Cp1500 value taken as Cp1000 -1114 Os-OsCb Os-Os(Cds-Cd) -1115 Os-CC Os-(Cds-Cd)(Cds-Cd) -1116 Os-CtCt Os-(Cds-Cd)(Cds-Cd) -1117 Os-CtCds Os-(Cds-Cd)(Cds-Cd) -1118 Os-Ct(Cds-Od) Os-(Cds-Cd)(Cds-Cd) -1119 Os-Ct(Cds-Cd) Os-(Cds-Cd)(Cds-Cd) -1120 Os-CtCs Os-Cs(Cds-Cd) -1121 Os-CtCb Os-(Cds-Cd)(Cds-Cd) -1122 Os-CdsCds Os-(Cds-Cd)(Cds-Cd) -1123 Os-(Cds-Od)(Cds-Od) -46.00 2.5 3.45 4.74 5.28 5.74 5.89 6.1 6.1 0.19 0.1 0.1 "O-COCO Hf BENSON S,Cp Mopac=3D" -1124 Os-(Cds-Od)(Cds-Cd) Os-(Cds-Cd)(Cds-Cd) -1125 Os-(Cds-Cd)(Cds-Cd) -19.61 10 3.4 3.7 3.7 3.8 4.4 4.6 4.8 0.19 0.1 0.1 O-CdCd BOZZELLI//sandeep has changes the value of H on 07/20/04 based on expt value of divinylether. -1126 Os-CdsCs Os-Cs(Cds-Cd) -1127 Os-Cs(Cds-Od) -42.19 8.4 3.91 4.31 4.6 4.84 5.32 5.8 5.8 0.19 0.1 0.1 "O-COCs BOZZELLI Jul91 S,Cp ABaldwin O/Cs/O !!!WARNING! Cp1500 value taken as Cp1000" -1128 Os-Cs(Cds-Cd) -23.73 9.7 3.91 4.31 4.6 4.84 5.32 5.8 5.8 0.19 0.1 0.1 O-CdCs Hf RADOM vin-oh S A.Baldwin O/Cs/O !!!WARNING! Cp1500 value taken as Cp1000 -1129 Os-CsCs -23.20 8.68 3.40 3.70 3.70 3.80 4.40 4.60 4.60 0.19 0.1 0.1 O-CsCs BENSON !!!WARNING! Cp1500 value taken as Cp1000 -1130 Os-CsCb -22.60 9.70 3.40 3.70 3.70 3.80 4.40 4.60 4.60 0.19 0.1 0.1 "O-CbCs REID, PRAUSNITZ and SHERWOOD !!!WARNING! Cp1500 value taken as Cp1000" -1131 Os-CbCb -18.77 13.59 1.19 -0.24 -0.72 -0.51 0.43 1.36 1.75 0.19 0.1 0.1 "O-CbCb CHERN 1/97 Hf PEDLEY, Mopac" - -////////////////////////////////////////////// -// Tree Sulfur atoms // -// Updated August 28 // -// 1D-HR Approximation, CBS-QB3 method // -// Aäron G. Vandeputte // -////////////////////////////////////////////// - -1132 Ss-HH -6.04 50.52 8.15 8.48 8.85 9.26 10.08 10.82 12.10 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1133 Ss-CsH 4.15 32.63 5.94 7.75 9.54 11.17 13.92 16.08 19.59 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1134 Ss-CdH 10.40 33.82 5.54 8.36 10.77 12.74 15.79 18.07 21.70 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1135 Ss-CtH 7.21 31.99 5.95 7.72 8.96 9.94 11.46 12.64 14.57 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1136 Ss-CbH 11.97 34.63 5.11 12.35 18.43 23.32 30.49 35.46 42.75 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1137 Ss-CsCs 10.91 12.67 5.38 8.65 11.63 14.22 18.48 21.83 27.29 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1138 Ss-CsCd 16.12 12.50 6.12 10.03 13.33 16.11 20.52 23.92 29.45 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1139 Ss-CsCt 13.00 13.62 4.95 7.97 10.41 12.42 15.62 18.09 22.12 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1140 Ss-CsCb 18.62 15.24 3.85 12.42 19.75 25.71 34.61 40.89 50.31 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1141 Ss-CdCd 23.32 15.84 4.78 9.59 13.59 16.84 21.80 25.49 31.35 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1142 Ss-CdCt 19.61 13.74 4.72 8.66 11.66 14.00 17.52 20.11 24.27 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1143 Ss-CdCb 24.65 15.96 4.08 13.41 21.22 27.46 36.60 42.96 52.34 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1144 Ss-CtCt 35.99 16.92 6.77 10.44 13.01 14.92 17.66 19.60 22.58 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1145 Ss-CtCb 21.39 14.06 4.33 12.56 19.20 24.46 32.12 37.42 45.27 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1146 Ss-CbCb 25.64 16.78 2.55 16.51 28.18 37.49 50.94 60.10 73.39 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1147 Ss-SsH 1.61 31.72 5.72 6.43 6.97 7.38 7.98 8.39 8.94 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1148 Ss-SsCs 6.12 12.27 5.32 7.10 8.70 10.07 12.26 13.90 16.49 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1149 Ss-SsCd 13.21 14.04 4.97 7.61 9.75 11.45 13.97 15.77 18.51 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1150 Ss-SsCt 11.18 12.53 5.34 6.98 8.00 8.69 9.60 10.23 11.24 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1151 Ss-SsCb 14.78 14.25 4.22 11.32 17.20 21.86 28.52 32.99 39.42 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1152 Ss-SsSs 1.64 10.61 6.25 6.41 6.47 6.51 6.54 6.46 6.02 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1153 Ss-C=SH -6.04 50.52 8.15 8.48 8.85 9.26 10.08 10.82 12.10 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1154 Ss-C=SCs -3.17 31.06 6.34 8.15 10.09 11.83 14.58 16.65 19.97 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1155 Ss-C=SCd 5.21 30.75 6.83 9.74 12.17 14.07 16.84 18.85 22.12 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1156 Ss-C=SCt 5.29 32.70 6.68 7.85 8.84 9.72 11.21 12.42 14.42 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1157 Ss-C=SCb 8.03 34.05 5.95 12.66 18.51 23.30 30.38 35.29 42.46 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1158 Ss-C=SC=S -6.96 50.49 9.45 8.80 8.94 9.48 10.68 11.50 12.27 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1159 Ss-C=SSs -2.86 32.00 7.47 7.27 7.33 7.52 7.90 8.20 8.66 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1160 Sd-Cd 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1161 Sd-Sd 22.82 26.89 3.90 4.08 4.20 4.27 4.35 4.39 4.43 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1162 Cs-SsHHH -10.20 30.41 6.19 6.19 6.19 6.19 6.19 6.19 6.19 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1163 Cs-CsSsHH -5.30 10.57 5.21 6.76 8.13 9.26 11.00 12.26 14.21 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1164 Cs-CdsSsHH -4.83 7.74 8.45 10.34 11.52 12.43 13.87 15.01 16.91 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1165 Cs-CtSsHH -2.08 10.78 5.38 6.57 7.25 7.68 8.20 8.53 9.00 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1166 Cs-CbSsHH -4.19 9.02 6.40 13.06 18.47 22.71 28.74 32.77 38.50 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1167 Cs-SsSsHH -5.93 8.21 8.88 6.67 4.25 2.10 -1.31 -3.86 -7.85 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1168 Cs-C=SSsHH -6.76 6.89 8.98 7.73 5.45 3.16 -0.60 -3.39 -7.64 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1169 Cs-CsCsSsH -2.46 -10.84 4.91 8.03 10.69 12.87 16.18 18.59 22.34 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1170 Cs-CdsCsSsH -2.40 -14.27 7.47 11.88 14.84 16.86 19.66 21.74 25.18 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1171 Cs-CtCsSsH 1.28 -10.73 5.24 7.87 9.80 11.26 13.35 14.83 17.12 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1172 Cs-CbCsSsH -1.66 -12.89 6.25 14.47 21.25 26.58 34.19 39.34 46.79 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1173 Cs-CsSsSsH -3.76 -12.53 8.10 7.42 6.40 5.41 3.70 2.37 0.25 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1174 Cs-C=SCsSsH -3.35 -14.64 7.94 8.65 8.12 7.09 4.93 3.20 0.59 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1175 Cs-CsCsCsSs 0.22 -35.40 4.83 9.66 13.67 16.89 21.72 25.22 30.64 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1176 Cs-C=SHHH -10.20 30.41 6.19 6.19 6.19 6.19 6.19 6.19 6.19 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1177 Cs-C=SCsHH -4.88 9.76 5.20 6.73 8.04 9.13 10.86 12.14 14.13 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1178 Cs-C=SCsCsH -0.70 -10.86 5.15 8.06 10.56 12.65 15.90 18.33 22.16 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1179 Cs-C=SCsCsCs 1.49 -33.75 4.87 9.55 13.41 16.53 21.30 24.82 30.37 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1180 Cds-CdsSsH 2.03 6.20 4.75 4.75 4.75 4.75 4.75 4.75 4.75 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1181 Cds-CdsCsSs 3.45 -14.17 4.23 5.58 6.66 7.62 9.25 10.53 12.58 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1182 Cds-CdsC=SH 2.03 6.20 4.75 4.75 4.75 4.75 4.75 4.75 4.75 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1183 C=S-HH 27.07 56.51 9.08 10.34 11.51 12.50 14.07 15.25 17.14 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1184 C=S-CsH 26.76 37.37 7.70 10.33 12.81 14.95 18.37 20.93 24.95 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1185 C=S-CdsH 30.55 35.43 7.36 11.48 14.90 17.58 21.42 24.07 27.96 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1186 C=S-CtH 30.57 37.03 7.51 10.08 12.04 13.55 15.78 17.37 19.85 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1187 C=S-CbH 31.96 36.38 7.09 15.25 22.13 27.65 35.68 41.14 48.92 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1188 C=S-C=SH 26.41 35.04 7.77 9.14 10.36 11.35 12.76 13.59 14.53 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1189 C=S-SsH 30.44 15.65 6.14 8.01 9.20 9.94 10.78 11.22 11.62 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1190 C=S-CsCs 26.63 16.61 6.25 10.25 14.03 17.32 22.58 26.53 32.68 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1191 C=S-CdsCs 31.81 16.23 7.15 11.89 16.10 19.66 25.17 29.17 35.26 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1192 C=S-CtCs 30.13 17.36 6.59 10.40 13.56 16.15 20.14 23.07 27.63 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1193 C=S-CbCs 33.88 16.77 6.43 15.84 23.88 30.40 39.99 46.61 56.28 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1194 C=S-C=SCs 26.19 16.85 6.78 9.51 11.98 14.01 16.94 18.92 21.88 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1195 Ct-Ss 27.55 6.35 3.13 3.13 3.13 3.13 3.13 3.13 3.13 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1196 Ct-C=S 27.55 6.35 3.13 3.13 3.13 3.13 3.13 3.13 3.13 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1197 Cb-Ss -1.80 -10.20 3.90 3.90 3.90 3.90 3.90 3.90 3.90 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1198 Cb-C=S -1.80 -10.20 3.90 3.90 3.90 3.90 3.90 3.90 3.90 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1199 Cdd-SdSd 24.50 58.24 10.91 11.83 12.49 12.98 13.63 14.01 14.47 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 - -// Has to be rechecked, based on CBS-QB3 calculations for H2C=C=S (Cds-CddHH group = Cds-CdsHH) - -1200 Cdd-CdSd 40.33 34.24 7.88 8.48 8.8 8.99 9.23 9.37 9.58 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 - diff --git a/output/RMG_database_sulfur/thermo_groups/Group_Tree.txt b/output/RMG_database_sulfur/thermo_groups/Group_Tree.txt deleted file mode 100644 index d861ebf189..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Group_Tree.txt +++ /dev/null @@ -1,2003 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// Tree -// -// Jing Song: combine Joanna's carbon tree "CarbonTree_021018.txt" and oxygen Tree in "OxygenTree_021018.txt" -// Nov 7, 2002 -// -///////////////////////////////////////////////////////////////////// - - -////////////////////////////////////////////////////////////////// -// Carbon Tree -// Joanna Yu -// Oct. 18, 2002 -////////////////////////////////////////////////////////////////// - -////////////////////////////////////////////////////////////////// -//Thermo Tree & Nomenclature for groups with C as the central atom -// -//C Carbon atom, bonds are still not defined -//Ct Carbon atom with one triple bond and one single bond -//Cs Carbon atom with four single bonds -//Cd Carbon atom with one double bond and the rest not defined -//Cdd Carbon atom with two double bonds -//Cds Carbon atom with one double bond and two single bonds -//Cb Carbon atom belonging to a benzene ring -//Cbf Carbon atom belonging to a fused benzene ring -//H Hydrogen atom -//Os Oxygen atom with two single bonds -//Od Oxygen atom with one double bond -////////////////////////////////////////////////////////////////// - -L0: R - -L1: C - L2: Cbf - L3: Cbf-CbCbCbf - L3: Cbf-CbCbfCbf - L3: Cbf-CbfCbfCbf - L2: Cb - L3: Cb-H - L3: Cb-Os - L3: Cb-Ss - L3: Cb-C - L4: Cb-Cs - L4: Cb-Cds - L5: Cb-(Cds-Od) // Cb-CO - L5: Cb-C=S // Cb-CS - L5: Cb-(Cds-Cd) - L6: Cb-(Cds-Cds) // Cb-Cd - L6: Cb-(Cds-Cdd) - L7: Cb-(Cds-Cdd-Od) // Cb-Ck - L7: Cb-(Cds-Cdd-Sd) // Cb-Ck - L7: Cb-(Cds-Cdd-Cd) // Cb-Cd - L4: Cb-Ct - L4: Cb-Cb - L2: Ct - L3: Ct-H - L3: Ct-Os - L3: Ct-Ss - L3: Ct-C - L4: Ct-Cs - L4: Ct-Cds - L5: Ct-(Cds-Od) // Ct-CO - L5: Ct-C=S // Ct-CS - L5: Ct-(Cds-Cd) - L6: Ct-(Cds-Cds) // Ct-Cd - L6: Ct-(Cds-Cdd) - L7: Ct-(Cds-Cdd-Od) // Ct-Ck - L7: Ct-(Cds-Cdd-Sd) // Ct-Ck - L7: Ct-(Cds-Cdd-Cd) // Ct-Cd - - L4: Ct-Ct - L4: Ct-Cb - - L2: Cdd - L3: Cdd-OdOd // CO2 - L3: Cdd-SdSd // CS2 - L3: Cdd-CdOd - L4: Cdd-CdsOd // O=C*=C< currently treat the adjacent C as Ck - L4: Cdd-CddOd // O=C*=C= currently not defined - L5: Cdd-(Cdd-Od)Od - L5: Cdd-(Cdd-Cd)Od - L3: Cdd-CdSd - L4: Cdd-CdsSd // S=C*=C< currently treat the adjacent C as Ck - L4: Cdd-CddSd // S=C*=C= currently not defined - L5: Cdd-(Cdd-Sd)Sd - L5: Cdd-(Cdd-Cd)Sd - - L3: Cdd-CdCd // Currently all the nodes under this have one value (Ca) - L4: Cdd-CddCdd // I don't think these groups have been defined. - L5: Cdd-(Cdd-Od)(Cdd-Od) // O=C=C*=C=O - L5: Cdd-(Cdd-Sd)(Cdd-Sd) // S=C=C*=C=S - L5: Cdd-(Cdd-Od)(Cdd-Cd) // O=C=C*=C=C the carbon at the edge is not defined, otherwise this COuld go on indefinetely! - L5: Cdd-(Cdd-Sd)(Cdd-Cd) // S=C=C*=C=C the carbon at the edge is not defined, otherwise this could go on indefinetely! - L5: Cdd-(Cdd-Cd)(Cdd-Cd) // C=C=C*=C=C the carbons at the edges are not defined! - L4: Cdd-CddCds // I don't think these groups have been defined. - L5: Cdd-(Cdd-Od)Cds // O=C=C*=C< - L5: Cdd-(Cdd-Sd)Cds // S=C=C*=C< - L5: Cdd-(Cdd-Cd)Cds // C=C=C*=C< - L4: Cdd-CdsCds // Ca , that is >C=C=C< - - L2: Cds - L3: Cds-OdHH - L3: Cds-OdOsH - L3: Cds-OdOsOs - L3: C=S-HH - L3: C=S-SsH - L3: C=S-SsSs - L3: Cds-OdCH - L4: Cds-OdCsH - L4: Cds-OdCdsH - L5: Cds-Od(Cds-Od)H // CO-COH - L5: Cds-Od(Cds-Cd)H - L6: Cds-Od(Cds-Cds)H // CO-CdH - L6: Cds-Od(Cds-Cdd)H - L7: Cds-Od(Cds-Cdd-Od)H // CO-CkH - L7: Cds-Od(Cds-Cdd-Cd)H // CO-(Cd-Ca)H - L4: Cds-OdCtH - L4: Cds-OdCbH - L3: C=S-CH - L4: C=S-CsH - L4: C=S-CdsH - L5: C=S-C=SH // CS-CSH - L5: C=S-(Cds-Cd)H - L6: C=S-(Cds-Cds)H // CS-CdH - L6: C=S-(Cds-Cdd)H - L7: C=S-(Cds-Cdd-Sd)H // CS-CkH - L7: C=S-(Cds-Cdd-Cd)H // CS-(Cd-Ca)H - L4: C=S-CtH - L4: C=S-CbH - - L3: Cds-OdCOs - L4: Cds-OdCsOs - L4: Cds-OdCdsOs - L5: Cds-Od(Cds-Od)Os // CO-COO - L5: Cds-Od(Cds-Cd)Os - L6: Cds-Od(Cds-Cds)Os // CO-CdO - L6: Cds-Od(Cds-Cdd)Os - L7: Cds-Od(Cds-Cdd-Od)Os // CO-CkO - L7: Cds-Od(Cds-Cdd-Cd)Os // CO-(Cd-Ca)O - - L4: Cds-OdCtOs - L4: Cds-OdCbOs - L3: C=S-CSs - L4: C=S-CsSs - L4: C=S-CdsSs - L5: C=S-C=SSs // CS-CSS - L5: C=S-(Cds-Cd)Ss - L6: C=S-(Cds-Cds)Ss // CS-CdS - L6: C=S-(Cds-Cdd)Ss - L7: C=S-(Cds-Cdd-Sd)Ss // CS-CkS - L7: C=S-(Cds-Cdd-Cd)Ss // CS-(Cd-Ca)S - - L4: C=S-CtSs - L4: C=S-CbSs - - L3: Cds-OdCC - L4: Cds-OdCsCs - L4: Cds-OdCdsCs - L5: Cds-Od(Cds-Od)Cs // CO-COCs - L5: Cds-Od(Cds-Cd)Cs - L6: Cds-Od(Cds-Cds)Cs // CO-CdCs - L6: Cds-Od(Cds-Cdd)Cs - L7: Cds-Od(Cds-Cdd-Od)Cs // CO-CkCs - L7: Cds-Od(Cds-Cdd-Cd)Cs // CO-(Cd-Ca)Cs - L4: Cds-OdCdsCds - L5: Cds-Od(Cds-Od)(Cds-Od) // CO-COCO - L5: Cds-Od(Cds-Cd)(Cds-Od) - L6: Cds-Od(Cds-Cds)(Cds-Od) // CO-CdCO - L6: Cds-Od(Cds-Cdd)(Cds-Od) - L7: Cds-Od(Cds-Cdd-Od)(Cds-Od) // CO-CkCO - L7: Cds-Od(Cds-Cdd-Cd)(Cds-Od) // CO-(Cd-Ca)CO - L5: Cds-Od(Cds-Cd)(Cds-Cd) - L6: Cds-Od(Cds-Cds)(Cds-Cds) // CO-CdCd - L6: Cds-Od(Cds-Cdd)(Cds-Cds) - L7: Cds-Od(Cds-Cdd-Od)(Cds-Cds) // CO-CkCd - L7: Cds-Od(Cds-Cdd-Cd)(Cds-Cds) // CO-(Cd-Ca)Cd - L6: Cds-Od(Cds-Cdd)(Cds-Cdd) - L7: Cds-Od(Cds-Cdd-Od)(Cds-Cdd-Od) // CO-CkCk - L7: Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Od) // CO-(Cd-Ca)Ck - L7: Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Cd) // CO-(Cd-Ca)(Cd-Ca) - L4: Cds-OdCtCs - L4: Cds-OdCtCds - L5: Cds-OdCt(Cds-Od) // CO-COCt - L5: Cds-OdCt(Cds-Cd) - L6: Cds-OdCt(Cds-Cds) // CO-CdCt - L6: Cds-OdCt(Cds-Cdd) - L7: Cds-OdCt(Cds-Cdd-Od) // CO-CkCt - L7: Cds-OdCt(Cds-Cdd-Cd) // CO-(Cd-Ca)Ct - L4: Cds-OdCtCt - L4: Cds-OdCbCs - L4: Cds-OdCbCds - L5: Cds-OdCb(Cds-Od) // CO-COCbCO - L5: Cds-OdCb(Cds-Cd) - L6: Cds-OdCb(Cds-Cds) // CO-CdCb - L6: Cds-OdCb(Cds-Cdd) - L7: Cds-OdCb(Cds-Cdd-Od) // CO-CkCb - L7: Cds-OdCb(Cds-Cdd-Cd) // CO-(Cd-Ca)Cb - L4: Cds-OdCbCt - L4: Cds-OdCbCb - L3: C=S-CC - L4: C=S-CsCs - L4: C=S-CdsCs - L5: C=S-C=SCs // CS-CSCs - L5: C=S-(Cds-Cd)Cs - L6: C=S-(Cds-Cds)Cs // CS-CdCs - L6: C=S-(Cds-Cdd)Cs - L7: C=S-(Cds-Cdd-Sd)Cs // CS-CkCs - L7: C=S-(Cds-Cdd-Cd)Cs // CS-(Cd-Ca)Cs - L4: C=S-CdsCds - L5: C=S-C=SC=S // CS-CSCS - L5: C=S-(Cds-Cd)C=S - L6: C=S-(Cds-Cds)C=S // CS-CdCS - L6: C=S-(Cds-Cdd)C=S - L7: C=S-(Cds-Cdd-Sd)C=S // CS-CkCS - L7: C=S-(Cds-Cdd-Cd)C=S // CS-(Cd-Ca)CS - L5: C=S-(Cds-Cd)(Cds-Cd) - L6: C=S-(Cds-Cds)(Cds-Cds) // CS-CdCd - L6: C=S-(Cds-Cdd)(Cds-Cds) - L7: C=S-(Cds-Cdd-Sd)(Cds-Cds) // CS-CkCd - L7: C=S-(Cds-Cdd-Cd)(Cds-Cds) // CS-(Cd-Ca)Cd - L6: C=S-(Cds-Cdd)(Cds-Cdd) - L7: C=S-(Cds-Cdd-Sd)(Cds-Cdd-Sd) // CS-CkCk - L7: C=S-(Cds-Cdd-Cd)(Cds-Cdd-Sd) // CS-(Cd-Ca)Ck - L7: C=S-(Cds-Cdd-Cd)(Cds-Cdd-Cd) // CS-(Cd-Ca)(Cd-Ca) - L4: C=S-CtCs - L4: C=S-CtCds - L5: C=S-CtC=S // CS-CSCt - L5: C=S-Ct(Cds-Cd) - L6: C=S-Ct(Cds-Cds) // CS-CdCt - L6: C=S-Ct(Cds-Cdd) - L7: C=S-Ct(Cds-Cdd-Sd) // CS-CkCt - L7: C=S-Ct(Cds-Cdd-Cd) // CS-(Cd-Ca)Ct - L4: C=S-CtCt - L4: C=S-CbCs - L4: C=S-CbCds - L5: C=S-CbC=S // CS-CSCbCS - L5: C=S-Cb(Cds-Cd) - L6: C=S-Cb(Cds-Cds) // CS-CdCb - L6: C=S-Cb(Cds-Cdd) - L7: C=S-Cb(Cds-Cdd-Sd) // CS-CkCb - L7: C=S-Cb(Cds-Cdd-Cd) // CS-(Cd-Ca)Cb - L4: C=S-CbCt - L4: C=S-CbCb - - - L3: Cds-CdHH - L4: Cds-CdsHH - L4: Cds-CddHH - L5: Cds-(Cdd-Od)HH // Ck-HH - L5: Cds-(Cdd-Sd)HH // Ck-HH - L5: Cds-(Cdd-Cd)HH // Cd-CaHH - L3: Cds-CdOsH - L4: Cds-CdsOsH - L4: Cds-CddOsH - L5: Cds-(Cdd-Od)OsH // Ck-OH - L5: Cds-(Cdd-Cd)OsH // Cd-CaOH - L3: Cds-CdSsH - L4: Cds-CdsSsH - L4: Cds-CddSsH - L5: Cds-(Cdd-Sd)SsH // Ck-SH - L5: Cds-(Cdd-Cd)SsH // Cd-CaSH - L3: Cds-CdOsOs - L4: Cds-CdsOsOs - L4: Cds-CddOsOs - L5: Cds-(Cdd-Od)OsOs // Ck-OO - L5: Cds-(Cdd-Cd)OsOs // Cd-CaOO - L3: Cds-CdSsSs - L4: Cds-CdsSsSs - L4: Cds-CddSsSs - L5: Cds-(Cdd-Sd)SsSs // Ck-SS - L5: Cds-(Cdd-Cd)SsSs // Cd-CaSS - - L3: Cds-CdCH - L4: Cds-CdsCsH - L4: Cds-CdsCdsH - L5: Cds-Cds(Cds-Od)H // Cd-COH - L5: Cds-CdsC=SH // Cd-CSH - L5: Cds-Cds(Cds-Cd)H - L6: Cds-Cds(Cds-Cds)H // Cd-CdH - L6: Cds-Cds(Cds-Cdd)H - L7: Cds-Cds(Cds-Cdd-Od)H // Cd-CkH - L7: Cds-Cds(Cds-Cdd-Sd)H // Cd-CkH - L7: Cds-Cds(Cds-Cdd-Cd)H // Cd-(Cd-Ca)H - L4: Cds-CdsCtH - L4: Cds-CdsCbH - L4: Cds-CddCsH - L5: Cds-(Cdd-Od)CsH // Ck-CH - L5: Cds-(Cdd-Sd)CsH // Ck-CH - L5: Cds-(Cdd-Cd)CsH // Cd-CaCH - L4: Cds-CddCdsH - L5: Cds-(Cdd-Od)(Cds-Od)H // Ck-COH - L5: Cds-(Cdd-Sd)C=SH // Ck-CSH - L5: Cds-(Cdd-Od)(Cds-Cd)H - L6: Cds-(Cdd-Od)(Cds-Cds)H // Ck-CdH - L6: Cds-(Cdd-Od)(Cds-Cdd)H - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)H // Ck-CkH - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)H // Ck-(Cd-Ca)H - L5: Cds-(Cdd-Sd)(Cds-Cd)H - L6: Cds-(Cdd-Sd)(Cds-Cds)H // Ck-CdH - L6: Cds-(Cdd-Sd)(Cds-Cdd)H - L7: Cds-(Cdd-Sd)(Cds-Cdd-Sd)H // Ck-CkH - L7: Cds-(Cdd-Sd)(Cds-Cdd-Cd)H // Ck-(Cd-Ca)H - L5: Cds-(Cdd-Cd)(Cds-Od)H - L5: Cds-(Cdd-Cd)C=SH - L5: Cds-(Cdd-Cd)(Cds-Cd)H - L6: Cds-(Cdd-Cd)(Cds-Cds)H // Cd-CaCdH - L6: Cds-(Cdd-Cd)(Cds-Cdd)H - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)H // Cd-CaCkH - L7: Cds-(Cdd-Cd)(Cds-Cdd-Sd)H // Cd-CaCkH - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)H // Cd-Ca(Cd-Ca)H - L4: Cds-CddCtH - L5: Cds-(Cdd-Od)CtH // Ck-CtH - L5: Cds-(Cdd-Sd)CtH // Ck-CtH - L5: Cds-(Cdd-Cd)CtH // Cd-CaCtH - L4: Cds-CddCbH - L5: Cds-(Cdd-Od)CbH // Ck-CbH - L5: Cds-(Cdd-Sd)CbH // Ck-CbH - L5: Cds-(Cdd-Cd)CbH // Cd-CaCbH - L3: Cds-CdCO - L4: Cds-CdsCsOs - L4: Cds-CdsCdsOs - L5: Cds-Cds(Cds-Od)Os // Cd-COO - L5: Cds-Cds(Cds-Cd)Os - L6: Cds-Cds(Cds-Cds)Os // Cd-CdO - L6: Cds-Cds(Cds-Cdd)Os - L7: Cds-Cds(Cds-Cdd-Od)Os // Cd-CkO - L7: Cds-Cds(Cds-Cdd-Cd)Os // Cd-(Cd-Ca)O - L4: Cds-CdsCtOs - L4: Cds-CdsCbOs - L4: Cds-CddCsOs - L5: Cds-(Cdd-Od)CsOs // Ck-CO - L5: Cds-(Cdd-Cd)CsOs // Cd-CaCO - L4: Cds-CddCdsOs - L5: Cds-(Cdd-Od)(Cds-Od)Os // Ck-COO - L5: Cds-(Cdd-Od)(Cds-Cd)Os - L6: Cds-(Cdd-Od)(Cds-Cds)Os // Ck-CdO - L6: Cds-(Cdd-Od)(Cds-Cdd)Os - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)Os // Ck-CkO - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)Os // Ck-(Cd-Ca)O - L5: Cds-(Cdd-Cd)(Cds-Cd)Os - L6: Cds-(Cdd-Cd)(Cds-Cds)Os // Cd-CaCdO - L6: Cds-(Cdd-Cd)(Cds-Cdd)Os - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)Os // Cd-CaCkO - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)Os // Cd-Ca(Cd-Ca)O - L4: Cds-CddCtOs - L5: Cds-(Cdd-Od)CtOs // Ck-CtO - L5: Cds-(Cdd-Cd)CtOs // Cd-CaCtO - L4: Cds-CddCbOs - L5: Cds-(Cdd-Od)CbOs // Ck-CbO - L5: Cds-(Cdd-Cd)CbOs // Cd-CaCbO - L3: Cds-CdCS - L4: Cds-CdsCsSs - L4: Cds-CdsCdsSs - L5: Cds-CdsC=SSs // Cd-CSS - L5: Cds-Cds(Cds-Cd)Ss - L6: Cds-Cds(Cds-Cds)Ss // Cd-CdS - L6: Cds-Cds(Cds-Cdd)Ss - L7: Cds-Cds(Cds-Cdd-Sd)Ss // Cd-CkS - L7: Cds-Cds(Cds-Cdd-Cd)Ss // Cd-(Cd-Ca)S - L4: Cds-CdsCtSs - L4: Cds-CdsCbSs - L4: Cds-CddCsSs - L5: Cds-(Cdd-Sd)CsSs // Ck-CS - L5: Cds-(Cdd-Cd)CsSs // Cd-CaCS - L4: Cds-CddCdsSs - L5: Cds-(Cdd-Sd)C=SSs // Ck-CSS - L5: Cds-(Cdd-Sd)(Cds-Cd)Ss - L6: Cds-(Cdd-Sd)(Cds-Cds)Ss // Ck-CdS - L6: Cds-(Cdd-Sd)(Cds-Cdd)Ss - L7: Cds-(Cdd-Sd)(Cds-Cdd-Sd)Ss // Ck-CkS - L7: Cds-(Cdd-Sd)(Cds-Cdd-Cd)Ss // Ck-(Cd-Ca)S - L5: Cds-(Cdd-Cd)(Cds-Cd)Ss - L6: Cds-(Cdd-Cd)(Cds-Cds)Ss // Cd-CaCdS - L6: Cds-(Cdd-Cd)(Cds-Cdd)Ss - L7: Cds-(Cdd-Cd)(Cds-Cdd-Sd)Ss // Cd-CaCkS - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)Ss // Cd-Ca(Cd-Ca)S - L4: Cds-CddCtSs - L5: Cds-(Cdd-Sd)CtSs // Ck-CtS - L5: Cds-(Cdd-Cd)CtSs // Cd-CaCtS - L4: Cds-CddCbSs - L5: Cds-(Cdd-Sd)CbSs // Ck-CbS - L5: Cds-(Cdd-Cd)CbSs // Cd-CaCbS - L3: Cds-CdCC - L4: Cds-CdsCsCs - L4: Cds-CdsCdsCs - L5: Cds-Cds(Cds-Od)Cs // Cd-COCs - L5: Cds-CdsC=SCs // Cd-CSCs - L5: Cds-Cds(Cds-Cd)Cs - L6: Cds-Cds(Cds-Cds)Cs // Cd-CdCs - L6: Cds-Cds(Cds-Cdd)Cs - L7: Cds-Cds(Cds-Cdd-Od)Cs // Cd-CkC - L7: Cds-Cds(Cds-Cdd-Sd)Cs // Cd-CkC - L7: Cds-Cds(Cds-Cdd-Cd)Cs // Cd-(Cd-Ca)C - L4: Cds-CdsCdsCds - L5: Cds-Cds(Cds-Od)(Cds-Od) // Cd-COCO - L5: Cds-CdsC=SC=S // Cd-CSCS - L5: Cds-Cds(Cds-Od)(Cds-Cd) - L6: Cds-Cds(Cds-Od)(Cds-Cds) // Cd-COCd - L6: Cds-Cds(Cds-Od)(Cds-Cdd) - L7: Cds-Cds(Cds-Od)(Cds-Cdd-Od) // Cd-COCk - L7: Cds-Cds(Cds-Od)(Cds-Cdd-Cd) // Cd-CO(Cd-Ca) - L5: Cds-CdsC=S(Cds-Cd) - L6: Cds-CdsC=S(Cds-Cds) // Cd-CSCd - L6: Cds-CdsC=S(Cds-Cdd) - L7: Cds-CdsC=S(Cds-Cdd-Sd) // Cd-CSCk - L7: Cds-CdsC=S(Cds-Cdd-Cd) // Cd-CS(Cd-Ca) - L5: Cds-Cds(Cds-Cd)(Cds-Cd) - L6: Cds-Cds(Cds-Cds)(Cds-Cds) // Cd-CdCd - L6: Cds-Cds(Cds-Cds)(Cds-Cdd) - L7: Cds-Cds(Cds-Cds)(Cds-Cdd-Od) // Cd-CkCd - L7: Cds-Cds(Cds-Cds)(Cds-Cdd-Sd) // Cd-CkCd - L7: Cds-Cds(Cds-Cds)(Cds-Cdd-Cd) // Cd-(Cd-Ca)Cd - L6: Cds-Cds(Cds-Cdd)(Cds-Cdd) - L7: Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Od) // Cd-CkCk - L7: Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Cd) // Cd-Ck(Cd-Ca) - L7: Cds-Cds(Cds-Cdd-Sd)(Cds-Cdd-Sd) // Cd-CkCk - L7: Cds-Cds(Cds-Cdd-Sd)(Cds-Cdd-Cd) // Cd-Ck(Cd-Ca) - L7: Cds-Cds(Cds-Cdd-Cd)(Cds-Cdd-Cd) // Cd-(Cd-Ca)(Cd-Ca) - L4: Cds-CdsCtCs - L4: Cds-CdsCtCds - L5: Cds-CdsCt(Cds-Od) // Cd-COCt - L5: Cds-CdsCtC=S // Cd-CSCt - L5: Cds-CdsCt(Cds-Cd) - L6: Cds-Cds(Cds-Cds)Ct // Cd-CdCt - L6: Cds-Cds(Cds-Cdd)Ct - L7: Cds-Cds(Cds-Cdd-Od)Ct // Cd-CkCt - L7: Cds-Cds(Cds-Cdd-Sd)Ct // Cd-CkCt - L7: Cds-Cds(Cds-Cdd-Cd)Ct // Cd-(Cd-Ca)Ct - L4: Cds-CdsCtCt - L4: Cds-CdsCbCs - L4: Cds-CdsCbCds - L5: Cds-CdsCb(Cds-Od) // Cd-COCb - L5: Cds-CdsCbC=S // Cd-CSCb - L5: Cds-Cds(Cds-Cd)Cb - L6: Cds-Cds(Cds-Cds)Cb // Cd-CdCb - L6: Cds-Cds(Cds-Cdd)Cb - L7: Cds-Cds(Cds-Cdd-Od)Cb // Cd-CkCb - L7: Cds-Cds(Cds-Cdd-Sd)Cb // Cd-CkCb - L7: Cds-Cds(Cds-Cdd-Cd)Cb // Cd-(Cd-Ca)Cb - L4: Cds-CdsCbCt - L4: Cds-CdsCbCb - L4: Cds-CddCsCs - L5: Cds-(Cdd-Od)CsCs // Ck-CC - L5: Cds-(Cdd-Sd)CsCs // Ck-CC - L5: Cds-(Cdd-Cd)CsCs // Cd-CaCC - L4: Cds-CddCdsCs - L5: Cds-(Cdd-Od)(Cds-Od)Cs // Ck-COC - L5: Cds-(Cdd-Sd)C=SCs // Ck-CSC - L5: Cds-(Cdd-Od)(Cds-Cd)Cs - L6: Cds-(Cdd-Od)(Cds-Cds)Cs // Ck-CdC - L6: Cds-(Cdd-Od)(Cds-Cdd)Cs - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)Cs // Ck-CkC - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)Cs // Ck-(Cd-Ca)C - L5: Cds-(Cdd-Sd)(Cds-Cd)Cs - L6: Cds-(Cdd-Sd)(Cds-Cds)Cs // Ck-CdC - L6: Cds-(Cdd-Sd)(Cds-Cdd)Cs - L7: Cds-(Cdd-Sd)(Cds-Cdd-Sd)Cs // Ck-CkC - L7: Cds-(Cdd-Sd)(Cds-Cdd-Cd)Cs // Ck-(Cd-Ca)C - L5: Cds-(Cdd-Cd)(Cds-Cd)Cs - L6: Cds-(Cdd-Cd)(Cds-Cds)Cs // Cd-CaCdC - L6: Cds-(Cdd-Cd)(Cds-Cdd)Cs - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)Cs // Cd-CaCkC - L7: Cds-(Cdd-Cd)(Cds-Cdd-Sd)Cs // Cd-CaCkC - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cs // Cd-Ca(Cd-Ca)C - L4: Cds-CddCdsCds - L5: Cds-(Cdd-Od)(Cds-Od)(Cds-Od) // Ck-COCO - L5: Cds-(Cdd-Od)(Cds-Cd)(Cds-Od) - L6: Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) // Ck-CdCO - L6: Cds-(Cdd-Od)(Cds-Cdd)(Cds-Od) - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Od) // Ck-CkCO - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Od) // Ck-(Cd-Ca)CO - L5: Cds-(Cdd-Od)(Cds-Cd)(Cds-Cd) - L6: Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) // Ck-CdCd - L6: Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cds) - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) // Ck-CkCd - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cds) // Ck-(Cd-Ca)Cd - L6: Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cdd) - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) // Ck-CkCk - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) // Ck-Ck(Cd-Ca) - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // Ck-(Cd-Ca)(Cd-Ca) - - L5: Cds-(Cdd-Cd)(Cds-Od)(Cds-Od) // Cd-CaCOCO - L5: Cds-(Cdd-Cd)(Cds-Od)(Cds-Cd) - L6: Cds-(Cdd-Cd)(Cds-Od)(Cds-Cds) // Cd-CaCOCd - L6: Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd) - L7: Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Od) // Cd-CaCOCk - L7: Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Cd) // Cd-CaCO(Cd-Ca) - L5: Cds-(Cdd-Sd)C=SC=S // Ck-CSCS - L5: Cds-(Cdd-Sd)(Cds-Cd)C=S - L6: Cds-(Cdd-Sd)(Cds-Cds)C=S // Ck-CdCS - L6: Cds-(Cdd-Sd)(Cds-Cdd)C=S - L7: Cds-(Cdd-Sd)(Cds-Cdd-Sd)C=S // Ck-CkCS - L7: Cds-(Cdd-Sd)(Cds-Cdd-Cd)C=S // Ck-(Cd-Ca)CS - L5: Cds-(Cdd-Sd)(Cds-Cd)(Cds-Cd) - L6: Cds-(Cdd-Sd)(Cds-Cds)(Cds-Cds) // Ck-CdCd - L6: Cds-(Cdd-Sd)(Cds-Cdd)(Cds-Cds) - L7: Cds-(Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cds) // Ck-CkCd - L7: Cds-(Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cds) // Ck-(Cd-Ca)Cd - L6: Cds-(Cdd-Sd)(Cds-Cdd)(Cds-Cdd) - L7: Cds-(Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd) // Ck-CkCk - L7: Cds-(Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd) // Ck-Ck(Cd-Ca) - L7: Cds-(Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // Ck-(Cd-Ca)(Cd-Ca) - - L5: Cds-(Cdd-Cd)C=SC=S // Cd-CaCSCS - L5: Cds-(Cdd-Cd)C=S(Cds-Cd) - L6: Cds-(Cdd-Cd)C=S(Cds-Cds) // Cd-CaCSCd - L6: Cds-(Cdd-Cd)C=S(Cds-Cdd) - L7: Cds-(Cdd-Cd)C=S(Cds-Cdd-Sd) // Cd-CaCSCk - L7: Cds-(Cdd-Cd)C=S(Cds-Cdd-Cd) // Cd-CaCS(Cd-Ca) - L5: Cds-(Cdd-Cd)(Cds-Cd)(Cds-Cd) - L6: Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) // Cd-CaCdCd - L6: Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cds) - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cds) // Cd-CaCkCd - L7: Cds-(Cdd-Cd)(Cds-Cdd-Sd)(Cds-Cds) // Cd-CaCkCd - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cds) // Cd-Ca(Cd-Ca)Cd - L6: Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cdd) - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Od) // Cd-CaCkCk - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Cd) // Cd-CaCk(Cd-Ca) - L7: Cds-(Cdd-Cd)(Cds-Cdd-Sd)(Cds-Cdd-Sd) // Cd-CaCkCk - L7: Cds-(Cdd-Cd)(Cds-Cdd-Sd)(Cds-Cdd-Cd) // Cd-CaCk(Cd-Ca) - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // Cd-Ca(Cd-Ca)(Cd-Ca) - - L4: Cds-CddCtCs - L5: Cds-(Cdd-Od)CtCs // Ck-CtC - L5: Cds-(Cdd-Sd)CtCs // Ck-CtC - L5: Cds-(Cdd-Cd)CtCs // Cd-CaCtC - L4: Cds-CddCtCds - L5: Cds-(Cdd-Od)(Cds-Od)Ct // Ck-COCt - L5: Cds-(Cdd-Od)(Cds-Cd)Ct - L6: Cds-(Cdd-Od)(Cds-Cds)Ct // Ck-CdCt - L6: Cds-(Cdd-Od)(Cds-Cdd)Ct - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)Ct // Ck-CkCt - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)Ct // Ck-(Cd-Ca)Ct - L5: Cds-(Cdd-Sd)C=SCt // Ck-CSCt - L5: Cds-(Cdd-Sd)(Cds-Cd)Ct - L6: Cds-(Cdd-Sd)(Cds-Cds)Ct // Ck-CdCt - L6: Cds-(Cdd-Sd)(Cds-Cdd)Ct - L7: Cds-(Cdd-Sd)(Cds-Cdd-Sd)Ct // Ck-CkCt - L7: Cds-(Cdd-Sd)(Cds-Cdd-Cd)Ct // Ck-(Cd-Ca)Ct - L5: Cds-(Cdd-Cd)(Cds-Cd)Ct - L6: Cds-(Cdd-Cd)(Cds-Cds)Ct // Cd-CaCdCt - L6: Cds-(Cdd-Cd)(Cds-Cdd)Ct - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)Ct // Cd-CaCkCt - L7: Cds-(Cdd-Cd)(Cds-Cdd-Sd)Ct // Cd-CaCkCt - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)Ct // Cd-Ca(Cd-Ca)Ct - - - - L4: Cds-CddCtCt - L5: Cds-(Cdd-Od)CtCt // Ck-CtCt - L5: Cds-(Cdd-Sd)CtCt // Ck-CtCt - L5: Cds-(Cdd-Cd)CtCt // Cd-CaCtCt - L4: Cds-CddCbCs - L5: Cds-(Cdd-Od)CbCs // Ck-CbC - L5: Cds-(Cdd-Sd)CbCs // Ck-CbC - L5: Cds-(Cdd-Cd)CbCs // Cd-CaCbC - L4: Cds-CddCbCds - L5: Cds-(Cdd-Od)(Cds-Od)Cb // Ck-COCb - L5: Cds-(Cdd-Od)(Cds-Cd)Cb - L6: Cds-(Cdd-Od)(Cds-Cds)Cb // Ck-CdCb - L6: Cds-(Cdd-Od)(Cds-Cdd)Cb - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)Cb // Ck-CkCb - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)Cb // Ck-(Cd-Ca)Cb - L5: Cds-(Cdd-Sd)C=SCb // Ck-CSCb - L5: Cds-(Cdd-Sd)(Cds-Cd)Cb - L6: Cds-(Cdd-Sd)(Cds-Cds)Cb // Ck-CdCb - L6: Cds-(Cdd-Sd)(Cds-Cdd)Cb - L7: Cds-(Cdd-Sd)(Cds-Cdd-Sd)Cb // Ck-CkCb - L7: Cds-(Cdd-Sd)(Cds-Cdd-Cd)Cb // Ck-(Cd-Ca)Cb - L5: Cds-(Cdd-Cd)(Cds-Cd)Cb - L6: Cds-(Cdd-Cd)(Cds-Cds)Cb // Cd-CaCdCb - L6: Cds-(Cdd-Cd)(Cds-Cdd)Cb - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)Cb // Cd-CaCkCb - L7: Cds-(Cdd-Cd)(Cds-Cdd-Sd)Cb // Cd-CaCkCb - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cb // Cd-Ca(Cd-Ca)Cb - L4: Cds-CddCbCt - L5: Cds-(Cdd-Od)CbCt // Ck-CbCt - L5: Cds-(Cdd-Sd)CbCt // Ck-CbCt - L5: Cds-(Cdd-Cd)CbCt // Cd-CaCbCt - L4: Cds-CddCbCb - L5: Cds-(Cdd-Od)CbCb // Ck-CbCb - L5: Cds-(Cdd-Sd)CbCb // Ck-CbCb - L5: Cds-(Cdd-Cd)CbCb // Cd-CaCbCb - - L2: Cs - L3: Cs-HHHH - L3: Cs-CHHH - L4: Cs-CsHHH - L4: Cs-CdsHHH - L5: Cs-(Cds-Od)HHH // Cs-COHHH - L5: Cs-C=SHHH // Cs-CSHHH - L5: Cs-(Cds-Cd)HHH - L6: Cs-(Cds-Cds)HHH // Cs-CdHHH - L6: Cs-(Cds-Cdd)HHH - L7: Cs-(Cds-Cdd-Od)HHH // Cs-CkHHH - L7: Cs-(Cds-Cdd-Sd)HHH - L7: Cs-(Cds-Cdd-Cd)HHH // Cs-(Cd-Ca)HHH - L4: Cs-CtHHH - L4: Cs-CbHHH - - L3: Cs-OsHHH - L3: Cs-OsOsHH - L3: Cs-OsOsOsH - L3: Cs-SsHHH - L3: Cs-SsSsHH - L3: Cs-SsSsSsH - L3: Cs-CCHH - L4: Cs-CsCsHH - L4: Cs-CdsCsHH - L5: Cs-(Cds-Od)CsHH // C-COCHH - L5: Cs-C=SCsHH // C-CSCHH - L5: Cs-(Cds-Cd)CsHH - L6: Cs-(Cds-Cds)CsHH // C-CdCHH - L6: Cs-(Cds-Cdd)CsHH - L7: Cs-(Cds-Cdd-Od)CsHH // C-CkCHH - L7: Cs-(Cds-Cdd-Sd)CsHH // C-CkCHH - L7: Cs-(Cds-Cdd-Cd)CsHH // C-(Cd-Ca)CHH - L4: Cs-CdsCdsHH - L5: Cs-(Cds-Od)(Cds-Od)HH // C-COCOHH - L5: Cs-(Cds-Od)(Cds-Cd)HH - L6: Cs-(Cds-Od)(Cds-Cds)HH // C-COCdHH - L6: Cs-(Cds-Od)(Cds-Cdd)HH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)HH // C-COCkHH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)HH // C-CO(Cd-Ca)HH - L5: Cs-C=SC=SHH // C-CSCSHH - L5: Cs-C=S(Cds-Cd)HH - L6: Cs-C=S(Cds-Cds)HH // C-CSCdHH - L6: Cs-C=S(Cds-Cdd)HH - L7: Cs-C=S(Cds-Cdd-Sd)HH // C-CSCkHH - L7: Cs-C=S(Cds-Cdd-Cd)HH // C-CS(Cd-Ca)HH - L5: Cs-(Cds-Cd)(Cds-Cd)HH - L6: Cs-(Cds-Cds)(Cds-Cds)HH // C-CdCdHH - L6: Cs-(Cds-Cdd)(Cds-Cds)HH - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)HH // Cs-CkCdHH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)HH // Cs-CkCdHH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)HH // Cs-(Cd-Ca)CdHH - L6: Cs-(Cds-Cdd)(Cds-Cdd)HH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)HH // Cs-CkCkHH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)HH // Cs-Ck(Cd-Ca)HH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)HH // Cs-CkCkHH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)HH // Cs-Ck(Cd-Ca)HH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)HH // Cs-(Cd-Ca)(Cd-Ca)HH - L4: Cs-CtCsHH - L4: Cs-CtCdsHH - L5: Cs-(Cds-Od)CtHH // C-COCtHH - L5: Cs-C=SCtHH // C-CSCtHH - L5: Cs-(Cds-Cd)CtHH - L6: Cs-(Cds-Cds)CtHH // C-CdCtHH - L6: Cs-(Cds-Cdd)CtHH - L7: Cs-(Cds-Cdd-Od)CtHH // C-CkCtHH - L7: Cs-(Cds-Cdd-Sd)CtHH // C-CkCtHH - L7: Cs-(Cds-Cdd-Cd)CtHH // C-(Cd-Ca)CtHH - L4: Cs-CtCtHH - L4: Cs-CbCsHH - L4: Cs-CbCdsHH - L5: Cs-(Cds-Od)CbHH // C-COCbHH - L5: Cs-C=SCbHH // C-CSCbHH - L5: Cs-(Cds-Cd)CbHH - L6: Cs-(Cds-Cds)CbHH // C-CdCbHH - L6: Cs-(Cds-Cdd)CbHH - L7: Cs-(Cds-Cdd-Od)CbHH // C-CkCbHH - L7: Cs-(Cds-Cdd-Sd)CbHH // C-CkCbHH - L7: Cs-(Cds-Cdd-Cd)CbHH // C-(Cd-Ca)CbHH - L4: Cs-CbCtHH - L4: Cs-CbCbHH - - L3: Cs-CCCH - L4: Cs-CsCsCsH - L4: Cs-CdsCsCsH - L5: Cs-(Cds-Od)CsCsH // C-COCCH - L5: Cs-C=SCsCsH // C-CSCCH - L5: Cs-(Cds-Cd)CsCsH - L6: Cs-(Cds-Cds)CsCsH // C-CdCCH - L6: Cs-(Cds-Cdd)CsCsH - L7: Cs-(Cds-Cdd-Od)CsCsH // C-CkCCH - L7: Cs-(Cds-Cdd-Sd)CsCsH // C-CkCCH - L7: Cs-(Cds-Cdd-Cd)CsCsH // C-(Cd-Ca)CCH - L4: Cs-CtCsCsH - L4: Cs-CbCsCsH - L4: Cs-CdsCdsCsH - L5: Cs-(Cds-Od)(Cds-Od)CsH // C-COCOCH - L5: Cs-C=SC=SCsH // C-CSCSCH - L5: Cs-(Cds-Od)(Cds-Cd)CsH - L6: Cs-(Cds-Od)(Cds-Cds)CsH // C-COCdCH - L6: Cs-(Cds-Od)(Cds-Cdd)CsH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CsH // C-COCkCH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CsH // C-CO(Cd-Ca)CH - L5: Cs-C=S(Cds-Cd)CsH - L6: Cs-C=S(Cds-Cds)CsH // C-CSCdCH - L6: Cs-C=S(Cds-Cdd)CsH - L7: Cs-C=S(Cds-Cdd-Sd)CsH // C-CSCkCH - L7: Cs-C=S(Cds-Cdd-Cd)CsH // C-CS(Cd-Ca)CH - L5: Cs-(Cds-Cd)(Cds-Cd)CsH - L6: Cs-(Cds-Cds)(Cds-Cds)CsH // C-CdCdCH - L6: Cs-(Cds-Cdd)(Cds-Cds)CsH - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CsH // Cs-CkCdCH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CsH // Cs-CkCdCH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CsH // Cs-(Cd-Ca)CdCH - L6: Cs-(Cds-Cdd)(Cds-Cdd)CsH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsH // Cs-CkCkCH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsH // Cs-Ck(Cd-Ca)CH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CsH // Cs-CkCkCH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CsH // Cs-Ck(Cd-Ca)CH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsH // Cs-(Cd-Ca)(Cd-Ca)CH - L4: Cs-CtCdsCsH - L5: Cs-(Cds-Od)CtCsH // C-COCtCH - L5: Cs-C=SCtCsH // C-CSCtCH - L5: Cs-(Cds-Cd)CtCsH - L6: Cs-(Cds-Cds)CtCsH // C-CdCtCH - L6: Cs-(Cds-Cdd)CtCsH - L7: Cs-(Cds-Cdd-Od)CtCsH // C-CkCtCH - L7: Cs-(Cds-Cdd-Sd)CtCsH // C-CkCtCH - L7: Cs-(Cds-Cdd-Cd)CtCsH // C-(Cd-Ca)CtCH - L4: Cs-CbCdsCsH - L5: Cs-(Cds-Od)CbCsH // C-COCbCH - L5: Cs-(Cds-Cd)CbCsH - L6: Cs-(Cds-Cds)CbCsH // C-CdCbCH - L6: Cs-(Cds-Cdd)CbCsH - L7: Cs-(Cds-Cdd-Od)CbCsH // C-CkCbCH - L7: Cs-(Cds-Cdd-Cd)CbCsH // C-(Cd-Ca)CbCH - L4: Cs-CtCtCsH - L4: Cs-CbCtCsH - L4: Cs-CbCbCsH - L4: Cs-CdsCdsCdsH - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)H // C-COCOCOH - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)H - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H // C-COCOCdH - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)H - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)H // C-COCOCkH - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)H // C-COCO(Cd-Ca)H - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)H - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H // C-COCdCdH - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)H - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H // Cs-COCkCdH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)H // Cs-CO(Cd-Ca)CdH - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)H - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H // Cs-COCkCkH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H // Cs-COCk(Cd-Ca)H - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H // Cs-CO(Cd-Ca)(Cd-Ca)H - L5: Cs-C=SC=SC=SH // C-CSCSCSH - L5: Cs-C=SC=S(Cds-Cd)H - L6: Cs-C=SC=S(Cds-Cds)H // C-CSCSCdH - L6: Cs-C=SC=S(Cds-Cdd)H - L7: Cs-C=SC=S(Cds-Cdd-Sd)H // C-CSCSCkH - L7: Cs-C=SC=S(Cds-Cdd-Cd)H // C-CSCS(Cd-Ca)H - L5: Cs-C=S(Cds-Cd)(Cds-Cd)H - L6: Cs-C=S(Cds-Cds)(Cds-Cds)H // C-CSCdCdH - L6: Cs-C=S(Cds-Cdd)(Cds-Cds)H - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cds)H // Cs-CSCkCdH - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cds)H // Cs-CS(Cd-Ca)CdH - L6: Cs-C=S(Cds-Cdd)(Cds-Cdd)H - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)H // Cs-CSCkCkH - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)H // Cs-CSCk(Cd-Ca)H - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)H // Cs-CS(Cd-Ca)(Cd-Ca)H - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)H - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H // C-CdCdCdH - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)H - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H // C-CdCdCkH - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)H // C-CdCdCkH - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)H // C-CdCd(Cd-Ca)H - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)H - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H // C-CdCkCkH - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)H // C-CdCk(Cd-Ca)H - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)H // C-CdCkCkH - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)H // C-CdCk(Cd-Ca)H - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H // C-Cd(Cd-Ca)(Cd-Ca)H - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)H - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H // C-CkCkCkH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H // C-CkCk(Cd-Ca)H - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H // C-Ck(Cd-Ca)(Cd-Ca)H - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)H // C-CkCkCkH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)H // C-CkCk(Cd-Ca)H - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H // C-Ck(Cd-Ca)(Cd-Ca)H - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H // C-(Cd-Ca)(Cd-Ca)(Cd-Ca)H - L4: Cs-CtCdsCdsH - L5: Cs-(Cds-Od)(Cds-Od)CtH // C-COCOCtH - L5: Cs-(Cds-Od)(Cds-Cd)CtH - L6: Cs-(Cds-Od)(Cds-Cds)CtH // C-COCdCtH - L6: Cs-(Cds-Od)(Cds-Cdd)CtH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CtH // C-COCkCtH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CtH // C-CO(Cd-Ca)CtH - L5: Cs-C=SC=SCtH // C-CSCSCtH - L5: Cs-C=S(Cds-Cd)CtH - L6: Cs-C=S(Cds-Cds)CtH // C-CSCdCtH - L6: Cs-C=S(Cds-Cdd)CtH - L7: Cs-C=S(Cds-Cdd-Sd)CtH // C-CSCkCtH - L7: Cs-C=S(Cds-Cdd-Cd)CtH // C-CS(Cd-Ca)CtH - L5: Cs-(Cds-Cd)(Cds-Cd)CtH - L6: Cs-(Cds-Cds)(Cds-Cds)CtH // C-CdCdCtH - L6: Cs-(Cds-Cdd)(Cds-Cds)CtH - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CtH // Cs-CkCdCtH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CtH // Cs-CkCdCtH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CtH // Cs-(Cd-Ca)CdCtH - L6: Cs-(Cds-Cdd)(Cds-Cdd)CtH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtH // Cs-CkCkCtH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtH // Cs-Ck(Cd-Ca)CtH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CtH // Cs-CkCkCtH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CtH // Cs-Ck(Cd-Ca)CtH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtH // Cs-(Cd-Ca)(Cd-Ca)CtH - L4: Cs-CbCdsCdsH - L5: Cs-(Cds-Od)(Cds-Od)CbH // C-COCOCbH - L5: Cs-(Cds-Od)(Cds-Cd)CbH - L6: Cs-(Cds-Od)(Cds-Cds)CbH // C-COCdCbH - L6: Cs-(Cds-Od)(Cds-Cdd)CbH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CbH // C-COCkCbH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CbH // C-CO(Cd-Ca)CbH - L5: Cs-C=SC=SCbH // C-CSCSCbH - L5: Cs-C=S(Cds-Cd)CbH - L6: Cs-C=S(Cds-Cds)CbH // C-CSCdCbH - L6: Cs-C=S(Cds-Cdd)CbH - L7: Cs-C=S(Cds-Cdd-Sd)CbH // C-CSCkCbH - L7: Cs-C=S(Cds-Cdd-Cd)CbH // C-CS(Cd-Ca)CbH - L5: Cs-(Cds-Cd)(Cds-Cd)CbH - L6: Cs-(Cds-Cds)(Cds-Cds)CbH // C-CdCdCbH - L6: Cs-(Cds-Cdd)(Cds-Cds)CbH - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CbH // Cs-CkCdCbH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CbH // Cs-CkCdCbH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbH // Cs-(Cd-Ca)CdCbH - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbH // Cs-CkCkCbH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbH // Cs-Ck(Cd-Ca)CbH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CbH // Cs-CkCkCbH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CbH // Cs-Ck(Cd-Ca)CbH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbH // Cs-(Cd-Ca)(Cd-Ca)CbH - L4: Cs-CtCtCdsH - L5: Cs-CtCt(Cds-Od)H // C-CtCtCOH - L5: Cs-CtCtC=SH // C-CtCtCSH - L5: Cs-CtCt(Cds-Cd)H - L6: Cs-CtCt(Cds-Cds)H // C-CtCtCdH - L6: Cs-CtCt(Cds-Cdd)H - L7: Cs-CtCt(Cds-Cdd-Od)H // C-CtCtCkH - L7: Cs-CtCt(Cds-Cdd-Sd)H // C-CtCtCkH - L7: Cs-CtCt(Cds-Cdd-Cd)H // C-CtCt(Cd-Ca)H - L4: Cs-CbCtCdsH - L5: Cs-CbCt(Cds-Od)H // C-CbCtCOH - L5: Cs-CbCtC=SH // C-CbCtCSH - L5: Cs-CbCt(Cds-Cd)H - L6: Cs-CbCt(Cds-Cds)H // C-CbCtCdH - L6: Cs-CbCt(Cds-Cdd)H - L7: Cs-CbCt(Cds-Cdd-Od)H // C-CbCtCkH - L7: Cs-CbCt(Cds-Cdd-Sd)H // C-CbCtCkH - L7: Cs-CbCt(Cds-Cdd-Cd)H // C-CbCt(Cd-Ca)H - L4: Cs-CbCbCdsH - L5: Cs-CbCb(Cds-Od)H // C-CbCbCOH - L5: Cs-CbCbC=SH // C-CbCbCSH - L5: Cs-CbCb(Cds-Cd)H - L6: Cs-CbCb(Cds-Cds)H // C-CbCbCdH - L6: Cs-CbCb(Cds-Cdd)H - L7: Cs-CbCb(Cds-Cdd-Od)H // C-CbCbCkH - L7: Cs-CbCb(Cds-Cdd-Sd)H // C-CbCbCkH - L7: Cs-CbCb(Cds-Cdd-Cd)H // C-CbCb(Cd-Ca)H - L4: Cs-CtCtCtH - L4: Cs-CbCtCtH - L4: Cs-CbCbCtH - L4: Cs-CbCbCbH - - L3: Cs-CCCC - L4: Cs-CsCsCsCs - L4: Cs-CdsCsCsCs - L5: Cs-(Cds-Od)CsCsCs // C-COCCC - L5: Cs-C=SCsCsCs // C-CSCCC - L5: Cs-(Cds-Cd)CsCsCs - L6: Cs-(Cds-Cds)CsCsCs // C-CdCCC - L6: Cs-(Cds-Cdd)CsCsCs - L7: Cs-(Cds-Cdd-Od)CsCsCs // C-CkCCC - L7: Cs-(Cds-Cdd-Sd)CsCsCs // C-CkCCC - L7: Cs-(Cds-Cdd-Cd)CsCsCs // C-(Cd-Ca)CCC - L4: Cs-CtCsCsCs - L4: Cs-CbCsCsCs - L4: Cs-CdsCdsCsCs - L5: Cs-(Cds-Od)(Cds-Od)CsCs // C-COCOCC - L5: Cs-(Cds-Od)(Cds-Cd)CsCs - L6: Cs-(Cds-Od)(Cds-Cds)CsCs // C-COCdCC - L6: Cs-(Cds-Od)(Cds-Cdd)CsCs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CsCs // C-COCkCC - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CsCs // C-CO(Cd-Ca)CC - L5: Cs-C=SC=SCsCs // C-CSCSCC - L5: Cs-C=S(Cds-Cd)CsCs - L6: Cs-C=S(Cds-Cds)CsCs // C-CSCdCC - L6: Cs-C=S(Cds-Cdd)CsCs - L7: Cs-C=S(Cds-Cdd-Sd)CsCs // C-CSCkCC - L7: Cs-C=S(Cds-Cdd-Cd)CsCs // C-CS(Cd-Ca)CC - L5: Cs-(Cds-Cd)(Cds-Cd)CsCs - L6: Cs-(Cds-Cds)(Cds-Cds)CsCs // C-CdCdCC - L6: Cs-(Cds-Cdd)(Cds-Cds)CsCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs // Cs-CkCdCC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CsCs // Cs-CkCdCC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CsCs // Cs-(Cd-Ca)CdCC - L6: Cs-(Cds-Cdd)(Cds-Cdd)CsCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs // Cs-CkCkCC - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsCs // Cs-Ck(Cd-Ca)CC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CsCs // Cs-CkCkCC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CsCs // Cs-Ck(Cd-Ca)CC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsCs // Cs-(Cd-Ca)(Cd-Ca)CC - L4: Cs-CtCdsCsCs - L5: Cs-(Cds-Od)CtCsCs // C-COCtCC - L5: Cs-C=SCtCsCs // C-CSCtCC - L5: Cs-(Cds-Cd)CtCsCs - L6: Cs-(Cds-Cds)CtCsCs // C-CdCtCC - L6: Cs-(Cds-Cdd)CtCsCs - L7: Cs-(Cds-Cdd-Od)CtCsCs // C-CkCtCC - L7: Cs-(Cds-Cdd-Sd)CtCsCs // C-CkCtCC - L7: Cs-(Cds-Cdd-Cd)CtCsCs // C-(Cd-Ca)CtCC - L4: Cs-CbCdsCsCs - L5: Cs-(Cds-Od)CbCsCs // C-COCbCC - L5: Cs-C=SCbCsCs // C-CSCbCC - L5: Cs-(Cds-Cd)CbCsCs - L6: Cs-(Cds-Cds)CbCsCs // C-CdCbCC - L6: Cs-(Cds-Cdd)CbCsCs - L7: Cs-(Cds-Cdd-Od)CbCsCs // C-CkCbCC - L7: Cs-(Cds-Cdd-Sd)CbCsCs // C-CkCbCC - L7: Cs-(Cds-Cdd-Cd)CbCsCs // C-(Cd-Ca)CbCC - L4: Cs-CtCtCsCs - L4: Cs-CbCtCsCs - L4: Cs-CbCbCsCs - L4: Cs-CdsCdsCdsCs - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cs // C-COCOCOC - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cs - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs // C-COCOCdC - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cs - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cs // C-COCOCkC - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cs // C-COCO(Cd-Ca)C - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cs - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs // C-COCdCdC - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs // Cs-COCkCdC - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cs // Cs-CO(Cd-Ca)CdC - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs // Cs-COCkCkC - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs // Cs-COCk(Cd-Ca)C - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs // Cs-CO(Cd-Ca)(Cd-Ca)C - L5: Cs-C=SC=SC=SCs // C-CSCSCSC - L5: Cs-C=SC=S(Cds-Cd)Cs - L6: Cs-C=SC=S(Cds-Cds)Cs // C-CSCSCdC - L6: Cs-C=SC=S(Cds-Cdd)Cs - L7: Cs-C=SC=S(Cds-Cdd-Sd)Cs // C-CSCSCkC - L7: Cs-C=SC=S(Cds-Cdd-Cd)Cs // C-CSCS(Cd-Ca)C - L5: Cs-C=S(Cds-Cd)(Cds-Cd)Cs - L6: Cs-C=S(Cds-Cds)(Cds-Cds)Cs // C-CSCdCdC - L6: Cs-C=S(Cds-Cdd)(Cds-Cds)Cs - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cds)Cs // Cs-CSCkCdC - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cds)Cs // Cs-CS(Cd-Ca)CdC - L6: Cs-C=S(Cds-Cdd)(Cds-Cdd)Cs - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cs // Cs-CSCkCkC - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cs // Cs-CSCk(Cd-Ca)C - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs // Cs-CS(Cd-Ca)(Cd-Ca)C - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cs - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs // C-CdCdCdC - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cs - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs // C-CdCdCkC - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)Cs // C-CdCdCkC - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cs // C-CdCd(Cd-Ca)C - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cs - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs // C-CdCkCkC - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs // C-CdCk(Cd-Ca)C - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cs // C-CdCkCkC - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cs // C-CdCk(Cd-Ca)C - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs // C-Cd(Cd-Ca)(Cd-Ca)C - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs // C-CkCkCkC - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs // C-CkCk(Cd-Ca)C - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs // C-Ck(Cd-Ca)(Cd-Ca)C - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cs // C-CkCkCkC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cs // C-CkCk(Cd-Ca)C - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs // C-Ck(Cd-Ca)(Cd-Ca)C - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs // C-(Cd-Ca)(Cd-Ca)(Cd-Ca)C - L4: Cs-CtCdsCdsCs - L5: Cs-(Cds-Od)(Cds-Od)CtCs // C-COCOCtC - L5: Cs-(Cds-Od)(Cds-Cd)CtCs - L6: Cs-(Cds-Od)(Cds-Cds)CtCs // C-COCdCtC - L6: Cs-(Cds-Od)(Cds-Cdd)CtCs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CtCs // C-COCkCtC - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CtCs // C-CO(Cd-Ca)CtC - L5: Cs-C=SC=SCtCs // C-CSCSCtC - L5: Cs-C=S(Cds-Cd)CtCs - L6: Cs-C=S(Cds-Cds)CtCs // C-CSCdCtC - L6: Cs-C=S(Cds-Cdd)CtCs - L7: Cs-C=S(Cds-Cdd-Sd)CtCs // C-CSCkCtC - L7: Cs-C=S(Cds-Cdd-Cd)CtCs // C-CS(Cd-Ca)CtC - L5: Cs-(Cds-Cd)(Cds-Cd)CtCs - L6: Cs-(Cds-Cds)(Cds-Cds)CtCs // C-CdCdCtC - L6: Cs-(Cds-Cdd)(Cds-Cds)CtCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CtCs // Cs-CkCdCtC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CtCs // Cs-CkCdCtC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCs // Cs-(Cd-Ca)CdCtC - L6: Cs-(Cds-Cdd)(Cds-Cdd)CtCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCs // Cs-CkCkCtC - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCs // Cs-Ck(Cd-Ca)CtC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CtCs // Cs-CkCkCtC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CtCs // Cs-Ck(Cd-Ca)CtC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCs // Cs-(Cd-Ca)(Cd-Ca)CtC - L4: Cs-CbCdsCdsCs - L5: Cs-(Cds-Od)(Cds-Od)CbCs // C-COCOCbC - L5: Cs-(Cds-Od)(Cds-Cd)CbCs - L6: Cs-(Cds-Od)(Cds-Cds)CbCs // C-COCdCbC - L6: Cs-(Cds-Od)(Cds-Cdd)CbCs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CbCs // C-COCkCbC - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CbCs // C-CO(Cd-Ca)CbC - L5: Cs-C=SC=SCbCs // C-CSCSCbC - L5: Cs-C=S(Cds-Cd)CbCs - L6: Cs-C=S(Cds-Cds)CbCs // C-CSCdCbC - L6: Cs-C=S(Cds-Cdd)CbCs - L7: Cs-C=S(Cds-Cdd-Sd)CbCs // C-CSCkCbC - L7: Cs-C=S(Cds-Cdd-Cd)CbCs // C-CS(Cd-Ca)CbC - L5: Cs-(Cds-Cd)(Cds-Cd)CbCs - L6: Cs-(Cds-Cds)(Cds-Cds)CbCs // C-CdCdCbC - L6: Cs-(Cds-Cdd)(Cds-Cds)CbCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CbCs // Cs-CkCdCbC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CbCs // Cs-CkCdCbC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCs // Cs-(Cd-Ca)CdCbC - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCs // Cs-CkCkCbC - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCs // Cs-Ck(Cd-Ca)CbC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CbCs // Cs-CkCkCbC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CbCs // Cs-Ck(Cd-Ca)CbC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCs // Cs-(Cd-Ca)(Cd-Ca)CbC - L4: Cs-CtCtCdsCs - L5: Cs-(Cds-Od)CtCtCs // C-COCtCtC - L5: Cs-C=SCtCtCs // C-CSCtCtC - L5: Cs-(Cds-Cd)CtCtCs - L6: Cs-(Cds-Cds)CtCtCs // C-CdCtCtC - L6: Cs-(Cds-Cdd)CtCtCs - L7: Cs-(Cds-Cdd-Od)CtCtCs // C-CkCtCtC - L7: Cs-(Cds-Cdd-Sd)CtCtCs // C-CkCtCtC - L7: Cs-(Cds-Cdd-Cd)CtCtCs // C-(Cd-Ca)CtCtC - L4: Cs-CbCtCdsCs - L5: Cs-(Cds-Od)CbCtCs // C-COCbCtC - L5: Cs-C=SCbCtCs // C-CSCbCtC - L5: Cs-(Cds-Cd)CbCtCs - L6: Cs-(Cds-Cds)CbCtCs // C-CdCbCtC - L6: Cs-(Cds-Cdd)CbCtCs - L7: Cs-(Cds-Cdd-Od)CbCtCs // C-CkCbCtC - L7: Cs-(Cds-Cdd-Sd)CbCtCs // C-CkCbCtC - L7: Cs-(Cds-Cdd-Cd)CbCtCs // C-(Cd-Ca)CbCtC - L4: Cs-CbCbCdsCs - L5: Cs-(Cds-Od)CbCbCs // C-COCbCbC - L5: Cs-C=SCbCbCs // C-CSCbCbC - L5: Cs-(Cds-Cd)CbCbCs - L6: Cs-(Cds-Cds)CbCbCs // C-CdCbCbC - L6: Cs-(Cds-Cdd)CbCbCs - L7: Cs-(Cds-Cdd-Od)CbCbCs // C-CkCbCbC - L7: Cs-(Cds-Cdd-Sd)CbCbCs // C-CkCbCbC - L7: Cs-(Cds-Cdd-Cd)CbCbCs // C-(Cd-Ca)CbCbC - L4: Cs-CtCtCtCs - L4: Cs-CbCtCtCs - L4: Cs-CbCbCtCs - L4: Cs-CbCbCbCs - L4: Cs-CdsCdsCdsCds - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Od) // C-COCOCOCO - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cd) - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) // C-COCOCOCd - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd) - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Od) // C-COCOCOCk - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Cd) // C-COCOCO(Cd-Ca) - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)(Cds-Cd) - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) // C-COCOCdCd - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cds) - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) // Cs-COCOCkCd - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds) // Cs-COCO(Cd-Ca)Cd - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) // Cs-COCOCkCk - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) // Cs-COCOCk(Cd-Ca) - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // Cs-COCO(Cd-Ca)(Cd-Ca) - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)(Cds-Cd) - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) // C-COCdCdCd - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd) - L7: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) // C-COCdCdCk - L7: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) // C-COCdCd(Cd-Ca) - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) // C-COCdCkCk - L7: Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) // C-COCdCk(Cd-Ca) - L7: Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-COCd(Cd-Ca)(Cd-Ca) - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) // C-COCkCkCk - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) // C-COCkCk(Cd-Ca) - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-COCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CO(Cd-Ca)(Cd-Ca)(Cd-Ca) - L5: Cs-C=SC=SC=SC=S // C-CSCSCSCS - L5: Cs-C=SC=SC=S(Cds-Cd) - L6: Cs-C=SC=SC=S(Cds-Cds) // C-CSCSCSCd - L6: Cs-C=SC=SC=S(Cds-Cdd) - L7: Cs-C=SC=SC=S(Cds-Cdd-Sd) // C-CSCSCSCk - L7: Cs-C=SC=SC=S(Cds-Cdd-Cd) // C-CSCSCS(Cd-Ca) - L5: Cs-C=SC=S(Cds-Cd)(Cds-Cd) - L6: Cs-C=SC=S(Cds-Cds)(Cds-Cds) // C-CSCSCdCd - L6: Cs-C=SC=S(Cds-Cdd)(Cds-Cds) - L7: Cs-C=SC=S(Cds-Cdd-Sd)(Cds-Cds) // Cs-CSCSCkCd - L7: Cs-C=SC=S(Cds-Cdd-Cd)(Cds-Cds) // Cs-CSCS(Cd-Ca)Cd - L6: Cs-C=SC=S(Cds-Cdd)(Cds-Cdd) - L7: Cs-C=SC=S(Cds-Cdd-Sd)(Cds-Cdd-Sd) // Cs-CSCSCkCk - L7: Cs-C=SC=S(Cds-Cdd-Sd)(Cds-Cdd-Cd) // Cs-CSCSCk(Cd-Ca) - L7: Cs-C=SC=S(Cds-Cdd-Cd)(Cds-Cdd-Cd) // Cs-CSCS(Cd-Ca)(Cd-Ca) - L5: Cs-C=S(Cds-Cd)(Cds-Cd)(Cds-Cd) - L6: Cs-C=S(Cds-Cds)(Cds-Cds)(Cds-Cds) // C-CSCdCdCd - L6: Cs-C=S(Cds-Cds)(Cds-Cds)(Cds-Cdd) - L7: Cs-C=S(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd) // C-CSCdCdCk - L7: Cs-C=S(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) // C-CSCdCd(Cd-Ca) - L6: Cs-C=S(Cds-Cds)(Cds-Cdd)(Cds-Cdd) - L7: Cs-C=S(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd) // C-CSCdCkCk - L7: Cs-C=S(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd) // C-CSCdCk(Cd-Ca) - L7: Cs-C=S(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CSCd(Cd-Ca)(Cd-Ca) - L6: Cs-C=S(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd) // C-CSCkCkCk - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd) // C-CSCkCk(Cd-Ca) - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CSCk(Cd-Ca)(Cd-Ca) - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CS(Cd-Ca)(Cd-Ca)(Cd-Ca) - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)(Cds-Cd) - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) // C-CdCdCdCd - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd) - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) // C-CdCdCdCk - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd) // C-CdCdCdCk - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) // C-CdCdCd(Cd-Ca) - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) // C-CdCdCkCk - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) // C-CdCdCk(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd) // C-CdCdCkCk - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd) // C-CdCdCk(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CdCd(Cd-Ca)(Cd-Ca) - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) // C-CdCkCkCk - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) // C-CdCkCk(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CdCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd) // C-CdCkCkCk - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd) // C-CdCkCk(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CdCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-Cd(Cd-Ca)(Cd-Ca)(Cd-Ca) - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) // C-CkCkCkCk - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) // C-CkCkCk(Cd-Ca) - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CkCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-Ck(Cd-Ca)(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd) // C-CkCkCkCk - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd) // C-CkCkCk(Cd-Ca) - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CkCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-Ck(Cd-Ca)(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-(Cd-Ca)(Cd-Ca)(Cd-Ca)(Cd-Ca) - L4: Cs-CtCdsCdsCds - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)Ct // C-COCOCOCt - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Ct - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct // C-COCOCdCt - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Ct - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Ct // C-COCOCkCt - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Ct // C-COCO(Cd-Ca)Ct - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Ct - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct // C-COCdCdCt - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Ct - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Ct // Cs-COCkCdCt - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Ct // Cs-CO(Cd-Ca)CdCt - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Ct - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct // Cs-COCkCkCt - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct // Cs-COCk(Cd-Ca)Ct - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct // Cs-CO(Cd-Ca)(Cd-Ca)Ct - L5: Cs-C=SC=SC=SCt // C-CSCSCSCt - L5: Cs-C=SC=S(Cds-Cd)Ct - L6: Cs-C=SC=S(Cds-Cds)Ct // C-CSCSCdCt - L6: Cs-C=SC=S(Cds-Cdd)Ct - L7: Cs-C=SC=S(Cds-Cdd-Sd)Ct // C-CSCSCkCt - L7: Cs-C=SC=S(Cds-Cdd-Cd)Ct // C-CSCS(Cd-Ca)Ct - L5: Cs-C=S(Cds-Cd)(Cds-Cd)Ct - L6: Cs-C=S(Cds-Cds)(Cds-Cds)Ct // C-CSCdCdCt - L6: Cs-C=S(Cds-Cdd)(Cds-Cds)Ct - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cds)Ct // Cs-CSCkCdCt - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cds)Ct // Cs-CS(Cd-Ca)CdCt - L6: Cs-C=S(Cds-Cdd)(Cds-Cdd)Ct - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ct // Cs-CSCkCkCt - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ct // Cs-CSCk(Cd-Ca)Ct - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct // Cs-CS(Cd-Ca)(Cd-Ca)Ct - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Ct - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct // C-CdCdCdCt - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Ct - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct // C-CdCdCkCt - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)Ct // C-CdCdCkCt - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Ct // C-CdCd(Cd-Ca)Ct - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Ct - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct // C-CdCkCkCt - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct // C-CdCk(Cd-Ca)Ct - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ct // C-CdCkCkCt - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ct // C-CdCk(Cd-Ca)Ct - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct // C-Cd(Cd-Ca)(Cd-Ca)Ct - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Ct - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct // C-CkCkCkCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct // C-CkCk(Cd-Ca)Ct - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct // C-Ck(Cd-Ca)(Cd-Ca)Ct - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ct // C-CkCkCkCt - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ct // C-CkCk(Cd-Ca)Ct - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct // C-Ck(Cd-Ca)(Cd-Ca)Ct - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct // C-(Cd-Ca)(Cd-Ca)(Cd-Ca)Ct - L4: Cs-CbCdsCdsCds - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cb // C-COCOCOCb - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cb - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cb // C-COCOCdCb - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cb - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cb // C-COCOCkCb - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cb // C-COCO(Cd-Ca)Cb - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cb - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb // C-COCdCdCb - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cb - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cb // Cs-COCkCdCb - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cb // Cs-CO(Cd-Ca)CdCb - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cb - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb // Cs-COCkCkCb - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb // Cs-COCk(Cd-Ca)Cb - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb // Cs-CO(Cd-Ca)(Cd-Ca)Cb - L5: Cs-C=SC=SC=SCb // C-CSCSCSCb - L5: Cs-C=SC=S(Cds-Cd)Cb - L6: Cs-C=SC=S(Cds-Cds)Cb // C-CSCSCdCb - L6: Cs-C=SC=S(Cds-Cdd)Cb - L7: Cs-C=SC=S(Cds-Cdd-Sd)Cb // C-CSCSCkCb - L7: Cs-C=SC=S(Cds-Cdd-Cd)Cb // C-CSCS(Cd-Ca)Cb - L5: Cs-C=S(Cds-Cd)(Cds-Cd)Cb - L6: Cs-C=S(Cds-Cds)(Cds-Cds)Cb // C-CSCdCdCb - L6: Cs-C=S(Cds-Cdd)(Cds-Cds)Cb - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cds)Cb // Cs-CSCkCdCb - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cds)Cb // Cs-CS(Cd-Ca)CdCb - L6: Cs-C=S(Cds-Cdd)(Cds-Cdd)Cb - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cb // Cs-CSCkCkCb - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cb // Cs-CSCk(Cd-Ca)Cb - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb // Cs-CS(Cd-Ca)(Cd-Ca)Cb - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cb - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb // C-CdCdCdCb - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cb - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cb // C-CdCdCkCb - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)Cb // C-CdCdCkCb - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cb // C-CdCd(Cd-Ca)Cb - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cb - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb // C-CdCkCkCb - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb // C-CdCk(Cd-Ca)Cb - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cb // C-CdCkCkCb - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cb // C-CdCk(Cd-Ca)Cb - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb // C-Cd(Cd-Ca)(Cd-Ca)Cb - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cb - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb // C-CkCkCkCb - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb // C-CkCk(Cd-Ca)Cb - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb // C-Ck(Cd-Ca)(Cd-Ca)Cb - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Cb // C-CkCkCkCb - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Cb // C-CkCk(Cd-Ca)Cb - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb // C-Ck(Cd-Ca)(Cd-Ca)Cb - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb // C-(Cd-Ca)(Cd-Ca)(Cd-Ca)Cb - L4: Cs-CtCtCdsCds - L5: Cs-(Cds-Od)(Cds-Od)CtCt // C-COCOCtCt - L5: Cs-(Cds-Od)(Cds-Cd)CtCt - L6: Cs-(Cds-Od)(Cds-Cds)CtCt // C-COCdCtCt - L6: Cs-(Cds-Od)(Cds-Cdd)CtCt - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CtCt // C-COCkCtCt - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CtCt // C-CO(Cd-Ca)CtCt - L5: Cs-C=SC=SCtCt // C-CSCSCtCt - L5: Cs-C=S(Cds-Cd)CtCt - L6: Cs-C=S(Cds-Cds)CtCt // C-CSCdCtCt - L6: Cs-C=S(Cds-Cdd)CtCt - L7: Cs-C=S(Cds-Cdd-Sd)CtCt // C-CSCkCtCt - L7: Cs-C=S(Cds-Cdd-Cd)CtCt // C-CS(Cd-Ca)CtCt - L5: Cs-(Cds-Cd)(Cds-Cd)CtCt - L6: Cs-(Cds-Cds)(Cds-Cds)CtCt // C-CdCdCtCt - L6: Cs-(Cds-Cdd)(Cds-Cds)CtCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CtCt // Cs-CkCdCtCt - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CtCt // Cs-CkCdCtCt - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCt // Cs-(Cd-Ca)CdCtCt - L6: Cs-(Cds-Cdd)(Cds-Cdd)CtCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCt // Cs-CkCkCtCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCt // Cs-Ck(Cd-Ca)CtCt - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CtCt // Cs-CkCkCtCt - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CtCt // Cs-Ck(Cd-Ca)CtCt - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCt // Cs-(Cd-Ca)(Cd-Ca)CtCt - L4: Cs-CbCtCdsCds - L5: Cs-(Cds-Od)(Cds-Od)CbCt // C-COCOCbCt - L5: Cs-(Cds-Od)(Cds-Cd)CbCt - L6: Cs-(Cds-Od)(Cds-Cds)CbCt // C-COCdCbCt - L6: Cs-(Cds-Od)(Cds-Cdd)CbCt - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CbCt // C-COCkCbCt - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CbCt // C-CO(Cd-Ca)CbCt - L5: Cs-C=SC=SCbCt // C-CSCSCbCt - L5: Cs-C=S(Cds-Cd)CbCt - L6: Cs-C=S(Cds-Cds)CbCt // C-CSCdCbCt - L6: Cs-C=S(Cds-Cdd)CbCt - L7: Cs-C=S(Cds-Cdd-Sd)CbCt // C-CSCkCbCt - L7: Cs-C=S(Cds-Cdd-Cd)CbCt // C-CS(Cd-Ca)CbCt - L5: Cs-(Cds-Cd)(Cds-Cd)CbCt - L6: Cs-(Cds-Cds)(Cds-Cds)CbCt // C-CdCdCbCt - L6: Cs-(Cds-Cdd)(Cds-Cds)CbCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CbCt // Cs-CkCdCbCt - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CbCt // Cs-CkCdCbCt - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCt // Cs-(Cd-Ca)CdCbCt - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCt // Cs-CkCkCbCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCt // Cs-Ck(Cd-Ca)CbCt - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CbCt // Cs-CkCkCbCt - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CbCt // Cs-Ck(Cd-Ca)CbCt - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCt // Cs-(Cd-Ca)(Cd-Ca)CbCt - L4: Cs-CbCbCdsCds - L5: Cs-(Cds-Od)(Cds-Od)CbCb // C-COCOCbCb - L5: Cs-(Cds-Od)(Cds-Cd)CbCb - L6: Cs-(Cds-Od)(Cds-Cds)CbCb // C-COCdCbCb - L6: Cs-(Cds-Od)(Cds-Cdd)CbCb - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CbCb // C-COCkCbCb - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CbCb // C-CO(Cd-Ca)CbCb - L5: Cs-C=SC=SCbCb // C-CSCSCbCb - L5: Cs-C=S(Cds-Cd)CbCb - L6: Cs-C=S(Cds-Cds)CbCb // C-CSCdCbCb - L6: Cs-C=S(Cds-Cdd)CbCb - L7: Cs-C=S(Cds-Cdd-Sd)CbCb // C-CSCkCbCb - L7: Cs-C=S(Cds-Cdd-Cd)CbCb // C-CS(Cd-Ca)CbCb - L5: Cs-(Cds-Cd)(Cds-Cd)CbCb - L6: Cs-(Cds-Cds)(Cds-Cds)CbCb // C-CdCdCbCb - L6: Cs-(Cds-Cdd)(Cds-Cds)CbCb - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CbCb // Cs-CkCdCbCb - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CbCb // Cs-CkCdCbCb - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCb // Cs-(Cd-Ca)CdCbCb - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbCb - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCb // Cs-CkCkCbCb - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCb // Cs-Ck(Cd-Ca)CbCb - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CbCb // Cs-CkCkCbCb - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CbCb // Cs-Ck(Cd-Ca)CbCb - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCb // Cs-(Cd-Ca)(Cd-Ca)CbCb - L4: Cs-CtCtCtCds - L5: Cs-(Cds-Od)CtCtCt // C-COCtCtCt - L5: Cs-C=SCtCtCt // C-CSCtCtCt - L5: Cs-(Cds-Cd)CtCtCt - L6: Cs-(Cds-Cds)CtCtCt // C-CdCtCtCt - L6: Cs-(Cds-Cdd)CtCtCt - L7: Cs-(Cds-Cdd-Od)CtCtCt // C-CkCtCtCt - L7: Cs-(Cds-Cdd-Sd)CtCtCt // C-CkCtCtCt - L7: Cs-(Cds-Cdd-Cd)CtCtCt // C-(Cd-Ca)CtCtCt - L4: Cs-CbCtCtCds - L5: Cs-(Cds-Od)CbCtCt // C-COCbCtCt - L5: Cs-C=SCbCtCt // C-CSCbCtCt - L5: Cs-(Cds-Cd)CbCtCt - L6: Cs-(Cds-Cds)CbCtCt // C-CdCbCtCt - L6: Cs-(Cds-Cdd)CbCtCt - L7: Cs-(Cds-Cdd-Od)CbCtCt // C-CkCbCtCt - L7: Cs-(Cds-Cdd-Sd)CbCtCt // C-CkCbCtCt - L7: Cs-(Cds-Cdd-Cd)CbCtCt // C-(Cd-Ca)CbCtCt - L4: Cs-CbCbCtCds - L5: Cs-(Cds-Od)CbCbCt // C-COCbCbCt - L5: Cs-C=SCbCbCt // C-CSCbCbCt - L5: Cs-(Cds-Cd)CbCbCt - L6: Cs-(Cds-Cds)CbCbCt // C-CdCbCbCt - L6: Cs-(Cds-Cdd)CbCbCt - L7: Cs-(Cds-Cdd-Od)CbCbCt // C-CkCbCbCt - L7: Cs-(Cds-Cdd-Sd)CbCbCt // C-CkCbCbCt - L7: Cs-(Cds-Cdd-Cd)CbCbCt // C-(Cd-Ca)CbCbCt - L4: Cs-CbCbCbCds - L5: Cs-(Cds-Od)CbCbCb // C-COCbCbCb - L5: Cs-C=SCbCbCb // C-CSCbCbCb - L5: Cs-(Cds-Cd)CbCbCb - L6: Cs-(Cds-Cds)CbCbCb // C-CdCbCbCb - L6: Cs-(Cds-Cdd)CbCbCb - L7: Cs-(Cds-Cdd-Od)CbCbCb // C-CkCbCbCb - L7: Cs-(Cds-Cdd-Sd)CbCbCb // C-CkCbCbCb - L7: Cs-(Cds-Cdd-Cd)CbCbCb // C-(Cd-Ca)CbCbCb - L4: Cs-CtCtCtCt - L4: Cs-CbCtCtCt - L4: Cs-CbCbCtCt - L4: Cs-CbCbCbCt - L4: Cs-CbCbCbCb - - L3: Cs-CCCOs - L4: Cs-CsCsCsOs - L4: Cs-CdsCsCsOs - L5: Cs-(Cds-Od)CsCsOs // C-OCOCC - L5: Cs-(Cds-Cd)CsCsOs - L6: Cs-(Cds-Cds)CsCsOs // C-OCdCC - L6: Cs-(Cds-Cdd)CsCsOs - L7: Cs-(Cds-Cdd-Od)CsCsOs // C-OCkCC - L7: Cs-(Cds-Cdd-Cd)CsCsOs // C-O(Cd-Ca)CC - L4: Cs-OsCtCsCs - L4: Cs-CbCsCsOs - L4: Cs-CdsCdsCsOs - L5: Cs-(Cds-Od)(Cds-Od)CsOs // C-OCOCOC - L5: Cs-(Cds-Od)(Cds-Cd)CsOs - L6: Cs-(Cds-Od)(Cds-Cds)CsOs // C-OCOCdC - L6: Cs-(Cds-Od)(Cds-Cdd)CsOs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CsOs // C-OCOCkC - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CsOs // C-OCO(Cd-Ca)C - L5: Cs-(Cds-Cd)(Cds-Cd)CsOs - L6: Cs-(Cds-Cds)(Cds-Cds)CsOs // C-OCdCdC - L6: Cs-(Cds-Cdd)(Cds-Cds)CsOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs // Cs-OCkCdC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CsOs // Cs-O(Cd-Ca)CdC - L6: Cs-(Cds-Cdd)(Cds-Cdd)CsOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsOs // Cs-OCkCkC - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsOs // Cs-OCk(Cd-Ca)C - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsOs // Cs-O(Cd-Ca)(Cd-Ca)C - L4: Cs-CtCdsCsOs - L5: Cs-(Cds-Od)CtCsOs // C-OCOCtC - L5: Cs-(Cds-Cd)CtCsOs - L6: Cs-(Cds-Cds)CtCsOs // C-OCdCtC - L6: Cs-(Cds-Cdd)CtCsOs - L7: Cs-(Cds-Cdd-Od)CtCsOs // C-OCkCtC - L7: Cs-(Cds-Cdd-Cd)CtCsOs // C-O(Cd-Ca)CtC - L4: Cs-CbCdsCsOs - L5: Cs-(Cds-Od)CbCsOs // C-OCOCbC - L5: Cs-(Cds-Cd)CbCsOs - L6: Cs-(Cds-Cds)CbCsOs // C-OCdCbC - L6: Cs-(Cds-Cdd)CbCsOs - L7: Cs-(Cds-Cdd-Od)CbCsOs // C-OCkCbC - L7: Cs-(Cds-Cdd-Cd)CbCsOs // C-O(Cd-Ca)CbC - L4: Cs-CtCtCsOs - L4: Cs-CbCtCsOs - L4: Cs-CbCbCsOs - L4: Cs-CdsCdsCdsOs - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)Os // C-OCOCOCO - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Os - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os // C-OCOCOCd - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Os - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Os // C-OCOCOCk - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Os // C-OCOCO(Cd-Ca) - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Os - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os // C-OCOCdCd - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Os - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os // Cs-OCOCkCd - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Os // Cs-OCO(Cd-Ca)Cd - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Os - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os // Cs-OCOCkCk - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os // Cs-OCOCk(Cd-Ca) - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os // Cs-OCO(Cd-Ca)(Cd-Ca) - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Os - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os // C-OCdCdCd - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Os - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os // C-OCdCdCk - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Os // C-OCdCd(Cd-Ca) - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Os - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os // C-OCdCkCk - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os // C-OCdCk(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os // C-OCd(Cd-Ca)(Cd-Ca) - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Os - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os // C-OCkCkCk - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os // C-OCkCk(Cd-Ca) - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os // C-OCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os // C-O(Cd-Ca)(Cd-Ca)(Cd-Ca) - L4: Cs-CtCdsCdsOs - L5: Cs-(Cds-Od)(Cds-Od)CtOs // C-COCOCtO - L5: Cs-(Cds-Od)(Cds-Cd)CtOs - L6: Cs-(Cds-Od)(Cds-Cds)CtOs // C-COCdCtO - L6: Cs-(Cds-Od)(Cds-Cdd)CtOs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CtOs // C-COCkCtO - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CtOs // C-CO(Cd-Ca)CtO - L5: Cs-(Cds-Cd)(Cds-Cd)CtOs - L6: Cs-(Cds-Cds)(Cds-Cds)CtOs // C-CdCdCtO - L6: Cs-(Cds-Cdd)(Cds-Cds)CtOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CtOs // Cs-CkCdCtO - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CtOs // Cs-(Cd-Ca)CdCtO - L6: Cs-(Cds-Cdd)(Cds-Cdd)CtOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtOs // Cs-CkCkCtO - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtOs // Cs-Ck(Cd-Ca)CtO - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtOs // Cs-(Cd-Ca)(Cd-Ca)CtO - L4: Cs-CbCdsCdsOs - L5: Cs-(Cds-Od)(Cds-Od)CbOs // C-COCOCbO - L5: Cs-(Cds-Od)(Cds-Cd)CbOs - L6: Cs-(Cds-Od)(Cds-Cds)CbOs // C-COCdCbO - L6: Cs-(Cds-Od)(Cds-Cdd)CbOs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CbOs // C-COCkCbO - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CbOs // C-CO(Cd-Ca)CbO - L5: Cs-(Cds-Cd)(Cds-Cd)CbOs - L6: Cs-(Cds-Cds)(Cds-Cds)CbOs // C-CdCdCbO - L6: Cs-(Cds-Cdd)(Cds-Cds)CbOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CbOs // Cs-CkCdCbO - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbOs // Cs-(Cd-Ca)CdCbO - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbOs // Cs-CkCkCbO - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbOs // Cs-Ck(Cd-Ca)CbO - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbOs // Cs-(Cd-Ca)(Cd-Ca)CbO - L4: Cs-CtCtCdsOs - L5: Cs-(Cds-Od)CtCtOs // C-OCOCtCt - L5: Cs-(Cds-Cd)CtCtOs - L6: Cs-(Cds-Cds)CtCtOs // C-OCdCtCt - L6: Cs-(Cds-Cdd)CtCtOs - L7: Cs-(Cds-Cdd-Od)CtCtOs // C-OCkCtCt - L7: Cs-(Cds-Cdd-Cd)CtCtOs // C-O(Cd-Ca)CtCt - L4: Cs-CbCtCdsOs - L5: Cs-(Cds-Od)CbCtOs // C-OCOCbCt - L5: Cs-(Cds-Cd)CbCtOs - L6: Cs-(Cds-Cds)CbCtOs // C-OCdCbCt - L6: Cs-(Cds-Cdd)CbCtOs - L7: Cs-(Cds-Cdd-Od)CbCtOs // C-OCkCbCt - L7: Cs-(Cds-Cdd-Cd)CbCtOs // C-O(Cd-Ca)CbCt - L4: Cs-CbCbCdsOs - L5: Cs-(Cds-Od)CbCbOs // C-OCOCbCb - L5: Cs-(Cds-Cd)CbCbOs - L6: Cs-(Cds-Cds)CbCbOs // C-OCdCbCb - L6: Cs-(Cds-Cdd)CbCbOs - L7: Cs-(Cds-Cdd-Od)CbCbOs // C-OCkCbCb - L7: Cs-(Cds-Cdd-Cd)CbCbOs // C-O(Cd-Ca)CbCb - L4: Cs-CtCtCtOs - L4: Cs-CbCtCtOs - L4: Cs-CbCbCtOs - L4: Cs-CbCbCbOs - - L3: Cs-CCOsOs - L4: Cs-CsCsOsOs - L4: Cs-CdsCsOsOs - L5: Cs-(Cds-Od)CsOsOs // C-OOCOC - L5: Cs-(Cds-Cd)CsOsOs - L6: Cs-(Cds-Cds)CsOsOs // C-OOCdC - L6: Cs-(Cds-Cdd)CsOsOs - L7: Cs-(Cds-Cdd-Od)CsOsOs // C-OOCkC - L7: Cs-(Cds-Cdd-Cd)CsOsOs // C-OO(Cd-Ca)C - L4: Cs-CdsCdsOsOs - L5: Cs-(Cds-Od)(Cds-Od)OsOs // C-OOCOCO - L5: Cs-(Cds-Od)(Cds-Cd)OsOs - L6: Cs-(Cds-Od)(Cds-Cds)OsOs // C-OOCOCd - L6: Cs-(Cds-Od)(Cds-Cdd)OsOs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)OsOs // C-OOCOCk - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)OsOs // C-OOCO(Cd-Ca) - L5: Cs-(Cds-Cd)(Cds-Cd)OsOs - L6: Cs-(Cds-Cds)(Cds-Cds)OsOs // C-CdCdOO - L6: Cs-(Cds-Cdd)(Cds-Cds)OsOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs // Cs-OOCkCd - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)OsOs // Cs-OO(Cd-Ca)Cd - L6: Cs-(Cds-Cdd)(Cds-Cdd)OsOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsOs // Cs-OOCkCk - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsOs // Cs-OOCk(Cd-Ca) - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsOs // Cs-OO(Cd-Ca)(Cd-Ca) - L4: Cs-CtCsOsOs - L4: Cs-CtCdsOsOs - L5: Cs-(Cds-Od)CtOsOs // C-OOCOCt - L5: Cs-(Cds-Cd)CtOsOs - L6: Cs-(Cds-Cds)CtOsOs // C-OOCdCt - L6: Cs-(Cds-Cdd)CtOsOs - L7: Cs-(Cds-Cdd-Od)CtOsOs // C-OOCkCt - L7: Cs-(Cds-Cdd-Cd)CtOsOs // C-OO(Cd-Ca)Ct - L4: Cs-CtCtOsOs - L4: Cs-CbCsOsOs - L4: Cs-CbCdsOsOs - L5: Cs-(Cds-Od)CbOsOs // C-OOCOCb - L5: Cs-(Cds-Cd)CbOsOs - L6: Cs-(Cds-Cds)CbOsOs // C-OOCdCb - L6: Cs-(Cds-Cdd)CbOsOs - L7: Cs-(Cds-Cdd-Od)CbOsOs // C-OOCkCb - L7: Cs-(Cds-Cdd-Cd)CbOsOs // C-OO(Cd-Ca)Cb - L4: Cs-CbCtOsOs - L4: Cs-CbCbOsOs - - L3: Cs-COsOsOs - L4: Cs-CsOsOsOs - L4: Cs-CdsOsOsOs - L5: Cs-(Cds-Od)OsOsOs // C-OOOCO - L5: Cs-(Cds-Cd)OsOsOs - L6: Cs-(Cds-Cds)OsOsOs // C-OOOCd - L6: Cs-(Cds-Cdd)OsOsOs - L7: Cs-(Cds-Cdd-Od)OsOsOs // C-OOOCk - L7: Cs-(Cds-Cdd-Cd)OsOsOs // C-OOO(Cd-Ca) - L4: Cs-CtOsOsOs - L4: Cs-CbOsOsOs - - L3: Cs-OsOsOsOs - - L3: Cs-COsOsH - L4: Cs-CsOsOsH - L4: Cs-CdsOsOsH - L5: Cs-(Cds-Od)OsOsH // C-OOCOH - L5: Cs-(Cds-Cd)OsOsH - L6: Cs-(Cds-Cds)OsOsH // C-OOCdH - L6: Cs-(Cds-Cdd)OsOsH - L7: Cs-(Cds-Cdd-Od)OsOsH // C-OOCkH - L7: Cs-(Cds-Cdd-Cd)OsOsH // C-OO(Cd-Ca)H - L4: Cs-CtOsOsH - L4: Cs-CbOsOsH - - L3: Cs-CCOsH - L4: Cs-CsCsOsH - L4: Cs-CdsCsOsH - L5: Cs-(Cds-Od)CsOsH // C-OCOCH - L5: Cs-(Cds-Cd)CsOsH - L6: Cs-(Cds-Cds)CsOsH // C-OCdCH - L6: Cs-(Cds-Cdd)CsOsH - L7: Cs-(Cds-Cdd-Od)CsOsH // C-OCkCH - L7: Cs-(Cds-Cdd-Cd)CsOsH // C-O(Cd-Ca)CH - L4: Cs-CdsCdsOsH - L5: Cs-(Cds-Od)(Cds-Od)OsH // C-OCOCOH - L5: Cs-(Cds-Od)(Cds-Cd)OsH - L6: Cs-(Cds-Od)(Cds-Cds)OsH // C-OCOCdH - L6: Cs-(Cds-Od)(Cds-Cdd)OsH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)OsH // C-OCOCkH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)OsH // C-OCO(Cd-Ca)H - L5: Cs-(Cds-Cd)(Cds-Cd)OsH - L6: Cs-(Cds-Cds)(Cds-Cds)OsH // C-CdCdOH - L6: Cs-(Cds-Cdd)(Cds-Cds)OsH - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)OsH // Cs-OCkCdH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)OsH // Cs-O(Cd-Ca)CdH - L6: Cs-(Cds-Cdd)(Cds-Cdd)OsH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsH // Cs-OCkCkH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsH // Cs-OCk(Cd-Ca)H - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsH // Cs-O(Cd-Ca)(Cd-Ca)H - L4: Cs-CtCsOsH - L4: Cs-CtCdsOsH - L5: Cs-(Cds-Od)CtOsH // C-OCOCtH - L5: Cs-(Cds-Cd)CtOsH - L6: Cs-(Cds-Cds)CtOsH // C-OCdCtH - L6: Cs-(Cds-Cdd)CtOsH - L7: Cs-(Cds-Cdd-Od)CtOsH // C-OCkCtH - L7: Cs-(Cds-Cdd-Cd)CtOsH // C-O(Cd-Ca)CtH - L4: Cs-CtCtOsH - L4: Cs-CbCsOsH - L4: Cs-CbCdsOsH - L5: Cs-(Cds-Od)CbOsH // C-OCOCbH - L5: Cs-(Cds-Cd)CbOsH - L6: Cs-(Cds-Cds)CbOsH // C-OCdCbH - L6: Cs-(Cds-Cdd)CbOsH - L7: Cs-(Cds-Cdd-Od)CbOsH // C-OCkCbH - L7: Cs-(Cds-Cdd-Cd)CbOsH // C-O(Cd-Ca)CbH - L4: Cs-CbCtOsH - L4: Cs-CbCbOsH - - L3: Cs-COsHH - L4: Cs-CsOsHH - L4: Cs-CdsOsHH - L5: Cs-(Cds-Od)OsHH // C-OCOHH - L5: Cs-(Cds-Cd)OsHH - L6: Cs-(Cds-Cds)OsHH // C-OCdHH - L6: Cs-(Cds-Cdd)OsHH - L7: Cs-(Cds-Cdd-Od)OsHH // C-OCkHH - L7: Cs-(Cds-Cdd-Cd)OsHH // C-O(Cd-Ca)HH - L4: Cs-CtOsHH - L4: Cs-CbOsHH - - L3: Cs-CCCSs - L4: Cs-CsCsCsSs - L4: Cs-CdsCsCsSs - L5: Cs-C=SCsCsSs // C-SCSCC - L5: Cs-(Cds-Cd)CsCsSs - L6: Cs-(Cds-Cds)CsCsSs // C-SCdCC - L6: Cs-(Cds-Cdd)CsCsSs - L7: Cs-(Cds-Cdd-Sd)CsCsSs // C-SCkCC - L7: Cs-(Cds-Cdd-Cd)CsCsSs // C-S(Cd-Ca)CC - L4: Cs-SsCtCsCs - L4: Cs-CbCsCsSs - L4: Cs-CdsCdsCsSs - L5: Cs-C=SC=SCsSs // C-SCSCSC - L5: Cs-C=S(Cds-Cd)CsSs - L6: Cs-C=S(Cds-Cds)CsSs // C-SCSCdC - L6: Cs-C=S(Cds-Cdd)CsSs - L7: Cs-C=S(Cds-Cdd-Sd)CsSs // C-SCSCkC - L7: Cs-C=S(Cds-Cdd-Cd)CsSs // C-SCS(Cd-Ca)C - L5: Cs-(Cds-Cd)(Cds-Cd)CsSs - L6: Cs-(Cds-Cds)(Cds-Cds)CsSs // C-SCdCdC - L6: Cs-(Cds-Cdd)(Cds-Cds)CsSs - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CsSs // Cs-SCkCdC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CsSs // Cs-S(Cd-Ca)CdC - L6: Cs-(Cds-Cdd)(Cds-Cdd)CsSs - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CsSs // Cs-SCkCkC - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CsSs // Cs-SCk(Cd-Ca)C - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsSs // Cs-S(Cd-Ca)(Cd-Ca)C - L4: Cs-CtCdsCsSs - L5: Cs-C=SCtCsSs // C-SCSCtC - L5: Cs-(Cds-Cd)CtCsSs - L6: Cs-(Cds-Cds)CtCsSs // C-SCdCtC - L6: Cs-(Cds-Cdd)CtCsSs - L7: Cs-(Cds-Cdd-Sd)CtCsSs // C-SCkCtC - L7: Cs-(Cds-Cdd-Cd)CtCsSs // C-S(Cd-Ca)CtC - L4: Cs-CbCdsCsSs - L5: Cs-C=SCbCsSs // C-SCSCbC - L5: Cs-(Cds-Cd)CbCsSs - L6: Cs-(Cds-Cds)CbCsSs // C-SCdCbC - L6: Cs-(Cds-Cdd)CbCsSs - L7: Cs-(Cds-Cdd-Sd)CbCsSs // C-SCkCbC - L7: Cs-(Cds-Cdd-Cd)CbCsSs // C-S(Cd-Ca)CbC - L4: Cs-CtCtCsSs - L4: Cs-CbCtCsSs - L4: Cs-CbCbCsSs - L4: Cs-CdsCdsCdsSs - L5: Cs-C=SC=SC=SSs // C-SCSCSCS - L5: Cs-C=SC=S(Cds-Cd)Ss - L6: Cs-C=SC=S(Cds-Cds)Ss // C-SCSCSCd - L6: Cs-C=SC=S(Cds-Cdd)Ss - L7: Cs-C=SC=S(Cds-Cdd-Sd)Ss // C-SCSCSCk - L7: Cs-C=SC=S(Cds-Cdd-Cd)Ss // C-SCSCS(Cd-Ca) - L5: Cs-C=S(Cds-Cd)(Cds-Cd)Ss - L6: Cs-C=S(Cds-Cds)(Cds-Cds)Ss // C-SCSCdCd - L6: Cs-C=S(Cds-Cdd)(Cds-Cds)Ss - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cds)Ss // Cs-SCSCkCd - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cds)Ss // Cs-SCS(Cd-Ca)Cd - L6: Cs-C=S(Cds-Cdd)(Cds-Cdd)Ss - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ss // Cs-SCSCkCk - L7: Cs-C=S(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ss // Cs-SCSCk(Cd-Ca) - L7: Cs-C=S(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ss // Cs-SCS(Cd-Ca)(Cd-Ca) - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Ss - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ss // C-SCdCdCd - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Ss - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Sd)Ss // C-SCdCdCk - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Ss // C-SCdCd(Cd-Ca) - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Ss - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ss // C-SCdCkCk - L7: Cs-(Cds-Cds)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ss // C-SCdCk(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ss // C-SCd(Cd-Ca)(Cd-Ca) - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Ss - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Sd)Ss // C-SCkCkCk - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)(Cds-Cdd-Cd)Ss // C-SCkCk(Cd-Ca) - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ss // C-SCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ss // C-S(Cd-Ca)(Cd-Ca)(Cd-Ca) - L4: Cs-CtCdsCdsSs - L5: Cs-C=SC=SCtSs // C-CSCSCtS - L5: Cs-C=S(Cds-Cd)CtSs - L6: Cs-C=S(Cds-Cds)CtSs // C-CSCdCtS - L6: Cs-C=S(Cds-Cdd)CtSs - L7: Cs-C=S(Cds-Cdd-Sd)CtSs // C-CSCkCtS - L7: Cs-C=S(Cds-Cdd-Cd)CtSs // C-CS(Cd-Ca)CtS - L5: Cs-(Cds-Cd)(Cds-Cd)CtSs - L6: Cs-(Cds-Cds)(Cds-Cds)CtSs // C-CdCdCtS - L6: Cs-(Cds-Cdd)(Cds-Cds)CtSs - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CtSs // Cs-CkCdCtS - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CtSs // Cs-(Cd-Ca)CdCtS - L6: Cs-(Cds-Cdd)(Cds-Cdd)CtSs - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CtSs // Cs-CkCkCtS - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CtSs // Cs-Ck(Cd-Ca)CtS - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtSs // Cs-(Cd-Ca)(Cd-Ca)CtS - L4: Cs-CbCdsCdsSs - L5: Cs-C=SC=SCbSs // C-CSCSCbS - L5: Cs-C=S(Cds-Cd)CbSs - L6: Cs-C=S(Cds-Cds)CbSs // C-CSCdCbS - L6: Cs-C=S(Cds-Cdd)CbSs - L7: Cs-C=S(Cds-Cdd-Sd)CbSs // C-CSCkCbS - L7: Cs-C=S(Cds-Cdd-Cd)CbSs // C-CS(Cd-Ca)CbS - L5: Cs-(Cds-Cd)(Cds-Cd)CbSs - L6: Cs-(Cds-Cds)(Cds-Cds)CbSs // C-CdCdCbS - L6: Cs-(Cds-Cdd)(Cds-Cds)CbSs - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)CbSs // Cs-CkCdCbS - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbSs // Cs-(Cd-Ca)CdCbS - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbSs - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)CbSs // Cs-CkCkCbS - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)CbSs // Cs-Ck(Cd-Ca)CbS - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbSs // Cs-(Cd-Ca)(Cd-Ca)CbS - L4: Cs-CtCtCdsSs - L5: Cs-C=SCtCtSs // C-SCSCtCt - L5: Cs-(Cds-Cd)CtCtSs - L6: Cs-(Cds-Cds)CtCtSs // C-SCdCtCt - L6: Cs-(Cds-Cdd)CtCtSs - L7: Cs-(Cds-Cdd-Sd)CtCtSs // C-SCkCtCt - L7: Cs-(Cds-Cdd-Cd)CtCtSs // C-S(Cd-Ca)CtCt - L4: Cs-CbCtCdsSs - L5: Cs-C=SCbCtSs // C-SCSCbCt - L5: Cs-(Cds-Cd)CbCtSs - L6: Cs-(Cds-Cds)CbCtSs // C-SCdCbCt - L6: Cs-(Cds-Cdd)CbCtSs - L7: Cs-(Cds-Cdd-Sd)CbCtSs // C-SCkCbCt - L7: Cs-(Cds-Cdd-Cd)CbCtSs // C-S(Cd-Ca)CbCt - L4: Cs-CbCbCdsSs - L5: Cs-C=SCbCbSs // C-SCSCbCb - L5: Cs-(Cds-Cd)CbCbSs - L6: Cs-(Cds-Cds)CbCbSs // C-SCdCbCb - L6: Cs-(Cds-Cdd)CbCbSs - L7: Cs-(Cds-Cdd-Sd)CbCbSs // C-SCkCbCb - L7: Cs-(Cds-Cdd-Cd)CbCbSs // C-S(Cd-Ca)CbCb - L4: Cs-CtCtCtSs - L4: Cs-CbCtCtSs - L4: Cs-CbCbCtSs - L4: Cs-CbCbCbSs - - L3: Cs-CCSsSs - L4: Cs-CsCsSsSs - L4: Cs-CdsCsSsSs - L5: Cs-C=SCsSsSs // C-SSCSC - L5: Cs-(Cds-Cd)CsSsSs - L6: Cs-(Cds-Cds)CsSsSs // C-SSCdC - L6: Cs-(Cds-Cdd)CsSsSs - L7: Cs-(Cds-Cdd-Sd)CsSsSs // C-SSCkC - L7: Cs-(Cds-Cdd-Cd)CsSsSs // C-SS(Cd-Ca)C - L4: Cs-CdsCdsSsSs - L5: Cs-C=SC=SSsSs // C-SSCSCS - L5: Cs-C=S(Cds-Cd)SsSs - L6: Cs-C=S(Cds-Cds)SsSs // C-SSCSCd - L6: Cs-C=S(Cds-Cdd)SsSs - L7: Cs-C=S(Cds-Cdd-Sd)SsSs // C-SSCSCk - L7: Cs-C=S(Cds-Cdd-Cd)SsSs // C-SSCS(Cd-Ca) - L5: Cs-(Cds-Cd)(Cds-Cd)SsSs - L6: Cs-(Cds-Cds)(Cds-Cds)SsSs // C-CdCdSS - L6: Cs-(Cds-Cdd)(Cds-Cds)SsSs - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)SsSs // Cs-SSCkCd - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)SsSs // Cs-SS(Cd-Ca)Cd - L6: Cs-(Cds-Cdd)(Cds-Cdd)SsSs - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)SsSs // Cs-SSCkCk - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)SsSs // Cs-SSCk(Cd-Ca) - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)SsSs // Cs-SS(Cd-Ca)(Cd-Ca) - L4: Cs-CtCsSsSs - L4: Cs-CtCdsSsSs - L5: Cs-C=SCtSsSs // C-SSCSCt - L5: Cs-(Cds-Cd)CtSsSs - L6: Cs-(Cds-Cds)CtSsSs // C-SSCdCt - L6: Cs-(Cds-Cdd)CtSsSs - L7: Cs-(Cds-Cdd-Sd)CtSsSs // C-SSCkCt - L7: Cs-(Cds-Cdd-Cd)CtSsSs // C-SS(Cd-Ca)Ct - L4: Cs-CtCtSsSs - L4: Cs-CbCsSsSs - L4: Cs-CbCdsSsSs - L5: Cs-C=SCbSsSs // C-SSCSCb - L5: Cs-(Cds-Cd)CbSsSs - L6: Cs-(Cds-Cds)CbSsSs // C-SSCdCb - L6: Cs-(Cds-Cdd)CbSsSs - L7: Cs-(Cds-Cdd-Sd)CbSsSs // C-SSCkCb - L7: Cs-(Cds-Cdd-Cd)CbSsSs // C-SS(Cd-Ca)Cb - L4: Cs-CbCtSsSs - L4: Cs-CbCbSsSs - - L3: Cs-CSsSsSs - L4: Cs-CsSsSsSs - L4: Cs-CdsSsSsSs - L5: Cs-C=SSsSsSs // C-SSSCS - L5: Cs-(Cds-Cd)SsSsSs - L6: Cs-(Cds-Cds)SsSsSs // C-SSSCd - L6: Cs-(Cds-Cdd)SsSsSs - L7: Cs-(Cds-Cdd-Sd)SsSsSs // C-SSSCk - L7: Cs-(Cds-Cdd-Cd)SsSsSs // C-SSS(Cd-Ca) - L4: Cs-CtSsSsSs - L4: Cs-CbSsSsSs - - L3: Cs-SsSsSsSs - - L3: Cs-CSsSsH - L4: Cs-CsSsSsH - L4: Cs-CdsSsSsH - L5: Cs-C=SSsSsH // C-SSCSH - L5: Cs-(Cds-Cd)SsSsH - L6: Cs-(Cds-Cds)SsSsH // C-SSCdH - L6: Cs-(Cds-Cdd)SsSsH - L7: Cs-(Cds-Cdd-Sd)SsSsH // C-SSCkH - L7: Cs-(Cds-Cdd-Cd)SsSsH // C-SS(Cd-Ca)H - L4: Cs-CtSsSsH - L4: Cs-CbSsSsH - - L3: Cs-CCSsH - L4: Cs-CsCsSsH - L4: Cs-CdsCsSsH - L5: Cs-C=SCsSsH // C-SCSCH - L5: Cs-(Cds-Cd)CsSsH - L6: Cs-(Cds-Cds)CsSsH // C-SCdCH - L6: Cs-(Cds-Cdd)CsSsH - L7: Cs-(Cds-Cdd-Sd)CsSsH // C-SCkCH - L7: Cs-(Cds-Cdd-Cd)CsSsH // C-S(Cd-Ca)CH - L4: Cs-CdsCdsSsH - L5: Cs-C=SC=SSsH // C-SCSCSH - L5: Cs-C=S(Cds-Cd)SsH - L6: Cs-C=S(Cds-Cds)SsH // C-SCSCdH - L6: Cs-C=S(Cds-Cdd)SsH - L7: Cs-C=S(Cds-Cdd-Sd)SsH // C-SCSCkH - L7: Cs-C=S(Cds-Cdd-Cd)SsH // C-SCS(Cd-Ca)H - L5: Cs-(Cds-Cd)(Cds-Cd)SsH - L6: Cs-(Cds-Cds)(Cds-Cds)SsH // C-CdCdSH - L6: Cs-(Cds-Cdd)(Cds-Cds)SsH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cds)SsH // Cs-SCkCdH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)SsH // Cs-S(Cd-Ca)CdH - L6: Cs-(Cds-Cdd)(Cds-Cdd)SsH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Sd)SsH // Cs-SCkCkH - L7: Cs-(Cds-Cdd-Sd)(Cds-Cdd-Cd)SsH // Cs-SCk(Cd-Ca)H - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)SsH // Cs-S(Cd-Ca)(Cd-Ca)H - L4: Cs-CtCsSsH - L4: Cs-CtCdsSsH - L5: Cs-C=SCtSsH // C-SCSCtH - L5: Cs-(Cds-Cd)CtSsH - L6: Cs-(Cds-Cds)CtSsH // C-SCdCtH - L6: Cs-(Cds-Cdd)CtSsH - L7: Cs-(Cds-Cdd-Sd)CtSsH // C-SCkCtH - L7: Cs-(Cds-Cdd-Cd)CtSsH // C-S(Cd-Ca)CtH - L4: Cs-CtCtSsH - L4: Cs-CbCsSsH - L4: Cs-CbCdsSsH - L5: Cs-C=SCbSsH // C-SCSCbH - L5: Cs-(Cds-Cd)CbSsH - L6: Cs-(Cds-Cds)CbSsH // C-SCdCbH - L6: Cs-(Cds-Cdd)CbSsH - L7: Cs-(Cds-Cdd-Sd)CbSsH // C-SCkCbH - L7: Cs-(Cds-Cdd-Cd)CbSsH // C-S(Cd-Ca)CbH - L4: Cs-CbCtSsH - L4: Cs-CbCbSsH - - L3: Cs-CSsHH - L4: Cs-CsSsHH - L4: Cs-CdsSsHH - L5: Cs-C=SSsHH // C-SCSHH - L5: Cs-(Cds-Cd)SsHH - L6: Cs-(Cds-Cds)SsHH // C-SCdHH - L6: Cs-(Cds-Cdd)SsHH - L7: Cs-(Cds-Cdd-Sd)SsHH // C-SCkHH - L7: Cs-(Cds-Cdd-Cd)SsHH // C-S(Cd-Ca)HH - L4: Cs-CtSsHH - L4: Cs-CbSsHH - -////////////////////////////////////////////////////////////////// -// Oxygen Tree -// Joanna Yu -// Oct. 18, 2002 -////////////////////////////////////////////////////////////////// - -////////////////////////////////////////////////////////////////// -//Thermo Tree & Nomenclature for groups with O as the central atom -// -//O Carbon atom, bonds are still not defined -//Os Oxygen atom with two single bonds -//Od Oxygen atom with one double bond -//C Carbon atom, bonds are still not defined -//Ct Carbon atom with one triple bond and one single bond -//Cdd Carbon atom with two double bonds -//Cds Carbon atom with one double bond and two single bonds -//Cs Carbon atom with four single bonds -//Cd Carbon atom with one double bond and the rest not defined -//Cb Carbon atom belonging to a benzene ring -//CO Non central carbon atom bonded with a double bond to a non central O -//H Hydrogen atom -////////////////////////////////////////////////////////////////// - -L1: O - L2: Od - L3: Od-Cd // This group is not defined here. C is central atom, go to carbon tree - L3: Od-Od - - L2: Os - L3: Os-HH - L3: Os-OsH - L3: Os-OsOs - L3: Os-CH - L4: Os-CtH - L4: Os-CdsH - L5: Os-(Cds-Od)H // O-COH - L5: Os-(Cds-Cd)H // O-CdH - L4: Os-CsH - L4: Os-CbH - L3: Os-OsC - L4: Os-OsCt - L4: Os-OsCds - L5: Os-Os(Cds-Od) // O-OCO - L5: Os-Os(Cds-Cd) // O-OCd - L4: Os-OsCs - L4: Os-OsCb - L3: Os-CC - L4: Os-CtCt - L4: Os-CtCds - L5: Os-Ct(Cds-Od) // O-CtCO - L5: Os-Ct(Cds-Cd) // O-CtCd - L4: Os-CtCs - L4: Os-CtCb - L4: Os-CdsCds - L5: Os-(Cds-Od)(Cds-Od) // O-COCO - L5: Os-(Cds-Od)(Cds-Cd) // O-COCd - L5: Os-(Cds-Cd)(Cds-Cd) // O-CdCd - L4: Os-CdsCs - L5: Os-Cs(Cds-Od) // O-CsCO - L5: Os-Cs(Cds-Cd) // O-CsCd - L4: Os-CdsCb - L5: Os-Cb(Cds-Od) // O-CbCO - L5: Os-Cb(Cds-Cd) // O-CbCd - L4: Os-CsCs - L4: Os-CsCb - L4: Os-CbCb - -////////////////////////////////////////////////////////////////// -// Sulfur Tree -// Aäron Vandeputte -// July 31th, 2009 -////////////////////////////////////////////////////////////////// - -////////////////////////////////////////////////////////////////// -//Thermo Tree & Nomenclature for groups with O as the central atom -// -//S Carbon atom, bonds are still not defined -//Ss Oxygen atom with two single bonds -//Sd Oxygen atom with one double bond -//C Carbon atom, bonds are still not defined -//Cs Carbon atom with four single bonds -//Cd Carbon atom with one double bond and the rest not defined -//Cds Carbon atom with one double bond and two single bonds -//Cdd Carbon atom with two double bonds -//Ct Carbon atom with one triple bond and one single bond -//Cb Carbon atom belonging to a benzene ring -//CS Non central carbon atom bonded with a double bond to a non central S -//H Hydrogen atom -////////////////////////////////////////////////////////////////// - -L1: S - L2: Sd - L3: Sd-Cd // This group is not defined here. C is central atom, go to carbon tree - L3: Sd-Sd - - L2: Ss - L3: Ss-HH - L3: Ss-CH - L4: Ss-CsH - L4: Ss-CdH - L5: Ss-C=SH - L4: Ss-CtH - L4: Ss-CbH - L3: Ss-SsH - L3: Ss-SsSs - L3: Ss-SsC - L4: Ss-SsCs - L4: Ss-SsCd - L5: Ss-C=SSs - L4: Ss-SsCt - L4: Ss-SsCb - L3: Ss-CC - L4: Ss-CsCs - L4: Ss-CsCd - L5: Ss-C=SCs - L4: Ss-CsCt - L4: Ss-CsCb - L4: Ss-CdCd - L5: Ss-C=SCd - L6: Ss-C=SC=S - L4: Ss-CdCt - L5: Ss-C=SCt - L4: Ss-CdCb - L5: Ss-C=SCb - L4: Ss-CtCt - L4: Ss-CtCb - L4: Ss-CbCb \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/New_Thermo_Dictionary.txt b/output/RMG_database_sulfur/thermo_groups/New_Thermo_Dictionary.txt deleted file mode 100644 index b4ee0d0950..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/New_Thermo_Dictionary.txt +++ /dev/null @@ -1,14402 +0,0 @@ -R -1 * R 0 - - -G4 -1 * G4 0 - - -C -1 * C 0 - - -Ch -1 * Ch 0 - - -Chs -1 * Chs 0 - - -Css-CCCC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {1,S} - - -Css-ChChChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-ChsChsChsChs -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 Chs 0 {1,S} - - -Css-ChsChsChsChd -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 Chd 0 {1,S} - - -Css-ChsChsChs(Cds-ChRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 Ch 0 {5,D} -7 Rch 0 {5,S} - - -Css-ChsChsChs(Cds-ChdRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 Chd 0 {5,D} -7 Rch 0 {5,S} - - -Css-ChsChsChs(Cds-ChddRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 Chdd 0 {5,D} -7 Rch 0 {5,S} - - -Css-ChsChsChs(Cds-CxRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 Cx 0 {5,D} -7 Rch 0 {5,S} - - -Css-ChsChsChs(Cds-(Cx1)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 Cx1 0 {5,D} -7 Rch 0 {5,S} - - -Css-ChsChsChs(Cds-(CxO)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 CxO 0 {5,D} -7 Rch 0 {5,S} - - -Css-ChsChsChs(Cds-(CxdO)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 CxdO 0 {5,D} -7 Rch 0 {5,S} - - -Css-ChsChsChs(Cds-(CxddO)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 CxddO 0 {5,D} -7 Rch 0 {5,S} - - -Css-ChsChsChs(Cds-(Cdd-O)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 C 0 {5,D} {8,D} -7 Rch 0 {5,S} -8 O 0 {6,D} - - -Css-ChsChsChs(Cds-(Cx2+)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 Cx2+ 0 {5,D} -7 Rch 0 {5,S} - - -Css-ChsChsChsChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 Chb 0 {1,S} - - -Css-ChsChsChsCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 Cht 0 {1,S} - - -Css-ChsChsChdChd -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chd 0 {1,S} -5 Chd 0 {1,S} - - -Css-ChsChs(Cds-ChRch)(Cds-ChRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 Ch 0 {4,D} -7 Rch 0 {4,S} -8 Ch 0 {5,D} -9 Rch 0 {5,S} - - -Css-ChsChs(Cds-ChdRch)(Cds-ChdRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 Chd 0 {4,D} -7 Rch 0 {4,S} -8 Chd 0 {5,D} -9 Rch 0 {5,S} - - -Css-ChsChs(Cds-ChddRch)(Cds-ChdRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 Chdd 0 {4,D} -7 Rch 0 {4,S} -8 Chd 0 {5,D} -9 Rch 0 {5,S} - - -Css-ChsChs(Cds-ChddRch)(Cds-ChddRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 Chdd 0 {4,D} -7 Rch 0 {4,S} -8 Chdd 0 {5,D} -9 Rch 0 {5,S} - - -Css-ChsChs(Cds-CxRch)(Cds-ChRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 Cx 0 {4,D} -7 Rch 0 {4,S} -8 Ch 0 {5,D} -9 Rch 0 {5,S} - - -Css-ChsChs(Cds-(Cx1)Rch)(Cds-ChRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 Cx1 0 {4,D} -7 Rch 0 {4,S} -8 Ch 0 {5,D} -9 Rch 0 {5,S} - - -Css-ChsChs(Cds-(CxO)Rch)(Cds-ChRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 CxO 0 {4,D} -7 Rch 0 {4,S} -8 Ch 0 {5,D} -9 Rch 0 {5,S} - - -Css-ChsChs(Cds-(CxdO)Rch)(Cds-ChRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 CxdO 0 {4,D} -7 Rch 0 {4,S} -8 Ch 0 {5,D} -9 Rch 0 {5,S} - - -Css-ChsChs(Cds-(CxddO)Rch)(Cds-ChRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 CxddO 0 {4,D} -7 Rch 0 {4,S} -8 Ch 0 {5,D} -9 Rch 0 {5,S} - - -Css-ChsChs(Cds-(Cdd-O)Rch)(Cds-ChRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 C 0 {4,D} {10,D} -7 Rch 0 {4,S} -8 Ch 0 {5,D} -9 Rch 0 {5,S} -10 O 0 {6,D} - - -Css-ChsChs(Cds-(Cx2+)Rch)(Cds-ChRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 Cx2+ 0 {4,D} -7 Rch 0 {4,S} -8 Ch 0 {5,D} -9 Rch 0 {5,S} - - -Css-ChsChs(Cds-CxRch)(Cds-CxRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 Cx 0 {4,D} -7 Rch 0 {4,S} -8 Cx 0 {5,D} -9 Rch 0 {5,S} - - -Css-ChsChs(Cds-(Cx1)Rch)(Cds-(Cx1)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 Cx1 0 {4,D} -7 Rch 0 {4,S} -8 Cx1 0 {5,D} -9 Rch 0 {5,S} - - -Css-ChsChs(Cds-(CxO)Rch)(Cds-(CxO)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 CxO 0 {4,D} -7 Rch 0 {4,S} -8 CxO 0 {5,D} -9 Rch 0 {5,S} - - -Css-ChsChs(Cds-(CxdO)Rch)(Cds-(CxdO)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 CxdO 0 {4,D} -7 Rch 0 {4,S} -8 CxdO 0 {5,D} -9 Rch 0 {5,S} - - -Css-ChsChs(Cds-(CxddO)Rch)(Cds-(CxdO)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 CxddO 0 {4,D} -7 Rch 0 {4,S} -8 CxdO 0 {5,D} -9 Rch 0 {5,S} - - -Css-ChsChs(Cds-(CxddO)Rch)(Cds-(CxddO)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 CxddO 0 {4,D} -7 Rch 0 {4,S} -8 CxddO 0 {5,D} -9 Rch 0 {5,S} - - -Css-ChsChs(Cds-(Cdd-O)Rch)(Cds-(Cdd-O)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 C 0 {4,D} {10,D} -7 Rch 0 {4,S} -8 C 0 {5,D} {11,D} -9 Rch 0 {5,S} -10 O 0 {6,D} -11 O 0 {8,D} - - -Css-ChsChs(Cds-(Cx2+)Rch)(Cds-(Cx1)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 Cx2+ 0 {4,D} -7 Rch 0 {4,S} -8 Cx1 0 {5,D} -9 Rch 0 {5,S} - - -Css-ChsChs(Cds-(Cx2+)Rch)(Cds-(Cx2+)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 Cx2+ 0 {4,D} -7 Rch 0 {4,S} -8 Cx2+ 0 {5,D} -9 Rch 0 {5,S} - - -Css-ChsChsChdChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chd 0 {1,S} -5 Chb 0 {1,S} - - -Css-ChsChs(Cds-ChRch)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,B} {9,B} -6 Ch 0 {4,D} -7 Rch 0 {4,S} -8 C 0 {5,B} -9 C 0 {5,B} - - -Css-ChsChs(Cds-ChdRch)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,B} {9,B} -6 Chd 0 {4,D} -7 Rch 0 {4,S} -8 C 0 {5,B} -9 C 0 {5,B} - - -Css-ChsChs(Cds-ChddRch)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,B} {9,B} -6 Chdd 0 {4,D} -7 Rch 0 {4,S} -8 C 0 {5,B} -9 C 0 {5,B} - - -Css-ChsChs(Cds-CxRch)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,B} {9,B} -6 Cx 0 {4,D} -7 Rch 0 {4,S} -8 C 0 {5,B} -9 C 0 {5,B} - - -Css-ChsChsChdCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chd 0 {1,S} -5 Cht 0 {1,S} - - -Css-ChsChs(Cds-ChRch)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,T} -6 Ch 0 {4,D} -7 Rch 0 {4,S} -8 C 0 {5,T} - - -Css-ChsChs(Cds-ChdRch)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,T} -6 Chd 0 {4,D} -7 Rch 0 {4,S} -8 C 0 {5,T} - - -Css-ChsChs(Cds-ChddRch)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,T} -6 Chdd 0 {4,D} -7 Rch 0 {4,S} -8 C 0 {5,T} - - -Css-ChsChs(Cds-CxRch)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,T} -6 Cx 0 {4,D} -7 Rch 0 {4,S} -8 C 0 {5,T} - - -Css-ChsChsChbChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chb 0 {1,S} -5 Chb 0 {1,S} - - -Css-ChsChsChbCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chb 0 {1,S} -5 Cht 0 {1,S} - - -Css-ChsChsChtCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Cht 0 {1,S} -5 Cht 0 {1,S} - - -Css-ChsChdChdChd -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chd 0 {1,S} -4 Chd 0 {1,S} -5 Chd 0 {1,S} - - -Css-Chs(Cds-ChRch)(Cds-ChRch)(Cds-ChRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 C 0 {1,S} {10,D} {11,S} -6 Ch 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} -10 Ch 0 {5,D} -11 Rch 0 {5,S} - - -Css-Chs(Cds-ChdRch)(Cds-ChdRch)(Cds-ChdRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 C 0 {1,S} {10,D} {11,S} -6 Chd 0 {3,D} -7 Rch 0 {3,S} -8 Chd 0 {4,D} -9 Rch 0 {4,S} -10 Chd 0 {5,D} -11 Rch 0 {5,S} - - -Css-Chs(Cds-ChddRch)(Cds-ChdRch)(Cds-ChdRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 C 0 {1,S} {10,D} {11,S} -6 Chdd 0 {3,D} -7 Rch 0 {3,S} -8 Chd 0 {4,D} -9 Rch 0 {4,S} -10 Chd 0 {5,D} -11 Rch 0 {5,S} - - -Css-Chs(Cds-ChddRch)(Cds-ChddRch)(Cds-ChdRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 C 0 {1,S} {10,D} {11,S} -6 Chdd 0 {3,D} -7 Rch 0 {3,S} -8 Chdd 0 {4,D} -9 Rch 0 {4,S} -10 Chd 0 {5,D} -11 Rch 0 {5,S} - - -Css-Chs(Cds-ChddRch)(Cds-ChddRch)(Cds-ChddRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 C 0 {1,S} {10,D} {11,S} -6 Chdd 0 {3,D} -7 Rch 0 {3,S} -8 Chdd 0 {4,D} -9 Rch 0 {4,S} -10 Chdd 0 {5,D} -11 Rch 0 {5,S} - - -Css-Chs(Cds-CxRch)(Cds-ChRch)(Cds-ChRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 C 0 {1,S} {10,D} {11,S} -6 Cx 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} -10 Ch 0 {5,D} -11 Rch 0 {5,S} - - -Css-Chs(Cds-CxRch)(Cds-CxRch)(Cds-ChRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 C 0 {1,S} {10,D} {11,S} -6 Cx 0 {3,D} -7 Rch 0 {3,S} -8 Cx 0 {4,D} -9 Rch 0 {4,S} -10 Ch 0 {5,D} -11 Rch 0 {5,S} - - -Css-Chs(Cds-CxRch)(Cds-CxRch)(Cds-CxRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 C 0 {1,S} {10,D} {11,S} -6 Cx 0 {3,D} -7 Rch 0 {3,S} -8 Cx 0 {4,D} -9 Rch 0 {4,S} -10 Cx 0 {5,D} -11 Rch 0 {5,S} - - -Css-ChsChdChdChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chd 0 {1,S} -4 Chd 0 {1,S} -5 Chb 0 {1,S} - - -Css-Chs(Cds-ChRch)(Cds-ChRch)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 C 0 {1,S} {10,B} {11,B} -6 Ch 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} -10 C 0 {5,B} -11 C 0 {5,B} - - -Css-Chs(Cds-CxRch)(Cds-ChRch)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 C 0 {1,S} {10,B} {11,B} -6 Cx 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} -10 C 0 {5,B} -11 C 0 {5,B} - - -Css-Chs(Cds-CxRch)(Cds-CxRch)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 C 0 {1,S} {10,B} {11,B} -6 Cx 0 {3,D} -7 Rch 0 {3,S} -8 Cx 0 {4,D} -9 Rch 0 {4,S} -10 C 0 {5,B} -11 C 0 {5,B} - - -Css-ChsChdChdCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chd 0 {1,S} -4 Chd 0 {1,S} -5 Cht 0 {1,S} - - -Css-Chs(Cds-ChRch)(Cds-ChRch)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 C 0 {1,S} {10,T} -6 Ch 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} -10 C 0 {5,T} - - -Css-Chs(Cds-CxRch)(Cds-ChRch)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 C 0 {1,S} {10,T} -6 Cx 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} -10 C 0 {5,T} - - -Css-Chs(Cds-CxRch)(Cds-CxRch)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 C 0 {1,S} {10,T} -6 Cx 0 {3,D} -7 Rch 0 {3,S} -8 Cx 0 {4,D} -9 Rch 0 {4,S} -10 C 0 {5,T} - - -Css-ChsChdChbChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chd 0 {1,S} -4 Chb 0 {1,S} -5 Chb 0 {1,S} - - -Css-Chs(Cds-ChRch)(Cb-CC)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,B} {9,B} -5 C 0 {1,S} {10,B} {11,B} -6 Ch 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,B} -9 C 0 {4,B} -10 C 0 {5,B} -11 C 0 {5,B} - - -Css-Chs(Cds-ChdRch)(Cb-CC)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,B} {9,B} -5 C 0 {1,S} {10,B} {11,B} -6 Chd 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,B} -9 C 0 {4,B} -10 C 0 {5,B} -11 C 0 {5,B} - - -Css-Chs(Cds-ChddRch)(Cb-CC)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,B} {9,B} -5 C 0 {1,S} {10,B} {11,B} -6 Chdd 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,B} -9 C 0 {4,B} -10 C 0 {5,B} -11 C 0 {5,B} - - -Css-Chs(Cds-CxRch)(Cb-CC)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,B} {9,B} -5 C 0 {1,S} {10,B} {11,B} -6 Cx 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,B} -9 C 0 {4,B} -10 C 0 {5,B} -11 C 0 {5,B} - - -Css-ChsChdChbCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chd 0 {1,S} -4 Chb 0 {1,S} -5 Cht 0 {1,S} - - -Css-Chs(Cds-ChRch)(Cb-CC)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,B} {9,B} -5 C 0 {1,S} {10,T} -6 Ch 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,B} -9 C 0 {4,B} -10 C 0 {5,T} - - -Css-Chs(Cds-ChdRch)(Cb-CC)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,B} {9,B} -5 C 0 {1,S} {10,T} -6 Chd 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,B} -9 C 0 {4,B} -10 C 0 {5,T} - - -Css-Chs(Cds-ChddRch)(Cb-CC)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,B} {9,B} -5 C 0 {1,S} {10,T} -6 Chdd 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,B} -9 C 0 {4,B} -10 C 0 {5,T} - - -Css-Chs(Cds-(Cdd-Ch)Rch)(Cb-CC)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,B} {9,B} -5 C 0 {1,S} {10,T} -6 C 0 {3,D} {11,D} -7 Rch 0 {3,S} -8 C 0 {4,B} -9 C 0 {4,B} -10 C 0 {5,T} -11 Ch 0 {6,D} - - -Css-Chs(Cds-(Cdd-Cx)Rch)(Cb-CC)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,B} {9,B} -5 C 0 {1,S} {10,T} -6 C 0 {3,D} {11,D} -7 Rch 0 {3,S} -8 C 0 {4,B} -9 C 0 {4,B} -10 C 0 {5,T} -11 Cx 0 {6,D} - - -Css-Chs(Cds-CxRch)(Cb-CC)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,B} {9,B} -5 C 0 {1,S} {10,T} -6 Cx 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,B} -9 C 0 {4,B} -10 C 0 {5,T} - - -Css-ChsChdChtCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chd 0 {1,S} -4 Cht 0 {1,S} -5 Cht 0 {1,S} - - -Css-Chs(Cds-ChRch)(Ct-C)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,T} -5 C 0 {1,S} {9,T} -6 Ch 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,T} -9 C 0 {5,T} - - -Css-Chs(Cds-ChdRch)(Ct-C)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,T} -5 C 0 {1,S} {9,T} -6 Chd 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,T} -9 C 0 {5,T} - - -Css-Chs(Cds-ChddRch)(Ct-C)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,T} -5 C 0 {1,S} {9,T} -6 Chdd 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,T} -9 C 0 {5,T} - - -Css-Chs(Cds-CxRch)(Ct-C)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,T} -5 C 0 {1,S} {9,T} -6 Cx 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,T} -9 C 0 {5,T} - - -Css-ChsChbChbChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chb 0 {1,S} -4 Chb 0 {1,S} -5 Chb 0 {1,S} - - -Css-ChsChbChbCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chb 0 {1,S} -4 Chb 0 {1,S} -5 Cht 0 {1,S} - - -Css-ChsChbChtCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chb 0 {1,S} -4 Cht 0 {1,S} -5 Cht 0 {1,S} - - -Css-ChsChtChtCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Cht 0 {1,S} -4 Cht 0 {1,S} -5 Cht 0 {1,S} - - -Css-ChdChdChdChd -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Chd 0 {1,S} -4 Chd 0 {1,S} -5 Chd 0 {1,S} - - -Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(Cds-ChRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 C 0 {1,S} {12,D} {13,S} -6 Ch 0 {2,D} -7 Rch 0 {2,S} -8 Ch 0 {3,D} -9 Rch 0 {3,S} -10 Ch 0 {4,D} -11 Rch 0 {4,S} -12 Ch 0 {5,D} -13 Rch 0 {5,S} - - -Css-(Cds-CxRch)(Cds-ChRch)(Cds-ChRch)(Cds-ChRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 C 0 {1,S} {12,D} {13,S} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Ch 0 {3,D} -9 Rch 0 {3,S} -10 Ch 0 {4,D} -11 Rch 0 {4,S} -12 Ch 0 {5,D} -13 Rch 0 {5,S} - - -Css-(Cds-CxRch)(Cds-CxRch)(Cds-ChRch)(Cds-ChRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 C 0 {1,S} {12,D} {13,S} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Cx 0 {3,D} -9 Rch 0 {3,S} -10 Ch 0 {4,D} -11 Rch 0 {4,S} -12 Ch 0 {5,D} -13 Rch 0 {5,S} - - -Css-(Cds-CxRch)(Cds-CxRch)(Cds-CxRch)(Cds-ChRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 C 0 {1,S} {12,D} {13,S} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Cx 0 {3,D} -9 Rch 0 {3,S} -10 Cx 0 {4,D} -11 Rch 0 {4,S} -12 Ch 0 {5,D} -13 Rch 0 {5,S} - - -Css-(Cds-CxRch)(Cds-CxRch)(Cds-CxRch)(Cds-CxRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 C 0 {1,S} {12,D} {13,S} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Cx 0 {3,D} -9 Rch 0 {3,S} -10 Cx 0 {4,D} -11 Rch 0 {4,S} -12 Cx 0 {5,D} -13 Rch 0 {5,S} - - -Css-ChdChdChdChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Chd 0 {1,S} -4 Chd 0 {1,S} -5 Chb 0 {1,S} - - -Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 C 0 {1,S} {12,B} {13,B} -6 Ch 0 {2,D} -7 Rch 0 {2,S} -8 Ch 0 {3,D} -9 Rch 0 {3,S} -10 Ch 0 {4,D} -11 Rch 0 {4,S} -12 C 0 {5,B} -13 C 0 {5,B} - - -Css-(Cds-CxRch)(Cds-ChRch)(Cds-ChRch)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 C 0 {1,S} {12,B} {13,B} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Ch 0 {3,D} -9 Rch 0 {3,S} -10 Ch 0 {4,D} -11 Rch 0 {4,S} -12 C 0 {5,B} -13 C 0 {5,B} - - -Css-(Cds-CxRch)(Cds-CxRch)(Cds-ChRch)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 C 0 {1,S} {12,B} {13,B} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Cx 0 {3,D} -9 Rch 0 {3,S} -10 Ch 0 {4,D} -11 Rch 0 {4,S} -12 C 0 {5,B} -13 C 0 {5,B} - - -Css-(Cds-CxRch)(Cds-CxRch)(Cds-CxRch)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 C 0 {1,S} {12,B} {13,B} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Cx 0 {3,D} -9 Rch 0 {3,S} -10 Cx 0 {4,D} -11 Rch 0 {4,S} -12 C 0 {5,B} -13 C 0 {5,B} - - -Css-ChdChdChdCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Chd 0 {1,S} -4 Chd 0 {1,S} -5 Cht 0 {1,S} - - -Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 C 0 {1,S} {12,T} -6 Ch 0 {2,D} -7 Rch 0 {2,S} -8 Ch 0 {3,D} -9 Rch 0 {3,S} -10 Ch 0 {4,D} -11 Rch 0 {4,S} -12 C 0 {5,T} - - -Css-(Cds-CxRch)(Cds-ChRch)(Cds-ChRch)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 C 0 {1,S} {12,T} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Ch 0 {3,D} -9 Rch 0 {3,S} -10 Ch 0 {4,D} -11 Rch 0 {4,S} -12 C 0 {5,T} - - -Css-(Cds-CxRch)(Cds-CxRch)(Cds-ChRch)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 C 0 {1,S} {12,T} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Cx 0 {3,D} -9 Rch 0 {3,S} -10 Ch 0 {4,D} -11 Rch 0 {4,S} -12 C 0 {5,T} - - -Css-(Cds-CxRch)(Cds-CxRch)(Cds-CxRch)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 C 0 {1,S} {12,T} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Cx 0 {3,D} -9 Rch 0 {3,S} -10 Cx 0 {4,D} -11 Rch 0 {4,S} -12 C 0 {5,T} - - -Css-ChdChdChbChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Chd 0 {1,S} -4 Chb 0 {1,S} -5 Chb 0 {1,S} - - -Css-(Cds-ChRch)(Cds-ChRch)(Cb-CC)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,B} {11,B} -5 C 0 {1,S} {12,B} {13,B} -6 Ch 0 {2,D} -7 Rch 0 {2,S} -8 Ch 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,B} -11 C 0 {4,B} -12 C 0 {5,B} -13 C 0 {5,B} - - -Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,B} {11,B} -5 C 0 {1,S} {12,B} {13,B} -6 Chd 0 {2,D} -7 Rch 0 {2,S} -8 Chd 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,B} -11 C 0 {4,B} -12 C 0 {5,B} -13 C 0 {5,B} - - -Css-(Cds-ChddRch)(Cds-ChdRch)(Cb-CC)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,B} {11,B} -5 C 0 {1,S} {12,B} {13,B} -6 Chdd 0 {2,D} -7 Rch 0 {2,S} -8 Chd 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,B} -11 C 0 {4,B} -12 C 0 {5,B} -13 C 0 {5,B} - - -Css-(Cds-ChddRch)(Cds-ChddRch)(Cb-CC)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,B} {11,B} -5 C 0 {1,S} {12,B} {13,B} -6 Chdd 0 {2,D} -7 Rch 0 {2,S} -8 Chdd 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,B} -11 C 0 {4,B} -12 C 0 {5,B} -13 C 0 {5,B} - - -Css-(Cds-CxRch)(Cds-ChRch)(Cb-CC)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,B} {11,B} -5 C 0 {1,S} {12,B} {13,B} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Ch 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,B} -11 C 0 {4,B} -12 C 0 {5,B} -13 C 0 {5,B} - - -Css-(Cds-CxRch)(Cds-CxRch)(Cb-CC)(Cb-CC) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,B} {11,B} -5 C 0 {1,S} {12,B} {13,B} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Cx 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,B} -11 C 0 {4,B} -12 C 0 {5,B} -13 C 0 {5,B} - - -Css-ChdChdChbCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Chd 0 {1,S} -4 Chb 0 {1,S} -5 Cht 0 {1,S} - - -Css-(Cds-ChRch)(Cds-ChRch)(Cb-CC)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,B} {11,B} -5 C 0 {1,S} {12,T} -6 Ch 0 {2,D} -7 Rch 0 {2,S} -8 Ch 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,B} -11 C 0 {4,B} -12 C 0 {5,T} - - -Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,B} {11,B} -5 C 0 {1,S} {12,T} -6 Chd 0 {2,D} -7 Rch 0 {2,S} -8 Chd 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,B} -11 C 0 {4,B} -12 C 0 {5,T} - - -Css-(Cds-ChddRch)(Cds-ChdRch)(Cb-CC)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,B} {11,B} -5 C 0 {1,S} {12,T} -6 Chdd 0 {2,D} -7 Rch 0 {2,S} -8 Chd 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,B} -11 C 0 {4,B} -12 C 0 {5,T} - - -Css-(Cds-ChddRch)(Cds-ChddRch)(Cb-CC)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,B} {11,B} -5 C 0 {1,S} {12,T} -6 Chdd 0 {2,D} -7 Rch 0 {2,S} -8 Chdd 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,B} -11 C 0 {4,B} -12 C 0 {5,T} - - -Css-(Cds-CxRch)(Cds-ChRch)(Cb-CC)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,B} {11,B} -5 C 0 {1,S} {12,T} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Ch 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,B} -11 C 0 {4,B} -12 C 0 {5,T} - - -Css-(Cds-CxRch)(Cds-CxRch)(Cb-CC)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,B} {11,B} -5 C 0 {1,S} {12,T} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Cx 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,B} -11 C 0 {4,B} -12 C 0 {5,T} - - -Css-ChdChdChtCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Chd 0 {1,S} -4 Cht 0 {1,S} -5 Cht 0 {1,S} - - -Css-(Cds-ChRch)(Cds-ChRch)(Ct-C)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,T} -5 C 0 {1,S} {11,T} -6 Ch 0 {2,D} -7 Rch 0 {2,S} -8 Ch 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,T} -11 C 0 {5,T} - - -Css-(Cds-ChdRch)(Cds-ChdRch)(Ct-C)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,T} -5 C 0 {1,S} {11,T} -6 Chd 0 {2,D} -7 Rch 0 {2,S} -8 Chd 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,T} -11 C 0 {5,T} - - -Css-(Cds-ChddRch)(Cds-ChdRch)(Ct-C)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,T} -5 C 0 {1,S} {11,T} -6 Chdd 0 {2,D} -7 Rch 0 {2,S} -8 Chd 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,T} -11 C 0 {5,T} - - -Css-(Cds-ChddRch)(Cds-ChddRch)(Ct-C)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,T} -5 C 0 {1,S} {11,T} -6 Chdd 0 {2,D} -7 Rch 0 {2,S} -8 Chdd 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,T} -11 C 0 {5,T} - - -Css-(Cds-CxRch)(Cds-ChRch)(Ct-C)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,T} -5 C 0 {1,S} {11,T} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Ch 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,T} -11 C 0 {5,T} - - -Css-(Cds-CxRch)(Cds-CxRch)(Ct-C)(Ct-C) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,T} -5 C 0 {1,S} {11,T} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Cx 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,T} -11 C 0 {5,T} - - -Css-ChdChbChbChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Chb 0 {1,S} -4 Chb 0 {1,S} -5 Chb 0 {1,S} - - -Css-ChdChbChbCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Chb 0 {1,S} -4 Chb 0 {1,S} -5 Cht 0 {1,S} - - -Css-ChdChbChtCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Chb 0 {1,S} -4 Cht 0 {1,S} -5 Cht 0 {1,S} - - -Css-ChdChtChtCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Cht 0 {1,S} -4 Cht 0 {1,S} -5 Cht 0 {1,S} - - -Css-ChbChbChbChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chb 0 {1,S} -3 Chb 0 {1,S} -4 Chb 0 {1,S} -5 Chb 0 {1,S} - - -Css-ChbChbChbCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chb 0 {1,S} -3 Chb 0 {1,S} -4 Chb 0 {1,S} -5 Cht 0 {1,S} - - -Css-ChbChbChtCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chb 0 {1,S} -3 Chb 0 {1,S} -4 Cht 0 {1,S} -5 Cht 0 {1,S} - - -Css-ChbChtChtCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chb 0 {1,S} -3 Cht 0 {1,S} -4 Cht 0 {1,S} -5 Cht 0 {1,S} - - -Css-ChtChtChtCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cht 0 {1,S} -3 Cht 0 {1,S} -4 Cht 0 {1,S} -5 Cht 0 {1,S} - - -Css-ChChChCx -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 Cx 0 {1,S} - - -Css-ChChCh(Cx1) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 Cx1 0 {1,S} - - -Css-ChChCh(CxG4) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 CxG4 0 {1,S} - - -Css-ChChCh(Cx!G4) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 Cx!G4 0 {1,S} - - -Css-ChChCh(CxG5) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 CxG5 0 {1,S} - - -Css-ChChCh(CxN) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 CxN 0 {1,S} - - -Css-ChChCh(CxsN) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 CxsN 0 {1,S} - - -Css-ChChCh(CxdN) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 CxdN 0 {1,S} - - -Css-ChChCh(Ct-N) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 C 0 {1,S} {6,T} -6 N 0 {5,T} - - -Css-ChChCh(CxbN) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 CxbN 0 {1,S} - - -Css-ChChCh(Cx!N) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 Cx!N 0 {1,S} - - -Css-ChChCh(Cx!G4G5) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 Cx!G4G5 0 {1,S} - - -Css-ChChCh(CxG6) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 CxG6 0 {1,S} - - -Css-ChChCh(CxO) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 CxO 0 {1,S} - - -Css-ChChCh(CxsO) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 CxsO 0 {1,S} - - -Css-ChChCh(CxdO) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 CxdO 0 {1,S} - - -Css-ChChCh(Cds-ORch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 O 0 {5,D} -7 Rch 0 {5,S} - - -Css-ChsChsChs(Cds-ORch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 O 0 {5,D} -7 Rch 0 {5,S} - - -Css-ChsChsChb(Cds-ORch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chb 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 O 0 {5,D} -7 Rch 0 {5,S} - - -Css-ChChCh(Cds-CO) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 C 0 {5,D} -7 O 0 {5,S} - - -Css-ChChCh(CxbO) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 CxbO 0 {1,S} - - -Css-ChChCh(Cx!O) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 Cx!O 0 {1,S} - - -Css-ChChCh(Cx!G4G5G6) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 Cx!G4G5G6 0 {1,S} - - -Css-ChChCh(Cx2+) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 Cx2+ 0 {1,S} - - -Css-ChChCxCx -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Cx 0 {1,S} -5 Cx 0 {1,S} - - -Css-ChCxCxCx -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Cx 0 {1,S} -4 Cx 0 {1,S} -5 Cx 0 {1,S} - - -Css-CxCxCxCx -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cx 0 {1,S} -3 Cx 0 {1,S} -4 Cx 0 {1,S} -5 Cx 0 {1,S} - - - - - - - - - - -Css-CCCH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 H 0 {1,S} - - -Css-ChChChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-ChsChsChsH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 H 0 {1,S} - - -Css-ChsChsChdH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chd 0 {1,S} -5 H 0 {1,S} - - -Css-ChsChs(Cds-ChRch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 Ch 0 {4,D} -7 Rch 0 {4,S} - - -Css-ChsChs(Cds-ChdRch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 Chd 0 {4,D} -7 Rch 0 {4,S} - - -Css-ChsChs(Cds-ChddRch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 Chdd 0 {4,D} -7 Rch 0 {4,S} - - -Css-ChsChs(Cds-CxRch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 Cx 0 {4,D} -7 Rch 0 {4,S} - - -Css-ChsChs(Cds-(Cx1)Rch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 Cx1 0 {4,D} -7 Rch 0 {4,S} - - -Css-ChsChs(Cds-(CxO)Rch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 CxO 0 {4,D} -7 Rch 0 {4,S} - - -Css-ChsChs(Cds-(CxdO)Rch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 CxdO 0 {4,D} -7 Rch 0 {4,S} - - -Css-ChsChs(Cds-(CxddO)Rch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 CxddO 0 {4,D} -7 Rch 0 {4,S} - - -Css-ChsChs(Cds-(Cdd-O)Rch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 C 0 {4,D} {8,D} -7 Rch 0 {4,S} -8 O 0 {6,D} - - -Css-ChsChs(Cds-(Cx2+)Rch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 Cx2+ 0 {4,D} -7 Rch 0 {4,S} - - -Css-ChsChsChbH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Chb 0 {1,S} -5 H 0 {1,S} - - -Css-ChsChsChtH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 Cht 0 {1,S} -5 H 0 {1,S} - - -Css-ChsChdChdH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chd 0 {1,S} -4 Chd 0 {1,S} -5 H 0 {1,S} - - -Css-(Chs)(Cds-ChRch)(Cds-ChRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Ch 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-ChdRch)(Cds-ChdRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Chd 0 {3,D} -7 Rch 0 {3,S} -8 Chd 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-ChddRch)(Cds-ChdRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Chdd 0 {3,D} -7 Rch 0 {3,S} -8 Chd 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-ChddRch)(Cds-ChddRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Chdd 0 {3,D} -7 Rch 0 {3,S} -8 Chdd 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-CxRch)(Cds-ChRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Cx 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-(Cx1)Rch)(Cds-ChRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Cx1 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-(CxG4)Rch)(Cds-ChRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 CxG4 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-(Cx!G4)Rch)(Cds-ChRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Cx!G4 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-(CxG5)Rch)(Cds-ChRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 CxG5 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-(Cx!G4G5)Rch)(Cds-ChRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Cx!G4G5 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-(CxG6)Rch)(Cds-ChRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 CxG6 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-(CxO)Rch)(Cds-ChRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 CxO 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-(CxdO)Rch)(Cds-ChRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 CxdO 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-(CxddO)Rch)(Cds-ChRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 CxddO 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-(Cdd-O)Rch)(Cds-ChdRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 C 0 {3,D} {10,D} -7 Rch 0 {3,S} -8 Chd 0 {4,D} -9 Rch 0 {4,S} -10 O 0 {6,D} - - -Css-(Chs)(Cds-(Cdd-O)Rch)(Cds-ChddRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 C 0 {3,D} {10,D} -7 Rch 0 {3,S} -8 Chdd 0 {4,D} -9 Rch 0 {4,S} -10 O 0 {6,D} - - -Css-(Chs)(Cds-(Cx!O)Rch)(Cds-ChRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Cx!O 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-(Cx!G4G5G6)Rch)(Cds-ChRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Cx!G4G5G6 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-(Cx2+)Rch)(Cds-ChRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Cx2+ 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-CxRch)(Cds-CxRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Cx 0 {3,D} -7 Rch 0 {3,S} -8 Cx 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-(Cx1)Rch)(Cds-(Cx1)Rch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Cx1 0 {3,D} -7 Rch 0 {3,S} -8 Cx1 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-(CxO)Rch)(Cds-(CxO)Rch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 CxO 0 {3,D} -7 Rch 0 {3,S} -8 CxO 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-(CxdO)Rch)(Cds-(CxdO)Rch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 CxdO 0 {3,D} -7 Rch 0 {3,S} -8 CxdO 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-(CxddO)Rch)(Cds-(CxdO)Rch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 CxddO 0 {3,D} -7 Rch 0 {3,S} -8 CxdO 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-(CxddO)Rch)(Cds-(CxddO)Rch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 CxddO 0 {3,D} -7 Rch 0 {3,S} -8 CxddO 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-(Cdd-O)Rch)(Cds-(Cdd-O)Rch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 C 0 {3,D} {10,D} -7 Rch 0 {3,S} -8 C 0 {4,D} {11,D} -9 Rch 0 {4,S} -10 O 0 {6,D} -11 O 0 {8,D} - - -Css-(Chs)(Cds-(Cx2+)Rch)(Cds-(Cx1)Rch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Cx2+ 0 {3,D} -7 Rch 0 {3,S} -8 Cx1 0 {4,D} -9 Rch 0 {4,S} - - -Css-(Chs)(Cds-(Cx2+)Rch)(Cds-(Cx2+)Rch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Cx2+ 0 {3,D} -7 Rch 0 {3,S} -8 Cx2+ 0 {4,D} -9 Rch 0 {4,S} - - -Css-ChsChdChbH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chd 0 {1,S} -4 Chb 0 {1,S} -5 H 0 {1,S} - - -Css-(Chs)(Cds-ChRch)(Cb-CC)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,B} {9,B} -5 H 0 {1,S} -6 Ch 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,B} -9 C 0 {4,B} - - -Css-(Chs)(Cds-ChdRch)(Cb-CC)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,B} {9,B} -5 H 0 {1,S} -6 Chd 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,B} -9 C 0 {4,B} - - -Css-(Chs)(Cds-ChddRch)(Cb-CC)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,B} {9,B} -5 H 0 {1,S} -6 Chdd 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,B} -9 C 0 {4,B} - - -Css-(Chs)(Cds-CxRch)(Cb-CC)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,B} {9,B} -5 H 0 {1,S} -6 Cx 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,B} -9 C 0 {4,B} - - -Css-ChsChdChtH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chd 0 {1,S} -4 Cht 0 {1,S} -5 H 0 {1,S} - - -Css-(Chs)(Cds-ChRch)(Ct-C)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,T} -5 H 0 {1,S} -6 Ch 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,T} - - -Css-(Chs)(Cds-ChdRch)(Ct-C)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,T} -5 H 0 {1,S} -6 Chd 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,T} - - -Css-(Chs)(Cds-ChddRch)(Ct-C)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,T} -5 H 0 {1,S} -6 Chdd 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,T} - - -Css-(Chs)(Cds-CxRch)(Ct-C)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,T} -5 H 0 {1,S} -6 Cx 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,T} - - -Css-ChsChbChbH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chb 0 {1,S} -4 Chb 0 {1,S} -5 H 0 {1,S} - - -Css-ChsChbChtH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chb 0 {1,S} -4 Cht 0 {1,S} -5 H 0 {1,S} - - -Css-ChsChtChtH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Cht 0 {1,S} -4 Cht 0 {1,S} -5 H 0 {1,S} - - -Css-ChdChdChdH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Chd 0 {1,S} -4 Chd 0 {1,S} -5 H 0 {1,S} - - -Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 H 0 {1,S} -6 Ch 0 {2,D} -7 Rch 0 {2,S} -8 Ch 0 {3,D} -9 Rch 0 {3,S} -10 Ch 0 {4,D} -11 Rch 0 {4,S} - - -Css-(Cds-ChdRch)(Cds-ChdRch)(Cds-ChdRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 H 0 {1,S} -6 Chd 0 {2,D} -7 Rch 0 {2,S} -8 Chd 0 {3,D} -9 Rch 0 {3,S} -10 Chd 0 {4,D} -11 Rch 0 {4,S} - - -Css-(Cds-ChddRch)(Cds-ChdRch)(Cds-ChdRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 H 0 {1,S} -6 Chdd 0 {2,D} -7 Rch 0 {2,S} -8 Chd 0 {3,D} -9 Rch 0 {3,S} -10 Chd 0 {4,D} -11 Rch 0 {4,S} - - -Css-(Cds-ChddRch)(Cds-ChddRch)(Cds-ChdRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 H 0 {1,S} -6 Chdd 0 {2,D} -7 Rch 0 {2,S} -8 Chdd 0 {3,D} -9 Rch 0 {3,S} -10 Chd 0 {4,D} -11 Rch 0 {4,S} - - -Css-(Cds-ChddRch)(Cds-ChddRch)(Cds-ChddRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 H 0 {1,S} -6 Chdd 0 {2,D} -7 Rch 0 {2,S} -8 Chdd 0 {3,D} -9 Rch 0 {3,S} -10 Chdd 0 {4,D} -11 Rch 0 {4,S} - - -Css-(Cds-CxRch)(Cds-ChRch)(Cds-ChRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 H 0 {1,S} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Ch 0 {3,D} -9 Rch 0 {3,S} -10 Ch 0 {4,D} -11 Rch 0 {4,S} - - -Css-(Cds-CxRch)(Cds-CxRch)(Cds-ChRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 H 0 {1,S} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Cx 0 {3,D} -9 Rch 0 {3,S} -10 Ch 0 {4,D} -11 Rch 0 {4,S} - - -Css-(Cds-CxRch)(Cds-CxRch)(Cds-CxRch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,D} {11,S} -5 H 0 {1,S} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Cx 0 {3,D} -9 Rch 0 {3,S} -10 Cx 0 {4,D} -11 Rch 0 {4,S} - - -Css-ChdChdChbH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Chd 0 {1,S} -4 Chb 0 {1,S} -5 H 0 {1,S} - - -Css-(Cds-ChRch)(Cds-ChRch)(Cb-CC)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,B} {11,B} -5 H 0 {1,S} -6 Ch 0 {2,D} -7 Rch 0 {2,S} -8 Ch 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,B} -11 C 0 {4,B} - - -Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,B} {11,B} -5 H 0 {1,S} -6 Chd 0 {2,D} -7 Rch 0 {2,S} -8 Chd 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,B} -11 C 0 {4,B} - - -Css-(Cds-ChddRch)(Cds-ChdRch)(Cb-CC)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,B} {11,B} -5 H 0 {1,S} -6 Chdd 0 {2,D} -7 Rch 0 {2,S} -8 Chd 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,B} -11 C 0 {4,B} - - -Css-(Cds-ChddRch)(Cds-ChddRch)(Cb-CC)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,B} {11,B} -5 H 0 {1,S} -6 Chdd 0 {2,D} -7 Rch 0 {2,S} -8 Chdd 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,B} -11 C 0 {4,B} - - -Css-(Cds-CxRch)(Cds-ChRch)(Cb-CC)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,B} {11,B} -5 H 0 {1,S} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Ch 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,B} -11 C 0 {4,B} - - -Css-(Cds-CxRch)(Cds-CxRch)(Cb-CC)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,B} {11,B} -5 H 0 {1,S} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Cx 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,B} -11 C 0 {4,B} - - -Css-ChdChdChtH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Chd 0 {1,S} -4 Cht 0 {1,S} -5 H 0 {1,S} - - -Css-(Cds-ChRch)(Cds-ChRch)(Ct-C)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,T} -5 H 0 {1,S} -6 Ch 0 {2,D} -7 Rch 0 {2,S} -8 Ch 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,T} - - -Css-(Cds-ChdRch)(Cds-ChdRch)(Ct-C)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,T} -5 H 0 {1,S} -6 Chd 0 {2,D} -7 Rch 0 {2,S} -8 Chd 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,T} - - -Css-(Cds-ChddRch)(Cds-ChdRch)(Ct-C)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,T} -5 H 0 {1,S} -6 Chdd 0 {2,D} -7 Rch 0 {2,S} -8 Chd 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,T} - - -Css-(Cds-ChddRch)(Cds-ChddRch)(Ct-C)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,T} -5 H 0 {1,S} -6 Chdd 0 {2,D} -7 Rch 0 {2,S} -8 Chdd 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,T} - - -Css-(Cds-CxRch)(Cds-ChRch)(Ct-C)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,T} -5 H 0 {1,S} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Ch 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,T} - - -Css-(Cds-CxRch)(Cds-CxRch)(Ct-C)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 C 0 {1,S} {10,T} -5 H 0 {1,S} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Cx 0 {3,D} -9 Rch 0 {3,S} -10 C 0 {4,T} - - -Css-ChdChbChbH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Chb 0 {1,S} -4 Chb 0 {1,S} -5 H 0 {1,S} - - -Css-ChdChbChtH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Chb 0 {1,S} -4 Cht 0 {1,S} -5 H 0 {1,S} - - -Css-ChdChtChtH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Cht 0 {1,S} -4 Cht 0 {1,S} -5 H 0 {1,S} - - -Css-(Cds-ChRch)(Ct-C)(Ct-C)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,T} -4 C 0 {1,S} {9,T} -5 H 0 {1,S} -6 Ch 0 {2,D} -7 Rch 0 {2,S} -8 C 0 {3,T} -9 C 0 {4,T} - - -Css-(Cds-ChdRch)(Ct-C)(Ct-C)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,T} -4 C 0 {1,S} {9,T} -5 H 0 {1,S} -6 Chd 0 {2,D} -7 Rch 0 {2,S} -8 C 0 {3,T} -9 C 0 {4,T} - - -Css-(Cds-ChddRch)(Ct-C)(Ct-C)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,T} -4 C 0 {1,S} {9,T} -5 H 0 {1,S} -6 Chdd 0 {2,D} -7 Rch 0 {2,S} -8 C 0 {3,T} -9 C 0 {4,T} - - -Css-(Cds-CxRch)(Ct-C)(Ct-C)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,T} -4 C 0 {1,S} {9,T} -5 H 0 {1,S} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 C 0 {3,T} -9 C 0 {4,T} - - -Css-ChbChbChbH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chb 0 {1,S} -3 Chb 0 {1,S} -4 Chb 0 {1,S} -5 H 0 {1,S} - - -Css-ChbChbChtH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chb 0 {1,S} -3 Chb 0 {1,S} -4 Cht 0 {1,S} -5 H 0 {1,S} - - -Css-ChbChtChtH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chb 0 {1,S} -3 Cht 0 {1,S} -4 Cht 0 {1,S} -5 H 0 {1,S} - - -Css-ChtChtChtH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cht 0 {1,S} -3 Cht 0 {1,S} -4 Cht 0 {1,S} -5 H 0 {1,S} - - -Css-ChChCxH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Cx 0 {1,S} -5 H 0 {1,S} - - -Css-ChCh(Cx1)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Cx1 0 {1,S} -5 H 0 {1,S} - - -Css-ChCh(CxG4)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 CxG4 0 {1,S} -5 H 0 {1,S} - - -Css-ChCh(Cx!G4)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Cx!G4 0 {1,S} -5 H 0 {1,S} - - -Css-ChCh(CxG5)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 CxG5 0 {1,S} -5 H 0 {1,S} - - -Css-ChCh(CxN)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 CxN 0 {1,S} -5 H 0 {1,S} - - -Css-ChCh(CxsN)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 CxsN 0 {1,S} -5 H 0 {1,S} - - -Css-ChCh(CxdN)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 CxdN 0 {1,S} -5 H 0 {1,S} - - -Css-ChCh(Ct-N)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 C 0 {1,S} {6,T} -5 H 0 {1,S} -6 N 0 {4,T} - - -Css-ChCh(CxbN)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 CxbN 0 {1,S} -5 H 0 {1,S} - - -Css-ChCh(Cx!N)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Cx!N 0 {1,S} -5 H 0 {1,S} - - -Css-ChCh(Cx!G4G5)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Cx!G4G5 0 {1,S} -5 H 0 {1,S} - - -Css-ChCh(CxG6)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 CxG6 0 {1,S} -5 H 0 {1,S} - - -Css-ChCh(CxO)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 CxO 0 {1,S} -5 H 0 {1,S} - - -Css-ChCh(CxsO)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 CxsO 0 {1,S} -5 H 0 {1,S} - - -Css-ChCh(CxdO)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 CxdO 0 {1,S} -5 H 0 {1,S} - - -Css-ChCh(Cds-ORch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 O 0 {4,D} -7 Rch 0 {4,S} - - -Css-ChsChs(Cds-ORch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 O 0 {4,D} -7 Rch 0 {4,S} - - -Css-ChdChd(Cds-ORch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Chd 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 O 0 {4,D} -7 Rch 0 {4,S} - - -Css-ChdCht(Cds-ORch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Cht 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 O 0 {4,D} -7 Rch 0 {4,S} - - -Css-ChCh(Cds-CO)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 C 0 {4,D} -7 O 0 {4,S} - - -Css-ChCh(CxbO)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 CxbO 0 {1,S} -5 H 0 {1,S} - - -Css-ChCh(Cx!O)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Cx!O 0 {1,S} -5 H 0 {1,S} - - -Css-ChCh(Cx!G4G5G6)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Cx!G4G5G6 0 {1,S} -5 H 0 {1,S} - - -Css-ChCh(Cx2+)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 Cx2+ 0 {1,S} -5 H 0 {1,S} - - -Css-ChCxCxH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Cx 0 {1,S} -4 Cx 0 {1,S} -5 H 0 {1,S} - - -Css-Ch(Cx1)(Cx1)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Cx1 0 {1,S} -4 Cx1 0 {1,S} -5 H 0 {1,S} - - -Css-Ch(CxO)(CxO)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 CxO 0 {1,S} -4 CxO 0 {1,S} -5 H 0 {1,S} - - -Css-Ch(CxdO)(CxdO)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 CxdO 0 {1,S} -4 CxdO 0 {1,S} -5 H 0 {1,S} - - -Css-Ch(Cds-ORch)(Cds-ORch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} -8 O 0 {4,D} -9 Rch 0 {4,S} - - -Css-Chs(Cds-ORch)(Cds-ORch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} -8 O 0 {4,D} -9 Rch 0 {4,S} - - -Css-Chd(Cds-ORch)(Cds-ORch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} -8 O 0 {4,D} -9 Rch 0 {4,S} - - -Css-Cht(Cds-ORch)(Cds-ORch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cht 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} -8 O 0 {4,D} -9 Rch 0 {4,S} - - -Css-Chb(Cds-ORch)(Cds-ORch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chb 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} -8 O 0 {4,D} -9 Rch 0 {4,S} - - -Css-Ch(Cds-ORch)(Cds-CO)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} -8 C 0 {4,D} -9 O 0 {4,S} - - -Css-Ch(Cds-CO)(Cds-CO)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 C 0 {3,D} -7 O 0 {3,S} -8 C 0 {4,D} -9 O 0 {4,S} - - -Css-Ch(Cx1)(Cx2+)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Cx1 0 {1,S} -4 Cx2+ 0 {1,S} -5 H 0 {1,S} - - -Css-Ch(Cx2+)(Cx2+)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Cx2+ 0 {1,S} -4 Cx2+ 0 {1,S} -5 H 0 {1,S} - - -Css-CxCxCxH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cx 0 {1,S} -3 Cx 0 {1,S} -4 Cx 0 {1,S} -5 H 0 {1,S} - - -Css-CCHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-ChChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Ch 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-ChsChsHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chs 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-ChsChdHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chd 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Chs)(Cds-ChRch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Ch 0 {3,D} -7 Rch 0 {3,S} - - -Css-(Chs)(Cds-CxRch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx 0 {3,D} -7 Rch 0 {3,S} - - -Css-(Chs)(Cds-(Cx1)Rch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx1 0 {3,D} -7 Rch 0 {3,S} - - -Css-(Chs)(Cds-(CxO)Rch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 CxO 0 {3,D} -7 Rch 0 {3,S} - - -Css-(Chs)(Cds-(CxdO)Rch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 CxdO 0 {3,D} -7 Rch 0 {3,S} - - -Css-(Chs)(Cds-(CxddO)Rch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 CxddO 0 {3,D} -7 Rch 0 {3,S} - - -Css-(Chs)(Cds-(Cdd-O)Rch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {3,D} {8,D} -7 Rch 0 {3,S} -8 O 0 {6,D} - - -Css-(Chs)(Cds-(Cx2+)Rch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx2+ 0 {3,D} -7 Rch 0 {3,S} - - -Css-ChsChbHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Chb 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-ChsChtHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 Cht 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-ChdChdHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Chd 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cds-ChRch)(Cds-ChRch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Ch 0 {2,D} -7 Rch 0 {2,S} -8 Ch 0 {3,D} -9 Rch 0 {3,S} - - -Css-(Cds-ChdRch)(Cds-ChdRch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Chd 0 {2,D} -7 Rch 0 {2,S} -8 Chd 0 {3,D} -9 Rch 0 {3,S} - - -Css-(Cds-ChdRch)(Cds-ChddRch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Chd 0 {2,D} -7 Rch 0 {2,S} -8 Chdd 0 {3,D} -9 Rch 0 {3,S} - - -Css-(Cds-ChddRch)(Cds-ChddRch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Chdd 0 {2,D} -7 Rch 0 {2,S} -8 Chdd 0 {3,D} -9 Rch 0 {3,S} - - -Css-(Cds-CxRch)(Cds-ChRch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Ch 0 {3,D} -9 Rch 0 {3,S} - - -Css-(Cds-CxRch)(Cds-CxRch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 Cx 0 {3,D} -9 Rch 0 {3,S} - - -Css-(Cds-(Cx1)Rch)(Cds-(Cx1)Rch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx1 0 {2,D} -7 Rch 0 {2,S} -8 Cx1 0 {3,D} -9 Rch 0 {3,S} - - -Css-(Cds-(CxO)Rch)(Cds-(CxO)Rch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 CxO 0 {2,D} -7 Rch 0 {2,S} -8 CxO 0 {3,D} -9 Rch 0 {3,S} - - -Css-(Cds-(CxdO)Rch)(Cds-(CxdO)Rch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 CxdO 0 {2,D} -7 Rch 0 {2,S} -8 CxdO 0 {3,D} -9 Rch 0 {3,S} - - -Css-(Cds-(CxddO)Rch)(Cds-(CxdO)Rch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 CxddO 0 {2,D} -7 Rch 0 {2,S} -8 CxdO 0 {3,D} -9 Rch 0 {3,S} - - -Css-(Cds-(CxddO)Rch)(Cds-(CxddO)Rch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 CxddO 0 {2,D} -7 Rch 0 {2,S} -8 CxddO 0 {3,D} -9 Rch 0 {3,S} - - -Css-(Cds-(Cdd-O)Rch)(Cds-(Cdd-O)Rch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {2,D} {10,D} -7 Rch 0 {2,S} -8 C 0 {3,D} {11,D} -9 Rch 0 {3,S} -10 O 0 {6,D} -11 O 0 {8,D} - - -Css-(Cds-(Cx2+)Rch)(Cds-(Cx1)Rch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx2+ 0 {2,D} -7 Rch 0 {2,S} -8 Cx1 0 {3,D} -9 Rch 0 {3,S} - - -Css-(Cds-(Cx2+)Rch)(Cds-(Cx2+)Rch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx2+ 0 {2,D} -7 Rch 0 {2,S} -8 Cx2+ 0 {3,D} -9 Rch 0 {3,S} - - -Css-ChdChbHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Chb 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cds-ChRch)(Cb-CC)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,B} {9,B} -4 H 0 {1,S} -5 H 0 {1,S} -6 Ch 0 {2,D} -7 Rch 0 {2,S} -8 C 0 {3,B} -9 C 0 {3,B} - - -Css-(Cds-ChdRch)(Cb-CC)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,B} {9,B} -4 H 0 {1,S} -5 H 0 {1,S} -6 Chd 0 {2,D} -7 Rch 0 {2,S} -8 C 0 {3,B} -9 C 0 {3,B} - - -Css-(Cds-ChddRch)(Cb-CC)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,B} {9,B} -4 H 0 {1,S} -5 H 0 {1,S} -6 Chdd 0 {2,D} -7 Rch 0 {2,S} -8 C 0 {3,B} -9 C 0 {3,B} - - -Css-(Cds-CxRch)(Cb-CC)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,B} {9,B} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 C 0 {3,B} -9 C 0 {3,B} - - -Css-ChdChtHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 Cht 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cds-ChRch)(Ct-C)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,T} -4 H 0 {1,S} -5 H 0 {1,S} -6 Ch 0 {2,D} -7 Rch 0 {2,S} -8 C 0 {3,T} - - -Css-(Cds-ChdRch)(Ct-C)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,T} -4 H 0 {1,S} -5 H 0 {1,S} -6 Chd 0 {2,D} -7 Rch 0 {2,S} -8 C 0 {3,T} - - -Css-(Cds-ChddRch)(Ct-C)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,T} -4 H 0 {1,S} -5 H 0 {1,S} -6 Chdd 0 {2,D} -7 Rch 0 {2,S} -8 C 0 {3,T} - - -Css-(Cds-CxRch)(Ct-C)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,T} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx 0 {2,D} -7 Rch 0 {2,S} -8 C 0 {3,T} - - -Css-(Cds-(Cx1)Rch)(Ct-C)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,T} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx1 0 {2,D} -7 Rch 0 {2,S} -8 C 0 {3,T} - - -Css-(Cds-(CxO)Rch)(Ct-C)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,T} -4 H 0 {1,S} -5 H 0 {1,S} -6 CxO 0 {2,D} -7 Rch 0 {2,S} -8 C 0 {3,T} - - -Css-(Cds-(CxdO)Rch)(Ct-C)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,T} -4 H 0 {1,S} -5 H 0 {1,S} -6 CxdO 0 {2,D} -7 Rch 0 {2,S} -8 C 0 {3,T} - - -Css-(Cds-(CxddO)Rch)(Ct-C)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,T} -4 H 0 {1,S} -5 H 0 {1,S} -6 CxddO 0 {2,D} -7 Rch 0 {2,S} -8 C 0 {3,T} - - -Css-(Cds-(Cdd-O)Rch)(Ct-C)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,T} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {2,D} {9,D} -7 Rch 0 {2,S} -8 C 0 {3,T} -9 O 0 {6,D} - - -Css-(Cds-(Cx2+)Rch)(Ct-C)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,T} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx2+ 0 {2,D} -7 Rch 0 {2,S} -8 C 0 {3,T} - - -Css-ChbChbHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chb 0 {1,S} -3 Chb 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-ChbChtHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chb 0 {1,S} -3 Cht 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-ChtChtHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cht 0 {1,S} -3 Cht 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-CxChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Cx 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cx1)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Cx1 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(CxG4)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 CxG4 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cx!G4)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Cx!G4 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(CxG5)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 CxG5 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(CxN)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 CxN 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(CxsN)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 CxsN 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(CxdN)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 CxdN 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Ct-N)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 C 0 {1,S} {6,T} -4 H 0 {1,S} -5 H 0 {1,S} -6 N 0 {3,T} - - -Css-(CxbN)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 CxbN 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cx!N)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Cx!N 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cx!G4G5)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Cx!G4G5 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(CxG6)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 CxG6 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(CxO)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 CxO 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(CxsO)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 CxsO 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(CxdO)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 CxdO 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cds-ORch)ChsHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} - - -Css-(Cds-ORch)ChdHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} - - -Css-(Cds-ORch)(Cds-ChRch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {8,D} {9,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {2,D} -9 Rch 0 {2,S} - - -Css-(Cds-ORch)(Cds-ChdRch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {8,D} {9,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} -8 Chd 0 {2,D} -9 Rch 0 {2,S} - - -Css-(Cds-ORch)(Cds-ChddRch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {8,D} {9,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} -8 Chdd 0 {2,D} -9 Rch 0 {2,S} - - -Css-(Cds-ORch)(Cds-CxRch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {8,D} {9,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} -8 Cx 0 {2,D} -9 Rch 0 {2,S} - - -Css-(Cds-ORch)ChtHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cht 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} - - -Css-(Cds-ORch)ChbHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chb 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} - - -Css-(Cds-CO)ChsHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {3,D} -7 O 0 {3,S} - - -Css-(Cds-CO)ChdHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {3,D} -7 O 0 {3,S} - - -Css-(Cds-CO)ChtHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cht 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {3,D} -7 O 0 {3,S} - - -Css-(Cds-CO)ChbHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chb 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {3,D} -7 O 0 {3,S} - - -Css-(CxbO)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 CxbO 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cx!O)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Cx!O 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cx!G4G5G6)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Cx!G4G5G6 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cx2+)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 Cx2+ 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-CxCxHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cx 0 {1,S} -3 Cx 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cx1)(Cx1)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cx1 0 {1,S} -3 Cx1 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(CxO)(CxO)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 CxO 0 {1,S} -3 CxO 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(CxdO)(CxdO)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 CxdO 0 {1,S} -3 CxdO 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cds-ORch)(Cds-ORch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {2,D} -7 Rch 0 {2,S} -8 O 0 {3,D} -9 Rch 0 {3,S} - - -Css-(Cds-CO)(Cds-ORch)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {2,D} -7 O 0 {2,S} -8 O 0 {3,D} -9 Rch 0 {3,S} - - -Css-(Cds-CO)(Cds-CO)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 C 0 {1,S} {8,D} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {2,D} -7 O 0 {2,S} -8 C 0 {3,D} -9 O 0 {3,S} - - -Css-(Cx2+)(Cx1)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cx2+ 0 {1,S} -3 Cx1 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cx2+)(Cx2+)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cx2+ 0 {1,S} -3 Cx2+ 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-CHHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-ChHHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ch 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-ChsHHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-ChdHHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cds-ChRch)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Ch 0 {2,D} -7 Rch 0 {2,S} - - -Css-(Cds-ChdRch)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Chd 0 {2,D} -7 Rch 0 {2,S} - - -Css-(Cds-ChddRch)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Chdd 0 {2,D} -7 Rch 0 {2,S} - - -Css-(Cds-(Cdd-C)Rch)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {2,D} {8,D} -7 Rch 0 {2,S} -8 C 0 {6,D} - - -Css-(Cds-CxRch)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx 0 {2,D} -7 Rch 0 {2,S} - - -Css-(Cds-(Cx1)Rch)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx1 0 {2,D} -7 Rch 0 {2,S} - - -Css-(Cds-(CxG4)Rch)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 CxG4 0 {2,D} -7 Rch 0 {2,S} - - -Css-(Cds-(Cx!G4)Rch)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx!G4 0 {2,D} -7 Rch 0 {2,S} - - -Css-(Cds-(CxG5)Rch)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 CxG5 0 {2,D} -7 Rch 0 {2,S} - - -Css-(Cds-(Cx!G4G5)Rch)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx!G4G5 0 {2,D} -7 Rch 0 {2,S} - - -Css-(Cds-(CxG6)Rch)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 CxG6 0 {2,D} -7 Rch 0 {2,S} - - -Css-(Cds-(CxO)Rch)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 CxO 0 {2,D} -7 Rch 0 {2,S} - - -Css-(Cds-(CxdO)Rch)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 CxdO 0 {2,D} -7 Rch 0 {2,S} - - -Css-(Cds-(CxddO)Rch)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 CxddO 0 {2,D} -7 Rch 0 {2,S} - - -Css-(Cds-(Cdd-O)Rch)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {2,D} {8,D} -7 Rch 0 {2,S} -8 O 0 {6,D} - - -Css-(Cds-(Cx!O)Rch)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx!O 0 {2,D} -7 Rch 0 {2,S} - - -Css-(Cds-(Cx!G4G5G6)Rch)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx!G4G5G6 0 {2,D} -7 Rch 0 {2,S} - - -Css-(Cds-(Cx2+)Rch)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx2+ 0 {2,D} -7 Rch 0 {2,S} - - -Css-ChbHHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Chb 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-ChtHHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cht 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-CxHHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cx 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cx1)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cx1 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(CxG4)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 CxG4 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cx!G4)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cx!G4 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(CxG5)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 CxG5 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(CxN)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 CxN 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(CxsN)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 CxsN 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(CxdN)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 CxdN 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Ct-N)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,T} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 N 0 {2,T} - - -Css-(CxbN)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 CxbN 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cx!N)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cx!N 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cx!G4G5)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cx!G4G5 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(CxG6)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 CxG6 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(CxO)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 CxO 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(CxsO)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 CxsO 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Css-OCC)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {2,S} -7 C 0 {2,S} -8 C 0 {2,S} - - -Css-(Css-OhChCh)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Oh 0 {2,S} -7 Ch 0 {2,S} -8 Ch 0 {2,S} - - -Css-(Css-(O-C)ChCh)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {2,S} {9,S} -7 Ch 0 {2,S} -8 Ch 0 {2,S} -9 C 0 {6,S} - - -Css-(Css-(O-H)ChCh)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {2,S} {9,S} -7 Ch 0 {2,S} -8 Ch 0 {2,S} -9 H 0 {6,S} - - -Css-(Css-OhChCx)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Oh 0 {2,S} -7 Ch 0 {2,S} -8 Cx 0 {2,S} - - -Css-(Css-OhCxCx)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Oh 0 {2,S} -7 Cx 0 {2,S} -8 Cx 0 {2,S} - - -Css-(Css-OxChCh)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Ox 0 {2,S} -7 Ch 0 {2,S} -8 Ch 0 {2,S} - - -Css-(Css-(Ox1)ChCh)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Ox1 0 {2,S} -7 Ch 0 {2,S} -8 Ch 0 {2,S} - - -Css-(Css-(OxG4)ChCh)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 OxG4 0 {2,S} -7 Ch 0 {2,S} -8 Ch 0 {2,S} - - -Css-(Css-(Ox!G4)ChCh)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Ox!G4 0 {2,S} -7 Ch 0 {2,S} -8 Ch 0 {2,S} - - -Css-(Css-(OxG5)ChCh)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 OxG5 0 {2,S} -7 Ch 0 {2,S} -8 Ch 0 {2,S} - - -Css-(Css-(Ox!G4G5)ChCh)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Ox!G4G5 0 {2,S} -7 Ch 0 {2,S} -8 Ch 0 {2,S} - - -Css-(Css-(OxG6)ChCh)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 OxG6 0 {2,S} -7 Ch 0 {2,S} -8 Ch 0 {2,S} - - -Css-(Css-(Ox!G4G5G6)ChCh)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Ox!G4G5G6 0 {2,S} -7 Ch 0 {2,S} -8 Ch 0 {2,S} - - -Css-(Css-OxChCx)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Ox 0 {2,S} -7 Ch 0 {2,S} -8 Cx 0 {2,S} - - -Css-(Css-OxCxCx)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Ox 0 {2,S} -7 Cx 0 {2,S} -8 Cx 0 {2,S} - - -Css-(Css-OCH)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {2,S} -7 C 0 {2,S} -8 H 0 {2,S} - - -Css-(Css-OHH)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,S} {7,S} {8,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {2,S} -7 H 0 {2,S} -8 H 0 {2,S} - - -Css-(CxdO)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 CxdO 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cds-OC)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {2,D} -7 C 0 {2,S} - - -Css-(Cds-OCh)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {2,D} -7 Ch 0 {2,S} - - -Css-(Cds-OCx)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {2,D} -7 Cx 0 {2,S} - - -Css-(Cds-OH)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {2,D} -7 H 0 {2,S} - - -Css-(Cds-CO)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {2,D} -7 O 0 {2,S} - - -Css-(Cds-ChOh)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Ch 0 {2,D} -7 Oh 0 {2,S} - - -Css-(Cds-ChOx)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Ch 0 {2,D} -7 Ox 0 {2,S} - - -Css-(Cds-CxOh)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx 0 {2,D} -7 Oh 0 {2,S} - - -Css-(Cds-CxOx)(H)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} {6,D} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx 0 {2,D} -7 Ox 0 {2,S} - - -Css-(CxbO)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 CxbO 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cx!O)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cx!O 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cx!G4G5G6)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cx!G4G5G6 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Cx2+)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cx2+ 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-HHHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Chd -1 * C 0 {2,D} {3,S} {4,S} -2 Rch 0 {1,D} -3 Rch 0 {1,S} -4 Rch 0 {1,S} - - -Cds-CCC -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 C 0 {1,S} -4 C 0 {1,S} - - -Cds-ChChCh -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Ch 0 {1,S} -4 Ch 0 {1,S} - - -Cds-ChdChsChs -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 Chs 0 {1,S} -4 Chs 0 {1,S} - - -Cds-ChdChdChs -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 Chd 0 {1,S} -4 Chs 0 {1,S} - - -Cds-(Cds-RchRch)(Cds-ChRch)(Chs) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 Chs 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Ch 0 {3,D} -8 Rch 0 {3,S} - - -Cds-(Cds-RchRch)(Cds-ChdRch)(Chs) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 Chs 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Chd 0 {3,D} -8 Rch 0 {3,S} - - -Cds-(Cds-RchRch)(Cds-ChddRch)(Chs) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 Chs 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Chdd 0 {3,D} -8 Rch 0 {3,S} - - -Cds-(Cds-RchRch)(Cds-CxRch)(Chs) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 Chs 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Cx 0 {3,D} -8 Rch 0 {3,S} - - -Cds-ChdChtChs -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 Cht 0 {1,S} -4 Chs 0 {1,S} - - -Cds-ChdChbChs -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 Chb 0 {1,S} -4 Chs 0 {1,S} - - -Cds-ChdChdChd -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 Chd 0 {1,S} -4 Chd 0 {1,S} - - -Cds-(Cds-RchRch)(Cds-ChRch)(Cds-ChRch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 C 0 {1,S} {9,D} {10,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Ch 0 {3,D} -8 Rch 0 {3,S} -9 Ch 0 {4,D} -10 Rch 0 {4,S} - - -Cds-(Cds-RchRch)(Cds-ChdRch)(Cds-ChdRch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 C 0 {1,S} {9,D} {10,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Chd 0 {3,D} -8 Rch 0 {3,S} -9 Chd 0 {4,D} -10 Rch 0 {4,S} - - -Cds-(Cds-RchRch)(Cds-ChdRch)(Cds-ChddRch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 C 0 {1,S} {9,D} {10,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Chd 0 {3,D} -8 Rch 0 {3,S} -9 Chdd 0 {4,D} -10 Rch 0 {4,S} - - -Cds-(Cds-RchRch)(Cds-ChddRch)(Cds-ChddRch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 C 0 {1,S} {9,D} {10,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Chdd 0 {3,D} -8 Rch 0 {3,S} -9 Chdd 0 {4,D} -10 Rch 0 {4,S} - - -Cds-(Cds-RchRch)(Cds-ChRch)(Cds-CxRch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 C 0 {1,S} {9,D} {10,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Ch 0 {3,D} -8 Rch 0 {3,S} -9 Cx 0 {4,D} -10 Rch 0 {4,S} - - -Cds-(Cds-RchRch)(Cds-CxRch)(Cds-CxRch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 C 0 {1,S} {9,D} {10,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Cx 0 {3,D} -8 Rch 0 {3,S} -9 Cx 0 {4,D} -10 Rch 0 {4,S} - - -Cds-ChdChtChd -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 Cht 0 {1,S} -4 Chd 0 {1,S} - - -Cds-(Cds-RchRch)(Ct-Ch)(Cds-ChRch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,T} -4 C 0 {1,S} {8,D} {9,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Ch 0 {3,T} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Cds-(Cds-RchRch)(Ct-Ch)(Cds-ChdRch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,T} -4 C 0 {1,S} {8,D} {9,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Ch 0 {3,T} -8 Chd 0 {4,D} -9 Rch 0 {4,S} - - -Cds-(Cds-RchRch)(Ct-Ch)(Cds-ChddRch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,T} -4 C 0 {1,S} {8,D} {9,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Ch 0 {3,T} -8 Chdd 0 {4,D} -9 Rch 0 {4,S} - - -Cds-(Cds-RchRch)(Ct-Ch)(Cds-CxRch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,T} -4 C 0 {1,S} {8,D} {9,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Ch 0 {3,T} -8 Cx 0 {4,D} -9 Rch 0 {4,S} - - -Cds-(Cds-RchRch)(Ct-Cx)(Cds-ChRch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,T} -4 C 0 {1,S} {8,D} {9,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Cx 0 {3,T} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Cds-(Cds-RchRch)(Ct-Cx)(Cds-CxRch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,T} -4 C 0 {1,S} {8,D} {9,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Cx 0 {3,T} -8 Cx 0 {4,D} -9 Rch 0 {4,S} - - -Cds-ChdChbChd -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 Chb 0 {1,S} -4 Chd 0 {1,S} - - -Cds-(Cds-RchRch)(Cb-CC)(Cds-ChRch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,B} {8,B} -4 C 0 {1,S} {9,D} {10,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 C 0 {3,B} -8 C 0 {3,B} -9 Ch 0 {4,D} -10 Rch 0 {4,S} - - -Cds-(Cds-RchRch)(Cb-CC)(Cds-ChdRch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,B} {8,B} -4 C 0 {1,S} {9,D} {10,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 C 0 {3,B} -8 C 0 {3,B} -9 Chd 0 {4,D} -10 Rch 0 {4,S} - - -Cds-(Cds-RchRch)(Cb-CC)(Cds-ChddRch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,B} {8,B} -4 C 0 {1,S} {9,D} {10,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 C 0 {3,B} -8 C 0 {3,B} -9 Chdd 0 {4,D} -10 Rch 0 {4,S} - - -Cds-(Cds-RchRch)(Cb-CC)(Cds-CxRch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,B} {8,B} -4 C 0 {1,S} {9,D} {10,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 C 0 {3,B} -8 C 0 {3,B} -9 Cx 0 {4,D} -10 Rch 0 {4,S} - - -Cds-ChdChtCht -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 Cht 0 {1,S} -4 Cht 0 {1,S} - - -Cds-ChdChbCht -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 Chb 0 {1,S} -4 Cht 0 {1,S} - - -Cds-ChdChbChb -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 Chb 0 {1,S} -4 Chb 0 {1,S} - - -Cds-ChddChsChs -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 Chs 0 {1,S} -4 Chs 0 {1,S} - - -Cds-ChddChdChs -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 Chd 0 {1,S} -4 Chs 0 {1,S} - - -Cds-ChddChtChs -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 Cht 0 {1,S} -4 Chs 0 {1,S} - - -Cds-ChddChbChs -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 Chb 0 {1,S} -4 Chs 0 {1,S} - - -Cds-ChddChdChd -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 Chd 0 {1,S} -4 Chd 0 {1,S} - - -Cds-ChddChtChd -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 Cht 0 {1,S} -4 Chd 0 {1,S} - - -Cds-ChddChbChd -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 Chb 0 {1,S} -4 Chd 0 {1,S} - - -Cds-ChddChtCht -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 Cht 0 {1,S} -4 Cht 0 {1,S} - - -Cds-ChddChbCht -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 Chb 0 {1,S} -4 Cht 0 {1,S} - - -Cds-ChddChbChb -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 Chb 0 {1,S} -4 Chb 0 {1,S} - - -Cds-ChCxCh -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx 0 {1,S} -4 Ch 0 {1,S} - - -Cds-Ch(Cx1)Ch -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx1 0 {1,S} -4 Ch 0 {1,S} - - -Cds-Ch(CxG4)Ch -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxG4 0 {1,S} -4 Ch 0 {1,S} - - -Cds-Ch(Cx!G4)Ch -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx!G4 0 {1,S} -4 Ch 0 {1,S} - - -Cds-Ch(CxG5)Ch -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxG5 0 {1,S} -4 Ch 0 {1,S} - - -Cds-Ch(CxN)Ch -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxN 0 {1,S} -4 Ch 0 {1,S} - - -Cds-Ch(CxsN)Ch -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxsN 0 {1,S} -4 Ch 0 {1,S} - - -Cds-Ch(CxdN)Ch -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxdN 0 {1,S} -4 Ch 0 {1,S} - - -Cds-Ch(Ct-N)Ch -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 C 0 {1,S} {5,T} -4 Ch 0 {1,S} -5 N 0 {3,T} - - -Cds-Ch(CxbN)Ch -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxbN 0 {1,S} -4 Ch 0 {1,S} - - -Cds-Ch(Cx!N)Ch -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx!N 0 {1,S} -4 Ch 0 {1,S} - - -Cds-Ch(Cx!G4G5)Ch -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx!G4G5 0 {1,S} -4 Ch 0 {1,S} - - -Cds-Ch(CxG6)Ch -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxG6 0 {1,S} -4 Ch 0 {1,S} - - -Cds-Ch(CxO)Ch -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxO 0 {1,S} -4 Ch 0 {1,S} - - -Cds-Chd(CxdO)Ch -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxO 0 {1,S} -4 Ch 0 {1,S} - - -Cds-(Cds-RchRch)(Cds-ORch)(Ch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 Ch 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 O 0 {3,D} -8 Rch 0 {3,S} - - -Cds-(Cds-RchRch)(Cds-ORch)(Chs) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 Chs 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 O 0 {3,D} -8 Rch 0 {3,S} - - -Cds-(Cds-RchRch)(Cds-ORch)(Chd) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 Chd 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 O 0 {3,D} -8 Rch 0 {3,S} - - -Cds-(Cds-RchRch)(Cds-ORch)(Cds-ChRch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 C 0 {1,S} {9,D} {10,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 O 0 {3,D} -8 Rch 0 {3,S} -9 Ch 0 {4,D} -10 Rch 0 {4,S} - - -Cds-(Cds-RchRch)(Cds-ORch)(Cds-ChdRch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 C 0 {1,S} {9,D} {10,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 O 0 {3,D} -8 Rch 0 {3,S} -9 Chd 0 {4,D} -10 Rch 0 {4,S} - - -Cds-(Cds-RchRch)(Cds-ORch)(Cds-ChddRch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 C 0 {1,S} {9,D} {10,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 O 0 {3,D} -8 Rch 0 {3,S} -9 Chdd 0 {4,D} -10 Rch 0 {4,S} - - -Cds-(Cds-RchRch)(Cds-ORch)(Cds-CxRch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 C 0 {1,S} {9,D} {10,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 O 0 {3,D} -8 Rch 0 {3,S} -9 Cx 0 {4,D} -10 Rch 0 {4,S} - - -Cds-(Cds-RchRch)(Cds-ORch)(Cht) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 Cht 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 O 0 {3,D} -8 Rch 0 {3,S} - - -Cds-(Cds-RchRch)(Cds-ORch)(Chb) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 Chb 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 O 0 {3,D} -8 Rch 0 {3,S} - - -Cds-(Cds-RchRch)(Cds-CO)(Ch) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 Ch 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 C 0 {3,D} -8 O 0 {3,S} - - -Cds-Ch(Cx!O)Ch -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx!O 0 {1,S} -4 Ch 0 {1,S} - - -Cds-Ch(Cx!G4G5G6)Ch -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx!G4G5G6 0 {1,S} -4 Ch 0 {1,S} - - -Cds-Ch(Cx2+)Ch -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx2+ 0 {1,S} -4 Ch 0 {1,S} - - -Cds-ChCxCx -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx 0 {1,S} -4 Cx 0 {1,S} - - -Cds-CxChCh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx 0 {1,D} -3 Ch 0 {1,S} -4 Ch 0 {1,S} - - -Cds-(Cx1)ChCh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx1 0 {1,D} -3 Ch 0 {1,S} -4 Ch 0 {1,S} - - -Cds-(CxG4)ChCh -1 * C 0 {2,D} {3,S} {4,S} -2 CxG4 0 {1,D} -3 Ch 0 {1,S} -4 Ch 0 {1,S} - - -Cds-(Cx!G4)ChCh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!G4 0 {1,D} -3 Ch 0 {1,S} -4 Ch 0 {1,S} - - -Cds-(CxG5)ChCh -1 * C 0 {2,D} {3,S} {4,S} -2 CxG5 0 {1,D} -3 Ch 0 {1,S} -4 Ch 0 {1,S} - - -Cds-(Cx!G4G5)ChCh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!G4G5 0 {1,D} -3 Ch 0 {1,S} -4 Ch 0 {1,S} - - -Cds-(CxG6)ChCh -1 * C 0 {2,D} {3,S} {4,S} -2 CxG6 0 {1,D} -3 Ch 0 {1,S} -4 Ch 0 {1,S} - - -Cds-(CxO)ChCh -1 * C 0 {2,D} {3,S} {4,S} -2 CxO 0 {1,D} -3 Ch 0 {1,S} -4 Ch 0 {1,S} - - -Cds-(CxdO)ChCh -1 * C 0 {2,D} {3,S} {4,S} -2 CxdO 0 {1,D} -3 Ch 0 {1,S} -4 Ch 0 {1,S} - - -Cds-(CxddO)ChCh -1 * C 0 {2,D} {3,S} {4,S} -2 CxddO 0 {1,D} -3 Ch 0 {1,S} -4 Ch 0 {1,S} - - -Cds-(Cdd-O)(Chs)(Chs) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 O 0 {2,D} - - -Cds-(Cdd-O)(Chd)(Chs) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 Chd 0 {1,S} -4 Chs 0 {1,S} -5 O 0 {2,D} - - -Cds-(Cdd-O)(Cds-ChRch)(Chs) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,D} {7,S} -4 Chs 0 {1,S} -5 O 0 {2,D} -6 Ch 0 {3,D} -7 Rch 0 {3,S} - - -Cds-(Cdd-O)(Cds-CxRch)(Chs) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,D} {7,S} -4 Chs 0 {1,S} -5 O 0 {2,D} -6 Cx 0 {3,D} -7 Rch 0 {3,S} - - -Cds-(Cdd-O)(Cds-(CxdO)Rch)(Chs) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,D} {7,S} -4 Chs 0 {1,S} -5 O 0 {2,D} -6 CxdO 0 {3,D} -7 Rch 0 {3,S} - - -Cds-(Cdd-O)(Cds-(CxddO)Rch)(Chs) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,D} {7,S} -4 Chs 0 {1,S} -5 O 0 {2,D} -6 CxddO 0 {3,D} -7 Rch 0 {3,S} - - -Cds-(Cdd-O)(Cds-(Cdd-O)Rch)(Chs) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,D} {7,S} -4 Chs 0 {1,S} -5 O 0 {2,D} -6 C 0 {3,D} {8,D} -7 Rch 0 {3,S} -8 O 0 {6,D} - - -Cds-(Cx!O)ChCh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!O 0 {1,D} -3 Ch 0 {1,S} -4 Ch 0 {1,S} - - -Cds-(Cx!G4G5G6)ChCh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!G4G5G6 0 {1,D} -3 Ch 0 {1,S} -4 Ch 0 {1,S} - - -Cds-(Cx2+)ChCh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx2+ 0 {1,D} -3 Ch 0 {1,S} -4 Ch 0 {1,S} - - -Cds-CxCxCh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx 0 {1,D} -3 Cx 0 {1,S} -4 Ch 0 {1,S} - - -Cds-CxCxCx -1 * C 0 {2,D} {3,S} {4,S} -2 Cx 0 {1,D} -3 Cx 0 {1,S} -4 Cx 0 {1,S} - - -Cds-CCH -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 C 0 {1,S} -4 H 0 {1,S} - - -Cds-ChChH -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Ch 0 {1,S} -4 H 0 {1,S} - - -Cds-ChdChsH -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 Chs 0 {1,S} -4 H 0 {1,S} - - -Cds-ChdChdH -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 Chd 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cds-RchRch)(Cds-ChRch)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 H 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Ch 0 {3,D} -8 Rch 0 {3,S} - - -Cds-(Cds-RchRch)(Cds-ChdRch)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 H 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Chd 0 {3,D} -8 Rch 0 {3,S} - - -Cds-(Cds-RchRch)(Cds-ChddRch)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 H 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Chdd 0 {3,D} -8 Rch 0 {3,S} - - -Cds-(Cds-RchRch)(Cds-CxRch)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 H 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Cx 0 {3,D} -8 Rch 0 {3,S} - - -Cds-ChdChtH -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 Cht 0 {1,S} -4 H 0 {1,S} - - -Cds-ChdChbH -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 Chb 0 {1,S} -4 H 0 {1,S} - - -Cds-ChddChsH -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 Chs 0 {1,S} -4 H 0 {1,S} - - -Cds-ChddChdH -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 Chd 0 {1,S} -4 H 0 {1,S} - - -Cds-ChddChtH -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 Cht 0 {1,S} -4 H 0 {1,S} - - -Cds-ChddChbH -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 Chb 0 {1,S} -4 H 0 {1,S} - - -Cds-ChCxH -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx 0 {1,S} -4 H 0 {1,S} - - -Cds-Ch(Cx1)H -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx1 0 {1,S} -4 H 0 {1,S} - - -Cds-Ch(CxG4)H -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxG4 0 {1,S} -4 H 0 {1,S} - - -Cds-Ch(Cx!G4)H -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx!G4 0 {1,S} -4 H 0 {1,S} - - -Cds-Ch(CxG5)H -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxG5 0 {1,S} -4 H 0 {1,S} - - -Cds-Ch(CxN)H -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxN 0 {1,S} -4 H 0 {1,S} - - -Cds-Ch(CxsN)H -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxsN 0 {1,S} -4 H 0 {1,S} - - -Cds-Ch(CxdN)H -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxdN 0 {1,S} -4 H 0 {1,S} - - -Cds-Ch(Ct-N)H -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 C 0 {1,S} {5,T} -4 H 0 {1,S} -5 N 0 {3,T} - - -Cds-Ch(CxbN)H -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxbN 0 {1,S} -4 H 0 {1,S} - - -Cds-Ch(Cx!N)H -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx!N 0 {1,S} -4 H 0 {1,S} - - -Cds-Ch(Cx!G4G5)H -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx!G4G5 0 {1,S} -4 H 0 {1,S} - - -Cds-Ch(CxG6)H -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxG6 0 {1,S} -4 H 0 {1,S} - - -Cds-Ch(CxO)H -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxO 0 {1,S} -4 H 0 {1,S} - - -Cds-Chd(CxsO)H -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 CxsO 0 {1,S} -4 H 0 {1,S} - - -Cds-Chd(CxdO)H -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 CxdO 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cds-RchRch)(Cds-ORch)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 H 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 O 0 {3,D} -8 Rch 0 {3,S} - - -Cds-(Cds-RchRch)(Cds-CO)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 H 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 C 0 {3,D} -8 O 0 {3,S} - - -Cds-Chd(CxbO)H -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 CxbO 0 {1,S} -4 H 0 {1,S} - - -Cds-Chdd(CxsO)H -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 CxsO 0 {1,S} -4 H 0 {1,S} - - -Cds-Chdd(CxdO)H -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 CxdO 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cdd-C)(Cds-ORch)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 C 0 {2,D} -6 O 0 {3,D} -7 Rch 0 {3,S} - - -Cds-(Cdd-C)(Cds-CO)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 C 0 {2,D} -6 C 0 {3,D} -7 O 0 {3,S} - - -Cds-Chdd(CxbO)H -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 CxbO 0 {1,S} -4 H 0 {1,S} - - -Cds-Ch(Cx!O)H -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx!O 0 {1,S} -4 H 0 {1,S} - - -Cds-Ch(Cx!G4G5G6)H -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx!G4G5G6 0 {1,S} -4 H 0 {1,S} - - -Cds-Ch(Cx2+)H -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx2+ 0 {1,S} -4 H 0 {1,S} - - -Cds-CxChH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx 0 {1,D} -3 Ch 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cx1)ChH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx1 0 {1,D} -3 Ch 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxG4)ChH -1 * C 0 {2,D} {3,S} {4,S} -2 CxG4 0 {1,D} -3 Ch 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cx!G4)ChH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!G4 0 {1,D} -3 Ch 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxG5)ChH -1 * C 0 {2,D} {3,S} {4,S} -2 CxG5 0 {1,D} -3 Ch 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cx!G4G5)ChH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!G4G5 0 {1,D} -3 Ch 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxG6)ChH -1 * C 0 {2,D} {3,S} {4,S} -2 CxG6 0 {1,D} -3 Ch 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxO)ChH -1 * C 0 {2,D} {3,S} {4,S} -2 CxO 0 {1,D} -3 Ch 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxdO)ChsH -1 * C 0 {2,D} {3,S} {4,S} -2 CxdO 0 {1,D} -3 Chs 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxdO)ChdH -1 * C 0 {2,D} {3,S} {4,S} -2 CxdO 0 {1,D} -3 Chd 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxdO)ChtH -1 * C 0 {2,D} {3,S} {4,S} -2 CxdO 0 {1,D} -3 Cht 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxdO)ChbH -1 * C 0 {2,D} {3,S} {4,S} -2 CxdO 0 {1,D} -3 Chb 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cdd-O)ChsH -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 Chs 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,D} - - -Cds-(Cdd-O)ChdH -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 Chd 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,D} - - -Cds-(Cdd-O)(Cds-ChRch)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 O 0 {2,D} -6 Ch 0 {3,D} -7 Rch 0 {3,S} - - -Cds-(Cdd-O)(Cds-ChdRch)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 O 0 {2,D} -6 Chd 0 {3,D} -7 Rch 0 {3,S} - - -Cds-(Cdd-O)(Cds-ChddRch)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 O 0 {2,D} -6 Chdd 0 {3,D} -7 Rch 0 {3,S} - - -Cds-(Cdd-O)(Cds-CxRch)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 O 0 {2,D} -6 Cx 0 {3,D} -7 Rch 0 {3,S} - - -Cds-(Cdd-O)(Cds-CxddORch)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 O 0 {2,D} -6 CxddO 0 {3,D} -7 Rch 0 {3,S} - - -Cds-(Cdd-O)(Cds-(Cdd-O)Rch)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 O 0 {2,D} -6 C 0 {3,D} {8,D} -7 Rch 0 {3,S} -8 O 0 {6,D} - - -Cds-(Cdd-O)ChtH -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 Cht 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,D} - - -Cds-(Cdd-O)ChbH -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 Chb 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,D} - - -Cds-(Cx!O)ChH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!O 0 {1,D} -3 Ch 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cx!G4G5G6)ChH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!G4G5G6 0 {1,D} -3 Ch 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cx2+)ChH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx2+ 0 {1,D} -3 Ch 0 {1,S} -4 H 0 {1,S} - - -Cds-CxCxH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx 0 {1,D} -3 Cx 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cx1)(Cx1)H -1 * C 0 {2,D} {3,S} {4,S} -2 Cx1 0 {1,D} -3 Cx1 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxO)(CxO)H -1 * C 0 {2,D} {3,S} {4,S} -2 CxO 0 {1,D} -3 CxO 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxddO)(CxdO)H -1 * C 0 {2,D} {3,S} {4,S} -2 CxddO 0 {1,D} -3 CxdO 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cdd-O)(Cds-ORch)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 O 0 {2,D} -6 O 0 {3,D} -7 Rch 0 {3,S} - - -Cds-(Cdd-O)(Cds-CO)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 O 0 {2,D} -6 C 0 {3,D} -7 O 0 {3,S} - - -Cds-(Cx1)(Cx2+)H -1 * C 0 {2,D} {3,S} {4,S} -2 Cx1 0 {1,D} -3 Cx2+ 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cx2+)(Cx1)H -1 * C 0 {2,D} {3,S} {4,S} -2 Cx2+ 0 {1,D} -3 Cx1 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cx2+)(Cx2+)H -1 * C 0 {2,D} {3,S} {4,S} -2 Cx2+ 0 {1,D} -3 Cx2+ 0 {1,S} -4 H 0 {1,S} - - -Cds-CHH -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - - -Cds-ChHH -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - - -Cds-ChdHH -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - - -Cds-ChddHH -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - - -Cds-CxHH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cx1)HH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx1 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxG4)HH -1 * C 0 {2,D} {3,S} {4,S} -2 CxG4 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cx!G4)HH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!G4 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxG5)HH -1 * C 0 {2,D} {3,S} {4,S} -2 CxG5 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cx!G4G5)HH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!G4G5 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxG6)HH -1 * C 0 {2,D} {3,S} {4,S} -2 CxG6 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxO)HH -1 * C 0 {2,D} {3,S} {4,S} -2 CxO 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxdO)HH -1 * C 0 {2,D} {3,S} {4,S} -2 CxdO 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxddO)HH -1 * C 0 {2,D} {3,S} {4,S} -2 CxddO 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cdd-O)HH -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,D} - - -Cds-(Cx!O)HH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!O 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cx!G4G5G6)HH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!G4G5G6 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cx2+)HH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx2+ 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - - -Chdd -1 * C 0 {2,D} {3,D} -2 Rch 0 {1,D} -3 Rch 0 {1,D} - - -Cdd-CC -1 * C 0 {2,D} {3,D} -2 C 0 {1,D} -3 C 0 {1,D} - - -Cdd-ChCh -1 * C 0 {2,D} {3,D} -2 Ch 0 {1,D} -3 Ch 0 {1,D} - - -Cdd-ChdChd -1 * C 0 {2,D} {3,D} -2 Chd 0 {1,D} -3 Chd 0 {1,D} - - -Cdd-ChdChdd -1 * C 0 {2,D} {3,D} -2 Chd 0 {1,D} -3 Chdd 0 {1,D} - - -Cdd-ChddChdd -1 * C 0 {2,D} {3,D} -2 Chdd 0 {1,D} -3 Chdd 0 {1,D} - - -Cdd-ChCx -1 * C 0 {2,D} {3,D} -2 Ch 0 {1,D} -3 Ch 0 {1,D} - - -Cdd-CxCx -1 * C 0 {2,D} {3,D} -2 Ch 0 {1,D} -3 Ch 0 {1,D} - - -Chb -1 * C 0 {2,B} {3,B} {4,S} -2 Rch 0 {1,B} -3 Rch 0 {1,B} -4 Rch 0 {1,S} - - -Cb-CCC -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 C 0 {1,S} - - -Cb-ChChCh -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 Ch 0 {1,S} - - -Cb-ChbChbChs -1 * C 0 {2,B} {3,B} {4,S} -2 Chb 0 {1,B} -3 Chb 0 {1,B} -4 Chs 0 {1,S} - - -Cb-ChbChbfChs -1 * C 0 {2,B} {3,B} {4,S} -2 Chb 0 {1,B} -3 Chbf 0 {1,B} -4 Chs 0 {1,S} - - -Cb-ChbfChbfChs -1 * C 0 {2,B} {3,B} {4,S} -2 Chbf 0 {1,B} -3 Chbf 0 {1,B} -4 Chs 0 {1,S} - - -Cb-ChbChbChd -1 * C 0 {2,B} {3,B} {4,S} -2 Chb 0 {1,B} -3 Chb 0 {1,B} -4 Chd 0 {1,S} - - -Cb-(Cb-CRch)(Cb-CRch)(Cds-CRch) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} {7,B} {9,S} -3 C 0 {1,B} {8,B} {10,S} -4 C 0 {1,S} {5,D} {6,S} -5 C 0 {4,D} -6 Rch 0 {4,S} -7 C 0 {2,B} -8 C 0 {3,B} -9 Rch 0 {2,S} -10 Rch 0 {3,S} - - -Cb-(Cb-ChRch)(Cb-ChRch)(Cds-ChRch) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} {7,B} {9,S} -3 C 0 {1,B} {8,B} {10,S} -4 C 0 {1,S} {5,D} {6,S} -5 Ch 0 {4,D} -6 Rch 0 {4,S} -7 Ch 0 {2,B} -8 Ch 0 {3,B} -9 Rch 0 {2,S} -10 Rch 0 {3,S} - - -Cb-(Cb-ChbRch)(Cb-ChbRch)(Cds-ChdRch) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} {7,B} {9,S} -3 C 0 {1,B} {8,B} {10,S} -4 C 0 {1,S} {5,D} {6,S} -5 Chd 0 {4,D} -6 Rch 0 {4,S} -7 Chb 0 {2,B} -8 Chb 0 {3,B} -9 Rch 0 {2,S} -10 Rch 0 {3,S} - - -Cb-(Cb-ChbRch)(Cb-ChbfRch)(Cds-ChdRch) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} {7,B} {9,S} -3 C 0 {1,B} {8,B} {10,S} -4 C 0 {1,S} {5,D} {6,S} -5 Chd 0 {4,D} -6 Rch 0 {4,S} -7 Chb 0 {2,B} -8 Chbf 0 {3,B} -9 Rch 0 {2,S} -10 Rch 0 {3,S} - - -Cb-(Cb-ChbfRch)(Cb-ChbfRch)(Cds-ChdRch) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} {7,B} {9,S} -3 C 0 {1,B} {8,B} {10,S} -4 C 0 {1,S} {5,D} {6,S} -5 Chd 0 {4,D} -6 Rch 0 {4,S} -7 Chbf 0 {2,B} -8 Chbf 0 {3,B} -9 Rch 0 {2,S} -10 Rch 0 {3,S} - - -Cb-(Cb-ChbRch)(Cb-ChbRch)(Cds-ChddRch) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} {7,B} {9,S} -3 C 0 {1,B} {8,B} {10,S} -4 C 0 {1,S} {5,D} {6,S} -5 Chdd 0 {4,D} -6 Rch 0 {4,S} -7 Chb 0 {2,B} -8 Chb 0 {3,B} -9 Rch 0 {2,S} -10 Rch 0 {3,S} - - -Cb-(Cb-ChbRch)(Cb-ChbfRch)(Cds-ChddRch) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} {7,B} {9,S} -3 C 0 {1,B} {8,B} {10,S} -4 C 0 {1,S} {5,D} {6,S} -5 Chdd 0 {4,D} -6 Rch 0 {4,S} -7 Chb 0 {2,B} -8 Chbf 0 {3,B} -9 Rch 0 {2,S} -10 Rch 0 {3,S} - - -Cb-(Cb-ChbfRch)(Cb-ChbfRch)(Cds-ChddRch) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} {7,B} {9,S} -3 C 0 {1,B} {8,B} {10,S} -4 C 0 {1,S} {5,D} {6,S} -5 Chdd 0 {4,D} -6 Rch 0 {4,S} -7 Chbf 0 {2,B} -8 Chbf 0 {3,B} -9 Rch 0 {2,S} -10 Rch 0 {3,S} - - -Cb-(Cb-ChRch)(Cb-CxRch)(Cds-ChRch) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} {7,B} {9,S} -3 C 0 {1,B} {8,B} {10,S} -4 C 0 {1,S} {5,D} {6,S} -5 Ch 0 {4,D} -6 Rch 0 {4,S} -7 Ch 0 {2,B} -8 Cx 0 {3,B} -9 Rch 0 {2,S} -10 Rch 0 {3,S} - - -Cb-(Cb-CxRch)(Cb-CxRch)(Cds-ChRch) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} {7,B} {9,S} -3 C 0 {1,B} {8,B} {10,S} -4 C 0 {1,S} {5,D} {6,S} -5 Ch 0 {4,D} -6 Rch 0 {4,S} -7 Cx 0 {2,B} -8 Cx 0 {3,B} -9 Rch 0 {2,S} -10 Rch 0 {3,S} - - -Cb-(Cb-ChRch)(Cb-ChRch)(Cds-CxRch) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} {7,B} {9,S} -3 C 0 {1,B} {8,B} {10,S} -4 C 0 {1,S} {5,D} {6,S} -5 Cx 0 {4,D} -6 Rch 0 {4,S} -7 Ch 0 {2,B} -8 Ch 0 {3,B} -9 Rch 0 {2,S} -10 Rch 0 {3,S} - - -Cb-(Cb-ChRch)(Cb-CxRch)(Cds-CxRch) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} {7,B} {9,S} -3 C 0 {1,B} {8,B} {10,S} -4 C 0 {1,S} {5,D} {6,S} -5 Cx 0 {4,D} -6 Rch 0 {4,S} -7 Ch 0 {2,B} -8 Cx 0 {3,B} -9 Rch 0 {2,S} -10 Rch 0 {3,S} - - -Cb-(Cb-CxRch)(Cb-CxRch)(Cds-CxRch) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} {7,B} {9,S} -3 C 0 {1,B} {8,B} {10,S} -4 C 0 {1,S} {5,D} {6,S} -5 Cx 0 {4,D} -6 Rch 0 {4,S} -7 Cx 0 {2,B} -8 Cx 0 {3,B} -9 Rch 0 {2,S} -10 Rch 0 {3,S} - - -Cb-ChbChbfChd -1 * C 0 {2,B} {3,B} {4,S} -2 Chb 0 {1,B} -3 Chbf 0 {1,B} -4 Chd 0 {1,S} - - -Cb-ChbfChbfChd -1 * C 0 {2,B} {3,B} {4,S} -2 Chbf 0 {1,B} -3 Chbf 0 {1,B} -4 Chd 0 {1,S} - - -Cb-ChbChbCht -1 * C 0 {2,B} {3,B} {4,S} -2 Chb 0 {1,B} -3 Chb 0 {1,B} -4 Cht 0 {1,S} - - -Cb-ChbChbfCht -1 * C 0 {2,B} {3,B} {4,S} -2 Chb 0 {1,B} -3 Chbf 0 {1,B} -4 Cht 0 {1,S} - - -Cb-ChbfChbfCht -1 * C 0 {2,B} {3,B} {4,S} -2 Chb 0 {1,B} -3 Chbf 0 {1,B} -4 Cht 0 {1,S} - - -Cb-ChbChbChb -1 * C 0 {2,B} {3,B} {4,S} -2 Chb 0 {1,B} -3 Chb 0 {1,B} -4 Chb 0 {1,S} - - -Cb-ChbChbfChb -1 * C 0 {2,B} {3,B} {4,S} -2 Chb 0 {1,B} -3 Chbf 0 {1,B} -4 Chb 0 {1,S} - - -Cb-ChbfChbfChb -1 * C 0 {2,B} {3,B} {4,S} -2 Chbf 0 {1,B} -3 Chbf 0 {1,B} -4 Chb 0 {1,S} - - -Cb-CxChCh -1 * C 0 {2,B} {3,B} {4,S} -2 Cx 0 {1,B} -3 Ch 0 {1,B} -4 Ch 0 {1,S} - - -Cb-ChChCx -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 Cx 0 {1,S} - - -Cb-ChCh(Cx1) -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 Cx1 0 {1,S} - - -Cb-ChCh(CxG4) -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 CxG4 0 {1,S} - - -Cb-ChCh(Cx!G4) -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 Cx!G4 0 {1,S} - - -Cb-ChCh(CxG5) -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 CxG5 0 {1,S} - - -Cb-ChCh(CxN) -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 CxN 0 {1,S} - - -Cb-ChCh(CxsN) -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 CxsN 0 {1,S} - - -Cb-ChCh(CxdN) -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 CxdN 0 {1,S} - - -Cb-ChCh(Ct-N) -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 C 0 {1,S} {5,T} -5 N 0 {4,T} - - -Cb-ChCh(CxbN) -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 CxbN 0 {1,S} - - -Cb-ChCh(Cx!N) -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 Cx!N 0 {1,S} - - -Cb-ChCh(Cx!G4G5) -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 Cx!G4G5 0 {1,S} - - -Cb-ChCh(CxG6) -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 CxG6 0 {1,S} - - -Cb-ChCh(CxO) -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 CxO 0 {1,S} - - -Cb-ChbChb(CxsO) -1 * C 0 {2,B} {3,B} {4,S} -2 Chb 0 {1,B} -3 Chb 0 {1,B} -4 CxsO 0 {1,S} - - -Cb-ChbChb(CxdO) -1 * C 0 {2,B} {3,B} {4,S} -2 Chb 0 {1,B} -3 Chb 0 {1,B} -4 CxsO 0 {1,S} - - -Cb-(Cb-CRch)(Cb-CRch)(Cds-CO) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} {5,B} {6,S} -3 C 0 {1,B} {7,B} {8,S} -4 C 0 {1,S} {9,D} {10,S} -5 C 0 {2,B} -6 Rch 0 {2,S} -7 C 0 {3,B} -8 Rch 0 {3,S} -9 C 0 {4,D} -10 O 0 {4,S} - - -Cb-(Cb-CRch)(Cb-CRch)(Cds-ORch) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} {5,B} {6,S} -3 C 0 {1,B} {7,B} {8,S} -4 C 0 {1,S} {9,D} {10,S} -5 C 0 {2,B} -6 Rch 0 {2,S} -7 C 0 {3,B} -8 Rch 0 {3,S} -9 O 0 {4,D} -10 Rch 0 {4,S} - - -Cb-ChCh(Cx!O) -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 Cx!O 0 {1,S} - - -Cb-ChCh(Cx!G4G5G6) -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 Cx!G4G5G6 0 {1,S} - - -Cb-ChCh(Cx2+) -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 Cx2+ 0 {1,S} - - -Cb-CxCxCh -1 * C 0 {2,B} {3,B} {4,S} -2 Cx 0 {1,B} -3 Cx 0 {1,B} -4 Ch 0 {1,S} - - -Cb-CxChCx -1 * C 0 {2,B} {3,B} {4,S} -2 Cx 0 {1,B} -3 Ch 0 {1,B} -4 Cx 0 {1,S} - - -Cb-CxCxCx -1 * C 0 {2,B} {3,B} {4,S} -2 Cx 0 {1,B} -3 Cx 0 {1,B} -4 Cx 0 {1,S} - - -Cb-CCH -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 H 0 {1,S} - - -Cb-ChChH -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 H 0 {1,S} - - -Cb-CxChH -1 * C 0 {2,B} {3,B} {4,S} -2 Cx 0 {1,B} -3 Ch 0 {1,B} -4 H 0 {1,S} - - -Cb-CxCxH -1 * C 0 {2,B} {3,B} {4,S} -2 Cx 0 {1,B} -3 Cx 0 {1,B} -4 H 0 {1,S} - - -Chbf -1 * C 0 {2,B} {3,B} {4,B} -2 Rch 0 {1,B} -3 Rch 0 {1,B} -4 Rch 0 {1,B} - - - -Cbf-CCC -1 * C 0 {2,B} {3,B} {4,B} -2 C 0 {1,B} -3 C 0 {1,B} -4 C 0 {1,B} - - -Cbf-ChChCh -1 * C 0 {2,B} {3,B} {4,B} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 Ch 0 {1,B} - - -Cbf-ChChCx -1 * C 0 {2,B} {3,B} {4,B} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 Cx 0 {1,B} - - -Cbf-ChCxCx -1 * C 0 {2,B} {3,B} {4,B} -2 Ch 0 {1,B} -3 Cx 0 {1,B} -4 Cx 0 {1,B} - - -Cbf-CxCxCx -1 * C 0 {2,B} {3,B} {4,B} -2 Cx 0 {1,B} -3 Cx 0 {1,B} -4 Cx 0 {1,B} - - -Cbf-ChbChbChb -1 * C 0 {2,B} {3,B} {4,B} -2 Chb 0 {1,B} -3 Chb 0 {1,B} -4 Chb 0 {1,B} - - -Cbf-ChbChbChbf -1 * C 0 {2,B} {3,B} {4,B} -2 Chb 0 {1,B} -3 Chb 0 {1,B} -4 Chbf 0 {1,B} - - -Cbf-ChbChbfChbf -1 * C 0 {2,B} {3,B} {4,B} -2 Chb 0 {1,B} -3 Chbf 0 {1,B} -4 Chbf 0 {1,B} - - -Cbf-ChbfChbfChbf -1 * C 0 {2,B} {3,B} {4,B} -2 Chbf 0 {1,B} -3 Chbf 0 {1,B} -4 Chbf 0 {1,B} - - -Cht -1 * C 0 {2,T} {3,S} -2 Rch 0 {1,T} -3 Rch 0 {1,S} - - -Ct-CC -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 C 0 {1,S} - - -Ct-ChCh -1 * C 0 {2,T} {3,S} -2 Ch 0 {1,T} -3 Ch 0 {1,S} - - -Ct-ChtChs -1 * C 0 {2,T} {3,S} -2 Cht 0 {1,T} -3 Chs 0 {1,S} - - -Ct-ChtChd -1 * C 0 {2,T} {3,S} -2 Cht 0 {1,T} -3 Chd 0 {1,S} - - -Ct-(Ct-Rch)(Cds-CRch) -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} {4,S} -3 C 0 {1,S} {5,D} {6,S} -4 Rch 0 {2,S} -5 C 0 {3,D} -6 Rch 0 {3,S} - - -Ct-(Ct-Rch)(Cds-ChRch) -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} {4,S} -3 C 0 {1,S} {5,D} {6,S} -4 Rch 0 {2,S} -5 Ch 0 {3,D} -6 Rch 0 {3,S} - - -Ct-(Ct-Rch)(Cds-ChdRch) -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} {4,S} -3 C 0 {1,S} {5,D} {6,S} -4 Rch 0 {2,S} -5 Chd 0 {3,D} -6 Rch 0 {3,S} - - -Ct-(Ct-Rch)(Cds-ChddRch) -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} {4,S} -3 C 0 {1,S} {5,D} {6,S} -4 Rch 0 {2,S} -5 Chdd 0 {3,D} -6 Rch 0 {3,S} - - -Ct-(Ct-Rch)(Cds-CxRch) -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} {4,S} -3 C 0 {1,S} {5,D} {6,S} -4 Rch 0 {2,S} -5 Cx 0 {3,D} -6 Rch 0 {3,S} - - -Ct-ChtCht -1 * C 0 {2,T} {3,S} -2 Cht 0 {1,T} -3 Chd 0 {1,S} - - -Ct-ChtChb -1 * C 0 {2,T} {3,S} -2 Cht 0 {1,T} -3 Chd 0 {1,S} - - -Ct-ChCx -1 * C 0 {2,T} {3,S} -2 Ch 0 {1,T} -3 Cx 0 {1,S} - - -Ct-Ch(Cx1) -1 * C 0 {2,T} {3,S} -2 Ch 0 {1,T} -3 Cx1 0 {1,S} - - -Ct-Ch(CxG4) -1 * C 0 {2,T} {3,S} -2 Ch 0 {1,T} -3 CxG4 0 {1,S} - - -Ct-Ch(Cx!G4) -1 * C 0 {2,T} {3,S} -2 Ch 0 {1,T} -3 Cx!G4 0 {1,S} - - -Ct-Ch(CxG5) -1 * C 0 {2,T} {3,S} -2 Ch 0 {1,T} -3 CxG5 0 {1,S} - - -Ct-Ch(CxN) -1 * C 0 {2,T} {3,S} -2 Ch 0 {1,T} -3 CxN 0 {1,S} - - -Ct-Ch(CxsN) -1 * C 0 {2,T} {3,S} -2 Ch 0 {1,T} -3 CxsN 0 {1,S} - - -Ct-Ch(CxdN) -1 * C 0 {2,T} {3,S} -2 Ch 0 {1,T} -3 CxdN 0 {1,S} - - -Ct-Ch(Ct-N) -1 * C 0 {2,T} {3,S} -2 Ch 0 {1,T} -3 C 0 {1,S} {4,T} -4 N 0 {3,T} - - -Ct-Ch(CxbN) -1 * C 0 {2,T} {3,S} -2 Ch 0 {1,T} -3 CxbN 0 {1,S} - - -Ct-Ch(Cx!N) -1 * C 0 {2,T} {3,S} -2 Ch 0 {1,T} -3 Cx!N 0 {1,S} - - -Ct-Ch(Cx!G4G5) -1 * C 0 {2,T} {3,S} -2 Ch 0 {1,T} -3 Cx!G4G5 0 {1,S} - - -Ct-Ch(Cx2+) -1 * C 0 {2,T} {3,S} -2 Ch 0 {1,T} -3 Cx2+ 0 {1,S} - - -Ct-CxCh -1 * C 0 {2,T} {3,S} -2 Cx 0 {1,T} -3 Ch 0 {1,S} - - -Ct-CxCx -1 * C 0 {2,T} {3,S} -2 Cx 0 {1,T} -3 Cx 0 {1,S} - - -Ct-CH -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 H 0 {1,S} - - -Ct-ChtH -1 * C 0 {2,T} {3,S} -2 Ch 0 {1,T} -3 H 0 {1,S} - - -Ct-CxH -1 * C 0 {2,T} {3,S} -2 Cx 0 {1,T} -3 H 0 {1,S} - - -Si -1 * Si 0 - -Sih -1 * Sih 0 - - -Sihs -1 * Si 0 {2,S} {3,S} {4,S} {5,S} -2 Rch 0 {1,S} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} - - -Sihd -1 * Si 0 {2,D} {3,S} {4,S} -2 Rch 0 {1,D} -3 Rch 0 {1,S} -4 Rch 0 {1,S} - - -Sihdd -1 * Si 0 {2,D} {3,D} -2 Rch 0 {1,D} -3 Rch 0 {1,D} - - -Siht -1 * Si 0 {2,T} {3,S} -2 Rch 0 {1,T} -3 Rch 0 {1,S} - - -Six -1 * Six 0 - - -Six1 -1 * Six1 0 - - -Six2+ -1 * Six2+ 0 - - -G5 -1 * G5 0 - - -N3 -1 * N3 0 - - -N3h -1 * N3h 0 - - -N3hs -1 * N3 0 {2,S} {3,S} {4,S} -2 Rch 0 {1,S} -3 Rch 0 {1,S} -4 Rch 0 {1,S} - - -N3s-CCC -1 * N3 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} - - -N3s-CCH -1 * N3 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 H 0 {1,S} - - -N3s-CHH -1 * N3 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - - -N3s-(Cx1)HH -1 * N3 0 {2,S} {3,S} {4,S} -2 Cx1 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - - -N3s-(Cx2+)HH -1 * N3 0 {2,S} {3,S} {4,S} -2 Cx2+ 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - - -N3s-(Cx2)HH -1 * N3 0 {2,S} {3,S} {4,S} -2 Cx2 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - - -N3s-(Cx2NO)HH -1 * N3 0 {2,S} {3,S} {4,S} -2 Cx2NO 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - - -N3s-(Cx2sNO)HH -1 * N3 0 {2,S} {3,S} {4,S} -2 Cx2sNO 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - - -N3s-(Cx2dNO)HH -1 * N3 0 {2,S} {3,S} {4,S} -2 Cx2dNO 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - - -N3s-(Cds-ORch)(H)(H) -1 * N3 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,D} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,D} -6 Rch 0 {2,S} - - -N3s-(Cds-CO)(H)(H) -1 * N3 0 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,D} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} -6 O 0 {2,S} - - -N3s-(Cx2bNO)HH -1 * N3 0 {2,S} {3,S} {4,S} -2 Cx2bNO 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - - -N3s-(Cx3)HH -1 * N3 0 {2,S} {3,S} {4,S} -2 Cx3 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - - -N3s-(Cx4)HH -1 * N3 0 {2,S} {3,S} {4,S} -2 Cx4 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - - -N3s-HHH -1 * N3 0 {2,S} {3,S} {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - - -N3hd -1 * N3 0 {2,D} {3,S} -2 Rch 0 {1,D} -3 Rch 0 {1,S} - - -N3ht -1 * N3 0 {2,T} -2 Rch 0 {1,T} - - -N3x -1 * N3x 0 - - -N3x1 -1 * N3x1 0 - - -N3xG4 -1 * N3xG4 0 - - -N3x!G4 -1 * N3x!G4 0 - - -N3xG5 -1 * N3xG5 0 - - -N3xN -1 * N3xN 0 - - -N3xN3 -1 * N3xN3 0 - - -N3xsN3 -1 * N3xsN3 0 - - -N3s-NCC -1 * N3 0 {2,S} {3,S} {4,S} -2 N 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} - - -N3s-NCH -1 * N3 0 {2,S} {3,S} {4,S} -2 N 0 {1,S} -3 C 0 {1,S} -4 H 0 {1,S} - - -N3s-NHH -1 * N3 0 {2,S} {3,S} {4,S} -2 N 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - - -N3xdN3 -1 * N3xdN3 0 - - -N3d-NC -1 * N3 0 {2,D} {3,S} -2 N 0 {1,D} -3 C 0 {1,S} - - -N3d-NH -1 * N3 0 {2,D} {3,S} -2 N 0 {1,D} -3 H 0 {1,S} - - -N3d-CN -1 * N3 0 {2,D} {3,S} -2 C 0 {1,D} -3 N 0 {1,S} - - -N3xtN3 -1 * N3xtN3 0 - - -N3t-N3 -1 * N3 0 {2,T} -2 N3 0 {1,T} - - -N3xN5 -1 * N3xN5 0 - - -N3x!N -1 * N3x!N 0 - - -N3x!G4G5 -1 * N3x!G4G5 0 - - -N3x2 -1 * N3x2 0 - - -N3x3 -1 * N3x3 0 - - -N5 -1 * N5 0 - - -N5h -1 * N5h 0 - - -N5hd -1 * N5 0 {2,D} {3,S} {4,S} {5,S} -2 Rch 0 {1,D} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} - - -N5hdd -1 * N5 0 {2,D} {3,D} {4,S} -2 Rch 0 {1,D} -3 Rch 0 {1,D} -4 Rch 0 {1,S} - - -N5htd -1 * N5 0 {2,T} {3,D} -2 Rch 0 {1,T} -3 Rch 0 {1,D} - - -N5x -1 * N5x 0 - - -N5x1 -1 * N5x1 0 - - -N5x2+ -1 * N5x2+ 0 - - -P -1 * P 0 - - -Ph -1 * Ph 0 - - -Px -1 * Px 0 - - -Ps -1 * P 0 {2,S} {3,S} {4,S} {5,S} {6,S} -2 Rch 0 {1,S} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} -6 Rch 0 {1,S} - - -Pds -1 * P 0 {2,D} {3,S} {4,S} {5,S} -2 Rch 0 {1,D} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} - - -Pdd -1 * P 0 {2,D} {3,D} {4,S} -2 Rch 0 {1,D} -3 Rch 0 {1,D} -4 Rch 0 {1,S} - - -Pts -1 * P 0 {2,T} {3,S} {4,S} -2 Rch 0 {1,T} -3 Rch 0 {1,S} -4 Rch 0 {1,S} - - -Ptd -1 * P 0 {2,T} {3,D} -2 Rch 0 {1,T} -3 Rch 0 {1,D} - - -G6 -1 * G6 0 - - -O -1 * O 0 - - -Oh -1 * Oh 0 - - -Ohs -1 * O 0 {2,S} {3,S} -2 Rch 0 {1,S} -3 Rch 0 {1,S} - - -Oss-CC -1 * O 0 {2,S} {3,S} -2 C 0 {1,S} -3 C 0 {1,S} - - -Oss-(Cx1)(Cx1) -1 * O 0 {2,S} {3,S} -2 Cx1 0 {1,S} -3 Cx1 0 {1,S} - - -Oss-(CxO)(CxO) -1 * O 0 {2,S} {3,S} -2 CxO 0 {1,S} -3 CxO 0 {1,S} - - -Oss-(CxsO)(CxsO) -1 * O 0 {2,S} {3,S} -2 CxsO 0 {1,S} -3 CxsO 0 {1,S} - - -Oss-(CxsO)(CxdO) -1 * O 0 {2,S} {3,S} -2 CxsO 0 {1,S} -3 CxdO 0 {1,S} - - -Oss-(CxsO)(Cds-ChRch) -1 * O 0 {2,S} {3,S} -2 CxsO 0 {1,S} -3 C 0 {1,S} {4,D} {5,S} -4 Ch 0 {3,D} -5 Rch 0 {3,S} - - -Oss-(CxsO)(Cds-CxRch) -1 * O 0 {2,S} {3,S} -2 CxsO 0 {1,S} -3 C 0 {1,S} {4,D} {5,S} -4 Cx 0 {3,D} -5 Rch 0 {3,S} - - -Oss-(CxsO)(CxtO) -1 * O 0 {2,S} {3,S} -2 CxsO 0 {1,S} -3 CxtO 0 {1,S} - - -Oss-(CxsO)(CxbO) -1 * O 0 {2,S} {3,S} -2 CxsO 0 {1,S} -3 CxbO 0 {1,S} - - -Oss-(CxdO)(CxdO) -1 * O 0 {2,S} {3,S} -2 CxdO 0 {1,S} -3 CxdO 0 {1,S} - - -Oss-(Cds-ChRch)(Cds-ChRch) -1 * O 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} {5,S} -3 C 0 {1,S} {6,D} {7,S} -4 Ch 0 {2,D} -5 Rch 0 {2,S} -6 Ch 0 {3,D} -7 Rch 0 {3,S} - - -Oss-(Cds-CxRch)(Cds-ChRch) -1 * O 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} {5,S} -3 C 0 {1,S} {6,D} {7,S} -4 Cx 0 {2,D} -5 Rch 0 {2,S} -6 Ch 0 {3,D} -7 Rch 0 {3,S} - - -Oss-(Cds-CxRch)(Cds-CxRch) -1 * O 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} {5,S} -3 C 0 {1,S} {6,D} {7,S} -4 Cx 0 {2,D} -5 Rch 0 {2,S} -6 Cx 0 {3,D} -7 Rch 0 {3,S} - - -Oss-(CxdO)(CxtO) -1 * O 0 {2,S} {3,S} -2 CxdO 0 {1,S} -3 CxtO 0 {1,S} - - -Oss-(CxdO)(CxbO) -1 * O 0 {2,S} {3,S} -2 CxdO 0 {1,S} -3 CxbO 0 {1,S} - - -Oss-(CxtO)(CxtO) -1 * O 0 {2,S} {3,S} -2 CxtO 0 {1,S} -3 CxtO 0 {1,S} - - -Oss-(CxtO)(CxbO) -1 * O 0 {2,S} {3,S} -2 CxtO 0 {1,S} -3 CxbO 0 {1,S} - - -Oss-(CxbO)(CxbO) -1 * O 0 {2,S} {3,S} -2 CxbO 0 {1,S} -3 CxbO 0 {1,S} - - -Oss-(Cx2+)(Cx1) -1 * O 0 {2,S} {3,S} -2 Cx2+ 0 {1,S} -3 Cx1 0 {1,S} - - -Oss-(Cx2OO)(Cx1) -1 * O 0 {2,S} {3,S} -2 Cx2OO 0 {1,S} -3 Cx1 0 {1,S} - - -Oss-(Cx2sOO)(Cx1) -1 * O 0 {2,S} {3,S} -2 Cx2sOO 0 {1,S} -3 Cx1 0 {1,S} - - -Oss-(Cx2dOO)(Cx1) -1 * O 0 {2,S} {3,S} -2 Cx2dOO 0 {1,S} -3 Cx1 0 {1,S} - - -Oss-(Cds-ORch)(Cx1) -1 * O 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} {5,S} -3 Cx1 0 {1,S} -4 O 0 {2,D} -5 Rch 0 {2,S} - - -Oss-(Cds-ORch)(CxO) -1 * O 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} {5,S} -3 CxO 0 {1,S} -4 O 0 {2,D} -5 Rch 0 {2,S} - - -Oss-(Cds-ORch)(CxsO) -1 * O 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} {5,S} -3 CxsO 0 {1,S} -4 O 0 {2,D} -5 Rch 0 {2,S} - - -Oss-(Cds-ORch)(CxdO) -1 * O 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} {5,S} -3 CxdO 0 {1,S} -4 O 0 {2,D} -5 Rch 0 {2,S} - - -Oss-(Cds-ORch)(CxtO) -1 * O 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} {5,S} -3 CxtO 0 {1,S} -4 O 0 {2,D} -5 Rch 0 {2,S} - - -Oss-(Cds-ORch)(CxbO) -1 * O 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} {5,S} -3 CxbO 0 {1,S} -4 O 0 {2,D} -5 Rch 0 {2,S} - - -Oss-(Cds-CO)(Cx1) -1 * O 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} {5,S} -3 Cx1 0 {1,S} -4 C 0 {2,D} -5 O 0 {2,S} - - -Oss-(Cx2bOO)(Cx1) -1 * O 0 {2,S} {3,S} -2 Cx2OO 0 {1,S} -3 Cx1 0 {1,S} - - -Oss-(Cx2+)(Cx2+) -1 * O 0 {2,S} {3,S} -2 Cx2+ 0 {1,S} -3 Cx2+ 0 {1,S} - - -Oss-(Cx2OO)(Cx2OO) -1 * O 0 {2,S} {3,S} -2 Cx2OO 0 {1,S} -3 Cx2OO 0 {1,S} - - -Oss-(Cx2dOO)(Cx2dOO) -1 * O 0 {2,S} {3,S} -2 Cx2dOO 0 {1,S} -3 Cx2dOO 0 {1,S} - - -Oss-(Cds-ORch)(Cds-ORch) -1 * O 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} {5,S} -3 C 0 {1,S} {6,D} {7,S} -4 O 0 {2,D} -5 Rch 0 {2,S} -6 O 0 {3,D} -7 Rch 0 {3,S} - - -Oss-(Cds-ORch)(Cds-CO) -1 * O 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} {5,S} -3 C 0 {1,S} {6,D} {7,S} -4 O 0 {2,D} -5 Rch 0 {2,S} -6 C 0 {3,D} -7 O 0 {3,S} - - -Oss-(Cds-CO)(Cds-CO) -1 * O 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} {5,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {2,D} -5 O 0 {2,S} -6 C 0 {3,D} -7 O 0 {3,S} - - -Oss-CH -1 * O 0 {2,S} {3,S} -2 C 0 {1,S} -3 H 0 {1,S} - - -Oss-(Cx1)H -1 * O 0 {2,S} {3,S} -2 Cx1 0 {1,S} -3 H 0 {1,S} - - -Oss-(CxO)H -1 * O 0 {2,S} {3,S} -2 CxO 0 {1,S} -3 H 0 {1,S} - - -Oss-(CxsO)H -1 * O 0 {2,S} {3,S} -2 CxsO 0 {1,S} -3 H 0 {1,S} - - -Oss-(CxdO)H -1 * O 0 {2,S} {3,S} -2 CxdO 0 {1,S} -3 H 0 {1,S} - - -Oss-(Cds-ChRch)H -1 * O 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} {5,S} -3 H 0 {1,S} -4 Ch 0 {2,D} -5 Rch 0 {2,S} - - -Oss-(Cds-CxRch)H -1 * O 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} {5,S} -3 H 0 {1,S} -4 Cx 0 {2,D} -5 Rch 0 {2,S} - - -Oss-(CxtO)H -1 * O 0 {2,S} {3,S} -2 CxtO 0 {1,S} -3 H 0 {1,S} - - -Oss-(CxbO)H -1 * O 0 {2,S} {3,S} -2 CxbO 0 {1,S} -3 H 0 {1,S} - - -Oss-(Cx2+)H -1 * O 0 {2,S} {3,S} -2 Cx2+ 0 {1,S} -3 H 0 {1,S} - - -Oss-(Cx2OO)H -1 * O 0 {2,S} {3,S} -2 Cx2OO 0 {1,S} -3 H 0 {1,S} - - -Oss-(Cx2sOO)H -1 * O 0 {2,S} {3,S} -2 Cx2sOO 0 {1,S} -3 H 0 {1,S} - - -Oss-(Cx2dOO)H -1 * O 0 {2,S} {3,S} -2 Cx2dOO 0 {1,S} -3 H 0 {1,S} - - -Oss-(Cds-ORch)H -1 * O 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} {5,S} -3 H 0 {1,S} -4 O 0 {2,D} -5 Rch 0 {2,S} - - -Oss-(Cds-CO)H -1 * O 0 {2,S} {3,S} -2 C 0 {1,S} {4,D} {5,S} -3 H 0 {1,S} -4 C 0 {2,D} -5 O 0 {2,S} - - -Oss-(Cx2bOO)H -1 * O 0 {2,S} {3,S} -2 Cx2bOO 0 {1,S} -3 H 0 {1,S} - - -Oss-HH -1 * O 0 {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - - -Ohd -1 * O 0 {2,D} -2 Rch 0 {1,D} - - -Od-C -1 * O 0 {2,D} -2 C 0 {1,D} - - -Od-(Cx1) -1 * O 0 {2,D} -2 Cx1 0 {1,D} - - -Od-(CxO) -1 * O 0 {2,D} -2 CxO 0 {1,D} - - -Od-(Cds-RchRch) -1 * O 0 {2,D} -2 C 0 {1,D} {3,S} {4,S} -3 Rch 0 {2,S} -4 Rch 0 {2,S} - - -Od-(Cdd-C) -1 * O 0 {2,D} -2 C 0 {1,D} {3,D} -3 C 0 {2,D} - - -Od-(Cx2+) -1 * O 0 {2,D} -2 Cx2+ 0 {1,D} - - -Ohb -1 * Oar 0 {2,B} {3,B} -2 Rch 0 {1,B} -3 Rch 0 {1,B} - - -Ox -1 * Ox 0 - - -Ox1 -1 * Ox1 0 - - -OxO -1 * OxO 0 - - -OxsO -1 * O 0 {2,S} {3,S} -2 O 0 {1,S} -3 Rch 0 {1,S} - - -Oss-OC -1 * O 0 {2,S} {3,S} -2 O 0 {1,S} -3 C 0 {1,S} - - -Oss-(OxO)(CxO) -1 * O 0 {2,S} {3,S} -2 OxO 0 {1,S} -3 CxO 0 {1,S} - - -Oss-(Oss-Rch)(CxsO) -1 * O 0 {2,S} {3,S} -2 O 0 {1,S} {4,S} -3 CxsO 0 {1,S} -4 Rch 0 {2,S} - - -Oss-(Oss-Rch)(CxdO) -1 * O 0 {2,S} {3,S} -2 O 0 {1,S} {4,S} -3 CxdO 0 {1,S} -4 Rch 0 {2,S} - - -Oss-(Oss-Rch)(Cds-ChRch) -1 * O 0 {2,S} {3,S} -2 O 0 {1,S} {4,S} -3 C 0 {1,S} {5,D} {6,S} -4 Rch 0 {2,S} -5 Ch 0 {3,D} -6 Rch 0 {3,S} - - -Oss-(Oss-Rch)(Cds-CxRch) -1 * O 0 {2,S} {3,S} -2 O 0 {1,S} {4,S} -3 C 0 {1,S} {5,D} {6,S} -4 Rch 0 {2,S} -5 Cx 0 {3,D} -6 Rch 0 {3,S} - - -Oss-(Oss-Rch)(CxtO) -1 * O 0 {2,S} {3,S} -2 O 0 {1,S} {4,S} -3 CxtO 0 {1,S} -4 Rch 0 {2,S} - - -Oss-(Oss-Rch)(CxbO) -1 * O 0 {2,S} {3,S} -2 O 0 {1,S} {4,S} -3 CxbO 0 {1,S} -4 Rch 0 {2,S} - - -Oss-(OxO)(Cx2+) -1 * O 0 {2,S} {3,S} -2 OxO 0 {1,S} -3 Cx2+ 0 {1,S} - - -Oss-(Oss-Rch)(Cx2) -1 * O 0 {2,S} {3,S} -2 O 0 {1,S} {4,S} -3 Cx2 0 {1,S} -4 Rch 0 {2,S} - - -Oss-(Oss-Rch)(Cx2OO) -1 * O 0 {2,S} {3,S} -2 O 0 {1,S} {4,S} -3 Cx2OO 0 {1,S} -4 Rch 0 {2,S} - - -Oss-(Oss-Rch)(Cx2sOO) -1 * O 0 {2,S} {3,S} -2 O 0 {1,S} {4,S} -3 Cx2sOO 0 {1,S} -4 Rch 0 {2,S} - - -Oss-(Oss-Rch)(Cx2dOO) -1 * O 0 {2,S} {3,S} -2 O 0 {1,S} {4,S} -3 Cx2dOO 0 {1,S} -4 Rch 0 {2,S} - - -Oss-(Oss-Rch)(Cds-ORch) -1 * O 0 {2,S} {3,S} -2 O 0 {1,S} {4,S} -3 C 0 {1,S} {5,D} {6,S} -4 Rch 0 {2,S} -5 O 0 {3,D} -6 Rch 0 {3,S} - - -Oss-(Oss-Rch)(Cds-CO) -1 * O 0 {2,S} {3,S} -2 O 0 {1,S} {4,S} -3 C 0 {1,S} {5,D} {6,S} -4 Rch 0 {2,S} -5 C 0 {3,D} -6 O 0 {3,S} - - -Oss-(Oss-Rch)(Cx2bOO) -1 * O 0 {2,S} {3,S} -2 O 0 {1,S} {4,S} -3 Cx2bOO 0 {1,S} -4 Rch 0 {2,S} - - -Oss-(Oss-Rch)(Cx3) -1 * O 0 {2,S} {3,S} -2 O 0 {1,S} {4,S} -3 Cx3 0 {1,S} -4 Rch 0 {2,S} - - -Oss-(Oss-Rch)(Cx4) -1 * O 0 {2,S} {3,S} -2 O 0 {1,S} {4,S} -3 Cx4 0 {1,S} -4 Rch 0 {2,S} - - -Oss-(Ox2)(CxO) -1 * O 0 {2,S} {3,S} -2 Ox2 0 {1,S} -3 CxO 0 {1,S} - - -Oss-(Ox2)(Cx2+) -1 * O 0 {2,S} {3,S} -2 Ox2 0 {1,S} -3 Cx2+ 0 {1,S} - - -Oss-OH -1 * O 0 {2,S} {3,S} -2 O 0 {1,S} -3 H 0 {1,S} - - -Od-O -1 * O 0 {2,D} -2 O 0 {1,D} - - -Ox2 -1 * Ox2 0 - - -Oss-OO -1 * O 0 {2,S} {3,S} -2 O 0 {1,S} -3 O 0 {1,S} - - -S2 -1 * S2 0 - - -S2h -1 * S2h 0 - - -S2hs -1 * S2 0 {2,S} {3,S} -2 Rch 0 {1,S} -3 Rch 0 {1,S} - - -S2hd -1 * S2 0 {2,D} -2 Rch 0 {1,D} - - -S2x -1 * S2x 0 - - -S6 -1 * S6 0 - - -S6h -1 * S6h 0 - - -S6hs -1 * S6 0 {2,S} {3,S} {4,S} {5,S} {6,S} {7,S} -2 Rch 0 {1,S} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} -6 Rch 0 {1,S} -7 Rch 0 {1,S} - - -S6hds -1 * S6 0 {2,D} {3,S} {4,S} {5,S} {6,S} -2 Rch 0 {1,D} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} -6 Rch 0 {1,S} - - -S6hdd -1 * S6 0 {2,D} {3,D} {4,S} {5,S} -2 Rch 0 {1,D} -3 Rch 0 {1,D} -4 Rch 0 {1,S} -5 Rch 0 {1,S} - - -S6x -1 * S6x 0 - - -G7 -1 * G7 0 - - -F -1 * F 0 - - -Fh -1 * Fh 0 - - -F-C -1 * F 0 {2,S} -2 C 0 {1,S} - - -F-Cx1 -1 * F 0 {2,S} -2 Cx1 0 {1,S} - - -F-Cx2+ -1 * F 0 {2,S} -2 Cx2+ 0 {1,S} - - -F-H -1 * F 0 {2,S} -2 H 0 {1,S} - - -Fx -1 * Fx 0 - - -Cl -1 * Cl 0 - - -Clh -1 * Clh 0 - - -Cl-C -1 * Cl 0 {2,S} -2 C 0 {1,S} - - -Cl-Cx1 -1 * Cl 0 {2,S} -2 Cx1 0 {1,S} - - -Cl-Cx2+ -1 * Cl 0 {2,S} -2 Cx2+ 0 {1,S} - - -Cl-H -1 * Cl 0 {2,S} -2 H 0 {1,S} - - -Clx -1 * Clx 0 - - -Br -1 * Br 0 - - -I -1 * I 0 - - -Cx -1 * Cx 0 - - -Cx1 -1 * Cx1 0 - - -CxG4 -1 * CxG4 0 - - -CxSi -1 * CxSi 0 - - -Cx!Si -1 * Cx!Si 0 - - -Cx!G4 -1 * Cx!G4 0 - - -CxG5 -1 * CxG5 0 - - -CxN -1 * CxN 0 - - -CxsN -1 * CxsN 0 - - -Css-NRchRchRch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N 0 {1,S} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} - - -Css-N3hRchRchRch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3h 0 {1,S} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} - - -Css-N3hCCC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3h 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {1,S} - - -Css-N3hCCH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3h 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 H 0 {1,S} - - -Css-N3hCHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3h 0 {1,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-N3hHHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3h 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-N3xRchRchRch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3x 0 {1,S} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} - - -Css-(N3x1)RchRchRch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3x1 0 {1,S} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} - - -Css-(N3xO)RchRchRch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3xO 0 {1,S} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} - - -Css-(N3xsO)RchRchRch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3xsO 0 {1,S} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} - - -Css-(N3d-O)RchRchRch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3 0 {1,S} {6,D} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} -6 O 0 {2,D} - - -Css-(N3d-O)CCC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3 0 {1,S} {6,D} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {1,S} -6 O 0 {2,D} - - -Css-(N3d-O)CCH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3 0 {1,S} {6,D} -3 C 0 {1,S} -4 C 0 {1,S} -5 H 0 {1,S} -6 O 0 {2,D} - - -Css-(N3d-O)CHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3 0 {1,S} {6,D} -3 C 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {2,D} - - -Css-(N3d-O)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3 0 {1,S} {6,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {2,D} - - -Css-(N3xN)RchRchRch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3xN 0 {1,S} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} - - -Css-(N3xsN)RchRchRch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3xsN 0 {1,S} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} - - -Css-(N3d-N)RchRchRch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3 0 {1,S} {6,D} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} -6 N 0 {2,D} - - -Css-(N3d-N)CCC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3 0 {1,S} {6,D} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {1,S} -6 N 0 {2,D} - - -Css-(N3d-N)CCH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3 0 {1,S} {6,D} -3 C 0 {1,S} -4 C 0 {1,S} -5 H 0 {1,S} -6 N 0 {2,D} - - -Css-(N3d-N)CHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3 0 {1,S} {6,D} -3 C 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 N 0 {2,D} - - -Css-(N3d-N)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3 0 {1,S} {6,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 N 0 {2,D} - - -Css-(N3x2)RchRchRch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N3x2 0 {1,S} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} - - -Css-N5hRchRchRch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N5h 0 {1,S} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} - - -Css-N5xRchRchRch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N5x 0 {1,S} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} - - -Css-(N5x1)RchRchRch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N5x1 0 {1,S} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} - - -Css-(N5x2)RchRchRch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N5x2 0 {1,S} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} - - -Css-(N5x2OO)RchRchRch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N5x2OO 0 {1,S} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} - - -Css-(N5x2dOO)RchRchRch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N5x2dOO 0 {1,S} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} - - -Css-(N5dd-OO)RchRchRch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N5 0 {1,S} {6,D} {7,D} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} -6 O 0 {2,D} -7 O 0 {2,D} - - -Css-(N5dd-OO)CCC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N5 0 {1,S} {6,D} {7,D} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {1,S} -6 O 0 {2,D} -7 O 0 {2,D} - - -Css-(N5dd-OO)CCH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N5 0 {1,S} {6,D} {7,D} -3 C 0 {1,S} -4 C 0 {1,S} -5 H 0 {1,S} -6 O 0 {2,D} -7 O 0 {2,D} - - -Css-(N5dd-OO)CHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N5 0 {1,S} {6,D} {7,D} -3 C 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {2,D} -7 O 0 {2,D} - - -Css-(N5dd-OO)HHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N5 0 {1,S} {6,D} {7,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {2,D} -7 O 0 {2,D} - - -Css-(N5x3)RchRchRch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 N5x3 0 {1,S} -3 Rch 0 {1,S} -4 Rch 0 {1,S} -5 Rch 0 {1,S} - - -CxdN -1 * CxdN 0 - - -Cds-NRchRch -1 * C 0 {2,D} {3,S} {4,S} -2 N 0 {1,D} -3 Rch 0 {1,S} -4 Rch 0 {1,S} - - -Cds-NCC -1 * C 0 {2,D} {3,S} {4,S} -2 N 0 {1,D} -3 C 0 {1,S} -4 C 0 {1,S} - - -Cds-NCH -1 * C 0 {2,D} {3,S} {4,S} -2 N 0 {1,D} -3 C 0 {1,S} -4 H 0 {1,S} - - -Cds-NHH -1 * C 0 {2,D} {3,S} {4,S} -2 N 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - - -Cds-CNRch -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N 0 {1,S} -4 Rch 0 {1,S} - - -Cds-CN3hRch -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N3h 0 {1,S} -4 Rch 0 {1,S} - - -Cds-CN3hC -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N3h 0 {1,S} -4 C 0 {1,S} - - -Cds-CN3hH -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N3h 0 {1,S} -4 H 0 {1,S} - - -Cds-CN3xRch -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N3x 0 {1,S} -4 Rch 0 {1,S} - - -Cds-C(N3x1)Rch -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N3x1 0 {1,S} -4 Rch 0 {1,S} - - -Cds-C(N3xO)Rch -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N3xO 0 {1,S} -4 Rch 0 {1,S} - - -Cds-C(N3xsO)Rch -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N3xsO 0 {1,S} -4 Rch 0 {1,S} - - -Cds-C(N3d-O)Rch -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N3 0 {1,S} {5,D} -4 Rch 0 {1,S} -5 O 0 {3,D} - - -Cds-C(N3d-O)C -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N3 0 {1,S} {5,D} -4 C 0 {1,S} -5 O 0 {3,D} - - -Cds-C(N3d-O)H -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N3 0 {1,S} {5,D} -4 H 0 {1,S} -5 O 0 {3,D} - - -Cds-C(N3xN)Rch -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N3xN 0 {1,S} -4 Rch 0 {1,S} - - -Cds-C(N3xsN)Rch -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N3xsN 0 {1,S} -4 Rch 0 {1,S} - - -Cds-C(N3d-N)Rch -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N3 0 {1,S} {5,D} -4 Rch 0 {1,S} -5 N 0 {3,D} - - -Cds-C(N3d-N)C -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N3 0 {1,S} {5,D} -4 C 0 {1,S} -5 N 0 {3,D} - - -Cds-C(N3d-N)H -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N3 0 {1,S} {5,D} -4 H 0 {1,S} -5 N 0 {3,D} - - -Cds-C(N3x2)Rch -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N3x2 0 {1,S} -4 Rch 0 {1,S} - - -Cds-CN5hRch -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N5h 0 {1,S} -4 Rch 0 {1,S} - - -Cds-CN5xRch -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N5x 0 {1,S} -4 Rch 0 {1,S} - - -Cds-C(N5x1)Rch -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N5x1 0 {1,S} -4 Rch 0 {1,S} - - -Cds-C(N5x2)Rch -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N5x2 0 {1,S} -4 Rch 0 {1,S} - - -Cds-C(N5x2OO)Rch -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N5x2OO 0 {1,S} -4 Rch 0 {1,S} - - -Cds-C(N5x2dOO)Rch -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N5x2dOO 0 {1,S} -4 Rch 0 {1,S} - - -Cds-C(N5dd-OO)Rch -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N5 0 {1,S} {5,D} {6,D} -4 Rch 0 {1,S} -5 O 0 {3,D} -6 O 0 {3,D} - - -Cds-C(N5dd-OO)C -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N5 0 {1,S} {5,D} {6,D} -4 C 0 {1,S} -5 O 0 {3,D} -6 O 0 {3,D} - - -Cds-C(N5dd-OO)H -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N5 0 {1,S} {5,D} {6,D} -4 H 0 {1,S} -5 O 0 {3,D} -6 O 0 {3,D} - - -Cds-C(N5x3)Rch -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N5x3 0 {1,S} -4 Rch 0 {1,S} - - -CxddN -1 * CxddN 0 - - -Cdd-NC -1 * C 0 {2,D} {3,D} -2 N 0 {1,D} -3 C 0 {1,D} - - -CxtN -1 * CxtN 0 - - -Ct-NRch -1 * C 0 {2,T} {3,S} -2 N 0 {1,T} -3 Rch 0 {1,S} - - -Ct-NC -1 * C 0 {2,T} {3,S} -2 N 0 {1,T} -3 C 0 {1,S} - - -Ct-NH -1 * C 0 {2,T} {3,S} -2 N 0 {1,T} -3 H 0 {1,S} - - -Ct-CN -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 N 0 {1,S} - - -Ct-CN3h -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 N3h 0 {1,S} - - -Ct-CN3x -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 N3x 0 {1,S} - - -Ct-C(N3x1) -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 N3x1 0 {1,S} - - -Ct-C(N3xO) -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 N3xO 0 {1,S} - - -Ct-C(N3xsO) -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 N3xsO 0 {1,S} - - -Ct-C(N3d-O) -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 N3 0 {1,S} {4,D} -4 O 0 {3,D} - - -Ct-C(N3xN) -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 N3xN 0 {1,S} - - -Ct-C(N3xsN) -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 N3xsN 0 {1,S} - - -Ct-C(N3d-N) -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 N3 0 {1,S} {4,D} -4 N 0 {3,D} - - -Ct-C(N3x2) -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 N3x2 0 {1,S} - - -Ct-CN5h -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 N5h 0 {1,S} - - -Ct-CN5x -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 N5x 0 {1,S} - - -Ct-C(N5x1) -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 N5x1 0 {1,S} - - -Ct-C(N5x2) -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 N5x2 0 {1,S} - - -Ct-C(N5x2OO) -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 N5x2OO 0 {1,S} - - -Ct-C(N5x2dOO) -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 N5x2dOO 0 {1,S} - - -Ct-C(N5dd-OO) -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 N5 0 {1,S} {4,D} {5,D} -4 O 0 {3,D} -5 O 0 {3,D} - - -Ct-C(N5x3) -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 N5x3 0 {1,S} - - -CxbN -1 * CxbN 0 - - -Cb-NCRch -1 * C 0 {2,B} {3,B} {4,S} -2 N 0 {1,B} -3 C 0 {1,B} -4 Rch 0 {1,S} - - -Cb-CCN -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 N 0 {1,S} - - -Cb-CCN3h -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 N3h 0 {1,S} - - -Cb-CCN3x -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 N3x 0 {1,S} - - -Cb-CC(N3x1) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 N3x1 0 {1,S} - - -Cb-CC(N3xO) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 N3xO 0 {1,S} - - -Cb-CC(N3xsO) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 N3xsO 0 {1,S} - - -Cb-CC(N3d-O) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 N3 0 {1,S} {5,D} -5 O 0 {4,D} - - -Cb-CC(N3xN) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 N3xN 0 {1,S} - - -Cb-CC(N3xsN) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 N3xsN 0 {1,S} - - -Cb-CC(N3d-N) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 N3 0 {1,S} {5,D} -5 N 0 {4,D} - - -Cb-CC(N3x2) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 N3x2 0 {1,S} - - -Cb-CCN5h -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 N5h 0 {1,S} - - -Cb-CCN5x -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 N5x 0 {1,S} - - -Cb-CC(N5x1) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 N5x1 0 {1,S} - - -Cb-CC(N5x2) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 N5x2 0 {1,S} - - -Cb-CC(N5x2OO) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 N5x2OO 0 {1,S} - - -Cb-CC(N5x2dOO) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 N5x2dOO 0 {1,S} - - -Cb-CC(N5dd-OO) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 N5 0 {1,S} {5,D} {6,D} -5 O 0 {4,D} -6 O 0 {4,D} - - -Cb-CC(N5x3) -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 N5x3 0 {1,S} - - -Cx!N -1 * Cx!N 0 - - -CxP -1 * CxP 0 - - -Cx!NP -1 * Cx!NP 0 - - -Cx!G4G5 -1 * Cx!G4G5 0 - - -CxG6 -1 * CxG6 0 - - -CxO -1 * CxO 0 - - -CxsO -1 * CxsO 0 - - -Css-OCCC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {1,S} - - -Css-OhChChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-OhChsChsChs -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 Chs 0 {1,S} - - -Css-OhChsChsChd -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 Chd 0 {1,S} - - -Css-OhChsChs(Cds-ChRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 Ch 0 {5,D} -7 Rch 0 {5,S} - - -Css-OhChsChs(Cds-ChdRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 Chd 0 {5,D} -7 Rch 0 {5,S} - - -Css-OhChsChs(Cds-ChddRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 Chdd 0 {5,D} -7 Rch 0 {5,S} - - -Css-OhChsChs(Cds-(Cdd-Ch)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 C 0 {5,D} {8,D} -7 Rch 0 {5,S} -8 Ch 0 {6,D} - - -Css-OhChsChs(Cds-(Cdd-Cx)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 C 0 {5,D} {8,D} -7 Rch 0 {5,S} -8 Cx 0 {6,D} - - -Css-OhChsChs(Cds-CxRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 Cx 0 {5,D} -7 Rch 0 {5,S} - - -Css-OhChsChs(Cds-(Cx1)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 Cx1 0 {5,D} -7 Rch 0 {5,S} - - -Css-OhChsChs(Cds-(CxO)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 CxO 0 {5,D} -7 Rch 0 {5,S} - - -Css-OhChsChs(Cds-(CxdO)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 CxdO 0 {5,D} -7 Rch 0 {5,S} - - -Css-OhChsChs(Cds-(CxddO)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 CxddO 0 {5,D} -7 Rch 0 {5,S} - - -Css-OhChsChs(Cds-(Cdd-O)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 C 0 {5,D} {8,D} -7 Rch 0 {5,S} -8 O 0 {6,D} - - -Css-OhChsChs(Cds-(Cx2+)Rch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 C 0 {1,S} {6,D} {7,S} -6 Cx2+ 0 {5,D} -7 Rch 0 {5,S} - - -Css-OhChsChsCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 Cht 0 {1,S} - - -Css-OhChsChsChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 Chb 0 {1,S} - - -Css-OhChsChdChd -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chd 0 {1,S} -5 Chd 0 {1,S} - - -Css-OhChs(Cds-ChRch)(Cds-ChRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 Ch 0 {4,D} -7 Rch 0 {4,S} -8 Ch 0 {5,D} -9 Rch 0 {5,S} - - -Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 Chd 0 {4,D} -7 Rch 0 {4,S} -8 Chd 0 {5,D} -9 Rch 0 {5,S} - - -Css-OhChs(Cds-ChddRch)(Cds-ChdRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 Chdd 0 {4,D} -7 Rch 0 {4,S} -8 Chd 0 {5,D} -9 Rch 0 {5,S} - - -Css-OhChs(Cds-ChddRch)(Cds-ChddRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 Chdd 0 {4,D} -7 Rch 0 {4,S} -8 Chdd 0 {5,D} -9 Rch 0 {5,S} - - -Css-OhChs(Cds-CxRch)(Cds-ChRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 Cx 0 {4,D} -7 Rch 0 {4,S} -8 Ch 0 {5,D} -9 Rch 0 {5,S} - - -Css-OhChs(Cds-CxRch)(Cds-CxRch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 C 0 {1,S} {8,D} {9,S} -6 Cx 0 {4,D} -7 Rch 0 {4,S} -8 Cx 0 {5,D} -9 Rch 0 {5,S} - - -Css-OhChsChdCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chd 0 {1,S} -5 Cht 0 {1,S} - - -Css-OhChsChdChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chd 0 {1,S} -5 Chb 0 {1,S} - - -Css-OhChsChtCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Cht 0 {1,S} -5 Cht 0 {1,S} - - -Css-OhChsChtChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Cht 0 {1,S} -5 Chb 0 {1,S} - - -Css-OhChsChbChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chb 0 {1,S} -5 Chb 0 {1,S} - - -Css-OhChdChdChd -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chd 0 {1,S} -4 Chd 0 {1,S} -5 Chd 0 {1,S} - - -Css-OhChdChdCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chd 0 {1,S} -4 Chd 0 {1,S} -5 Cht 0 {1,S} - - -Css-OhChdChdChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chd 0 {1,S} -4 Chd 0 {1,S} -5 Chb 0 {1,S} - - -Css-OhChdChtCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chd 0 {1,S} -4 Cht 0 {1,S} -5 Cht 0 {1,S} - - -Css-OhChdChtChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chd 0 {1,S} -4 Cht 0 {1,S} -5 Chb 0 {1,S} - - -Css-OhChdChbChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chd 0 {1,S} -4 Chb 0 {1,S} -5 Chb 0 {1,S} - - -Css-OhChtChtCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cht 0 {1,S} -4 Cht 0 {1,S} -5 Cht 0 {1,S} - - -Css-OhChtChtChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cht 0 {1,S} -4 Cht 0 {1,S} -5 Chb 0 {1,S} - - -Css-OhChtChbChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cht 0 {1,S} -4 Chb 0 {1,S} -5 Chb 0 {1,S} - - -Css-OhChbChbChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chb 0 {1,S} -4 Chb 0 {1,S} -5 Chb 0 {1,S} - - -Css-OhCxChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-Oh(Cx1)ChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx1 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-Oh(CxG4)ChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 CxG4 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-Oh(Cx!G4)ChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx!G4 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-Oh(CxG5)ChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 CxG5 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-Oh(Cx!G4G5)ChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx!G4G5 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-Oh(CxG6)ChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 CxG6 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-Oh(CxO)ChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 CxO 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-Oh(CxsO)ChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 CxsO 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-Oh(CxdO)ChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 CxdO 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-Oh(Cds-ORch)ChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} - - -Css-Oh(Cds-ORch)ChsChs -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 Chs 0 {1,S} -5 Chs 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} - - -Css-Oh(Cds-CO)ChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} -6 C 0 {3,D} -7 O 0 {3,S} - - -Css-Oh(CxbO)ChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 CxbO 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-Oh(Cx!O)ChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx!O 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-Oh(Cx!G4G5G6)ChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx!G4G5G6 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-Oh(Cx2+)ChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx2+ 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-OhCxCxCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx 0 {1,S} -4 Cx 0 {1,S} -5 Ch 0 {1,S} - - -Css-OhCxCxCx -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx 0 {1,S} -4 Cx 0 {1,S} -5 Cx 0 {1,S} - - -Css-OxChChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-OxCxChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Cx 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-OxCxCxCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Cx 0 {1,S} -4 Cx 0 {1,S} -5 Ch 0 {1,S} - - -Css-OxCxCxCx -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Cx 0 {1,S} -4 Cx 0 {1,S} -5 Cx 0 {1,S} - - -Css-OCCH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 H 0 {1,S} - - -Css-OhChChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-OhChsChsH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chs 0 {1,S} -5 H 0 {1,S} - - -Css-OhChsChdH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chd 0 {1,S} -5 H 0 {1,S} - - -Css-OhChs(Cds-ChRch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 Ch 0 {4,D} -7 Rch 0 {4,S} - - -Css-OhChs(Cds-ChdRch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 Chd 0 {4,D} -7 Rch 0 {4,S} - - -Css-OhChs(Cds-ChddRch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 Chdd 0 {4,D} -7 Rch 0 {4,S} - - -Css-OhChs(Cds-CxRch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 Cx 0 {4,D} -7 Rch 0 {4,S} - - -Css-OhChs(Cds-(Cx1)Rch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 Cx1 0 {4,D} -7 Rch 0 {4,S} - - -Css-OhChs(Cds-(CxO)Rch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 CxO 0 {4,D} -7 Rch 0 {4,S} - - -Css-OhChs(Cds-(CxdO)Rch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 CxdO 0 {4,D} -7 Rch 0 {4,S} - - -Css-OhChs(Cds-(Cdd-O)Rch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 C 0 {4,D} {8,D} -7 Rch 0 {4,S} -8 O 0 {6,D} - - -Css-OhChs(Cds-(Cx2+)Rch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 C 0 {1,S} {6,D} {7,S} -5 H 0 {1,S} -6 Cx2+ 0 {4,D} -7 Rch 0 {4,S} - - -Css-OhChsChtH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Cht 0 {1,S} -5 H 0 {1,S} - - -Css-OhChsChbH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 Chb 0 {1,S} -5 H 0 {1,S} - - -Css-OhChdChdH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chd 0 {1,S} -4 Chd 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(Cds-ChRch)(Cds-ChRch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Ch 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Css-Oh(Cds-ChdRch)(Cds-ChdRch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Chd 0 {3,D} -7 Rch 0 {3,S} -8 Chd 0 {4,D} -9 Rch 0 {4,S} - - -Css-Oh(Cds-ChddRch)(Cds-ChdRch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Chdd 0 {3,D} -7 Rch 0 {3,S} -8 Chd 0 {4,D} -9 Rch 0 {4,S} - - -Css-Oh(Cds-ChddRch)(Cds-ChddRch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Chdd 0 {3,D} -7 Rch 0 {3,S} -8 Chdd 0 {4,D} -9 Rch 0 {4,S} - - -Css-Oh(Cds-CxRch)(Cds-ChRch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Cx 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Css-Oh(Cds-(Cx1)Rch)(Cds-ChRch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Cx1 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Css-Oh(Cds-(CxO)Rch)(Cds-ChRch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 CxO 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Css-Oh(Cds-(CxdO)Rch)(Cds-ChRch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 CxdO 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Css-Oh(Cds-(Cdd-O)Rch)(Cds-ChRch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 C 0 {3,D} {10,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} -10 O 0 {6,D} - - -Css-Oh(Cds-(Cx2+)Rch)(Cds-ChRch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Cx2+ 0 {3,D} -7 Rch 0 {3,S} -8 Ch 0 {4,D} -9 Rch 0 {4,S} - - -Css-Oh(Cds-CxRch)(Cds-CxRch)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 C 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Cx 0 {3,D} -7 Rch 0 {3,S} -8 Cx 0 {4,D} -9 Rch 0 {4,S} - - -Css-OhChdChtH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chd 0 {1,S} -4 Cht 0 {1,S} -5 H 0 {1,S} - - -Css-OhChdChbH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chd 0 {1,S} -4 Chb 0 {1,S} -5 H 0 {1,S} - - -Css-OhChtChtH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cht 0 {1,S} -4 Cht 0 {1,S} -5 H 0 {1,S} - - -Css-OhChtChbH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cht 0 {1,S} -4 Chb 0 {1,S} -5 H 0 {1,S} - - -Css-OhChbChbH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chb 0 {1,S} -4 Chb 0 {1,S} -5 H 0 {1,S} - - -Css-OhCxChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(Cx1)ChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx1 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(CxG4)ChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 CxG4 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(Cx!G4)ChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx!G4 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(CxG5)ChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 CxG5 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(Cx!G4G5)ChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx!G4G5 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(CxG6)ChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(CxO)ChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 CxO 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(CxsO)ChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 CxsO 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(CxdO)ChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 CxdO 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(Cds-ORch)ChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 Ch 0 {1,S} -5 H 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} - - -Css-Oh(Cds-ORch)ChsH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 Chs 0 {1,S} -5 H 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} - - -Css-Oh(Cds-ORch)ChdH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 Chd 0 {1,S} -5 H 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} - - -Css-Oh(Cds-ORch)ChtH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 Cht 0 {1,S} -5 H 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} - - -Css-Oh(Cds-ORch)ChbH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 Chb 0 {1,S} -5 H 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} - - -Css-Oh(Cds-CO)ChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 Ch 0 {1,S} -5 H 0 {1,S} -6 C 0 {3,D} -7 O 0 {3,S} - - -Css-Oh(CxbO)ChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 CxbO 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(Cx!O)ChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx!O 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(Cx!G4G5G6)ChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx!G4G5G6 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(Cx2+)ChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx2+ 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-OhCxCxH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx 0 {1,S} -4 Cx 0 {1,S} -5 H 0 {1,S} - - -Css-OxChChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Ch 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-OxCxChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Cx 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-OxCxCxH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Cx 0 {1,S} -4 Cx 0 {1,S} -5 H 0 {1,S} - - -Css-OCHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-OhChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Ch 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-OhChsHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chs 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-OhChdHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chd 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(Cds-ChRch)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Ch 0 {3,D} -7 Rch 0 {3,S} - - -Css-Oh(Cds-ChdRch)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Chd 0 {3,D} -7 Rch 0 {3,S} - - -Css-Oh(Cds-ChddRch)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Chdd 0 {3,D} -7 Rch 0 {3,S} - - -Css-Oh(Cds-CxRch)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx 0 {3,D} -7 Rch 0 {3,S} - - -Css-Oh(Cds-(Cx1)Rch)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx1 0 {3,D} -7 Rch 0 {3,S} - - -Css-Oh(Cds-(CxO)Rch)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 CxO 0 {3,D} -7 Rch 0 {3,S} - - -Css-Oh(Cds-(CxdO)Rch)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 CxdO 0 {3,D} -7 Rch 0 {3,S} - - -Css-Oh(Cds-(Cdd-O)Rch)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {3,D} {8,D} -7 Rch 0 {3,S} -8 O 0 {6,D} - - -Css-Oh(Cds-(Cx2+)Rch)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 Cx2+ 0 {3,D} -7 Rch 0 {3,S} - - -Css-OhChtHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cht 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-OhChbHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Chb 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-OhCxHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(Cx1)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx1 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(CxG4)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 CxG4 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(Cx!G4)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx!G4 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(CxG5)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 CxG5 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(Cx!G4G5)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx!G4G5 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(CxG6)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 CxG6 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(CxO)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 CxO 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(CxsO)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 CxsO 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(CxdO)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 CxdO 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(Cds-ORch)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 O 0 {3,D} -7 Rch 0 {3,S} - - -Css-Oh(Cds-CO)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 C 0 {1,S} {6,D} {7,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 C 0 {3,D} -7 O 0 {3,S} - - -Css-Oh(CxbO)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 CxbO 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(Cx!O)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx!O 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(Cx!G4G5G6)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx!G4G5G6 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-Oh(Cx2+)HH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Cx2+ 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-OxChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Ch 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Ox1)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox1 0 {1,S} -3 Ch 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(OxG4)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 OxG4 0 {1,S} -3 Ch 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Ox!G4)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox!G4 0 {1,S} -3 Ch 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(OxG5)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 OxG5 0 {1,S} -3 Ch 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(OxN)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 OxN 0 {1,S} -3 Ch 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(OxN3)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 OxN3 0 {1,S} -3 Ch 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(OxN3)ChsHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 OxN3 0 {1,S} -3 Chs 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(OxN3)ChdHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 OxN3 0 {1,S} -3 Chd 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(OxN3)ChtHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 OxN3 0 {1,S} -3 Cht 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(OxN3)ChbHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 OxN3 0 {1,S} -3 Chb 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(OxN5)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 OxN5 0 {1,S} -3 Ch 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(OxN5)ChsHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 OxN5 0 {1,S} -3 Chs 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(O-N5)(Css-CCC)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 N5 0 {2,S} -7 C 0 {3,S} -8 C 0 {3,S} -9 C 0 {3,S} - - -Css-(O-N5)(Css-CCH)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 N5 0 {2,S} -7 C 0 {3,S} -8 C 0 {3,S} -9 H 0 {3,S} - - -Css-(O-N5)(Css-CHH)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 N5 0 {2,S} -7 C 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - - -Css-(O-N5)(Css-HHH)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 N5 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - - -Css-(O-(N5x1))(Css-HHH)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 N5x1 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - - -Css-(O-(N5x2+))(Css-HHH)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 N5x2+ 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - - -Css-(O-(N5x2))(Css-HHH)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 N5x2 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - - -Css-(O-(N5x3))(Css-HHH)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 N5x3 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - - -Css-(O-(N5x3OOO))(Css-HHH)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 N5x3OOO 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - - -Css-(O-N5x3dOOO)(Css-HHH)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 N5x3dOOO 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - - -Css-(O-N5x3ddOOO)(Css-HHH)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 N5x3ddOOO 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - - -Css-(O-(N5dd-OO))(Css-HHH)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 N5 0 {2,S} {10,D} {11,D} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} -10 O 0 {6,D} -11 O 0 {6,D} - - -Css-(O-(N5x4))(Css-HHH)(H)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 N5x4 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - - -Css-(OxN5)ChdHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 OxN5 0 {1,S} -3 Chd 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(OxN5)ChtHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 OxN5 0 {1,S} -3 Cht 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(OxN5)ChbHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 OxN5 0 {1,S} -3 Chb 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Ox!N)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox!N 0 {1,S} -3 Ch 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Ox!G4G5)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox!G4G5 0 {1,S} -3 Ch 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(OxG6)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 OxG6 0 {1,S} -3 Ch 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-(Ox!G4G5G6)ChHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox!G4G5G6 0 {1,S} -3 Ch 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-OxCxHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Cx 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-OHHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -CxdO -1 * CxdO 0 - - -Cds-OCC -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} -4 C 0 {1,S} - - -Cds-OChCh -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Ch 0 {1,S} -4 Ch 0 {1,S} - - -Cds-OChsChs -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chs 0 {1,S} -4 Chs 0 {1,S} - - -Cds-OChsChd -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chs 0 {1,S} -4 Chd 0 {1,S} - - -Cds-(O)(Chs)(Cds-ChRch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chs 0 {1,S} -4 C 0 {1,S} {5,D} {6,S} -5 Ch 0 {4,D} -6 Rch 0 {4,S} - - -Cds-(O)(Chs)(Cds-ChdRch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chs 0 {1,S} -4 C 0 {1,S} {5,D} {6,S} -5 Chd 0 {4,D} -6 Rch 0 {4,S} - - -Cds-(O)(Chs)(Cds-ChddRch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chs 0 {1,S} -4 C 0 {1,S} {5,D} {6,S} -5 Chdd 0 {4,D} -6 Rch 0 {4,S} - - -Cds-(O)(Chs)(Cds-CxRch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chs 0 {1,S} -4 C 0 {1,S} {5,D} {6,S} -5 Cx 0 {4,D} -6 Rch 0 {4,S} - - -Cds-OChsCht -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chs 0 {1,S} -4 Cht 0 {1,S} - - -Cds-OChsChb -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chs 0 {1,S} -4 Chb 0 {1,S} - - -Cds-OChdChd -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chd 0 {1,S} -4 Chd 0 {1,S} - - -Cds-(O)(Cds-ChRch)(Cds-ChRch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 C 0 {1,S} {7,D} {8,S} -5 Ch 0 {3,D} -6 Rch 0 {3,S} -7 Ch 0 {4,D} -8 Rch 0 {4,S} - - -Cds-(O)(Cds-ChdRch)(Cds-ChdRch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 C 0 {1,S} {7,D} {8,S} -5 Chd 0 {3,D} -6 Rch 0 {3,S} -7 Chd 0 {4,D} -8 Rch 0 {4,S} - - -Cds-(O)(Cds-ChdRch)(Cds-ChddRch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 C 0 {1,S} {7,D} {8,S} -5 Chd 0 {3,D} -6 Rch 0 {3,S} -7 Chdd 0 {4,D} -8 Rch 0 {4,S} - - -Cds-(O)(Cds-ChddRch)(Cds-ChddRch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 C 0 {1,S} {7,D} {8,S} -5 Chdd 0 {3,D} -6 Rch 0 {3,S} -7 Chdd 0 {4,D} -8 Rch 0 {4,S} - - -Cds-(O)(Cds-ChRch)(Cds-CxRch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 C 0 {1,S} {7,D} {8,S} -5 Ch 0 {3,D} -6 Rch 0 {3,S} -7 Cx 0 {4,D} -8 Rch 0 {4,S} - - -Cds-(O)(Cds-CxRch)(Cds-CxRch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 C 0 {1,S} {7,D} {8,S} -5 Cx 0 {3,D} -6 Rch 0 {3,S} -7 Cx 0 {4,D} -8 Rch 0 {4,S} - - -Cds-OChdCht -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chd 0 {1,S} -4 Cht 0 {1,S} - - -Cds-OChdChb -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chd 0 {1,S} -4 Chb 0 {1,S} - - -Cds-OChtCht -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Cht 0 {1,S} -4 Cht 0 {1,S} - - -Cds-OChtChb -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Cht 0 {1,S} -4 Chb 0 {1,S} - - -Cds-OChbChb -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chb 0 {1,S} -4 Chb 0 {1,S} - - -Cds-OChCx -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Ch 0 {1,S} -4 Cx 0 {1,S} - - -Cds-OCh(Cx1) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Ch 0 {1,S} -4 Cx1 0 {1,S} - - -Cds-OCh(CxG4) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Ch 0 {1,S} -4 CxG4 0 {1,S} - - -Cds-OCh(Cx!G4) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Ch 0 {1,S} -4 Cx!G4 0 {1,S} - - -Cds-OCh(CxG5) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Ch 0 {1,S} -4 CxG5 0 {1,S} - - -Cds-OCh(Cx!G4G5) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Ch 0 {1,S} -4 Cx!G4G5 0 {1,S} - - -Cds-OCh(CxG6) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Ch 0 {1,S} -4 CxG6 0 {1,S} - - -Cds-OCh(CxO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Ch 0 {1,S} -4 CxO 0 {1,S} - - -Cds-OChs(CxsO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chs 0 {1,S} -4 CxsO 0 {1,S} - - -Cds-OChs(CxdO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chs 0 {1,S} -4 CxdO 0 {1,S} - - -Cds-(O)(Chs)(Cds-ORch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chs 0 {1,S} -4 C 0 {1,S} {5,D} {6,S} -5 O 0 {4,D} -6 Rch 0 {4,S} - - -Cds-(O)(Chs)(Cds-CO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chs 0 {1,S} -4 C 0 {1,S} {5,D} {6,S} -5 C 0 {4,D} -6 O 0 {4,S} - - -Cds-OChs(CxbO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chs 0 {1,S} -4 CxbO 0 {1,S} - - -Cds-OChd(CxsO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chd 0 {1,S} -4 CxsO 0 {1,S} - - -Cds-OChd(CxdO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chd 0 {1,S} -4 CxdO 0 {1,S} - - -Cds-(O)(Cds-CRch)(Cds-ORch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 C 0 {1,S} {7,D} {8,S} -5 C 0 {3,D} -6 Rch 0 {3,S} -7 O 0 {4,D} -8 Rch 0 {4,S} - - -Cds-(O)(Cds-ChRch)(Cds-ORch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 C 0 {1,S} {7,D} {8,S} -5 Ch 0 {3,D} -6 Rch 0 {3,S} -7 O 0 {4,D} -8 Rch 0 {4,S} - - -Cds-(O)(Cds-ChdRch)(Cds-ORch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 C 0 {1,S} {7,D} {8,S} -5 Chd 0 {3,D} -6 Rch 0 {3,S} -7 O 0 {4,D} -8 Rch 0 {4,S} - - -Cds-(O)(Cds-ChddRch)(Cds-ORch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 C 0 {1,S} {7,D} {8,S} -5 Chdd 0 {3,D} -6 Rch 0 {3,S} -7 O 0 {4,D} -8 Rch 0 {4,S} - - -Cds-(O)(Cds-CxRch)(Cds-ORch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 C 0 {1,S} {7,D} {8,S} -5 Cx 0 {3,D} -6 Rch 0 {3,S} -7 O 0 {4,D} -8 Rch 0 {4,S} - - -Cds-(O)(Cds-CRch)(Cds-CO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 C 0 {1,S} {7,D} {8,S} -5 C 0 {3,D} -6 Rch 0 {3,S} -7 C 0 {4,D} -8 O 0 {4,S} - - -Cds-OChd(CxbO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chd 0 {1,S} -4 CxbO 0 {1,S} - - -Cds-OCht(CxsO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Cht 0 {1,S} -4 CxsO 0 {1,S} - - -Cds-OCht(CxdO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Cht 0 {1,S} -4 CxdO 0 {1,S} - - -Cds-OCht(CxbO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Cht 0 {1,S} -4 CxbO 0 {1,S} - - -Cds-OChb(CxsO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chb 0 {1,S} -4 CxsO 0 {1,S} - - -Cds-OChb(CxdO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chb 0 {1,S} -4 CxdO 0 {1,S} - - -Cds-OChb(CxbO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chb 0 {1,S} -4 CxbO 0 {1,S} - - -Cds-OCh(Cx!O) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Ch 0 {1,S} -4 Cx!O 0 {1,S} - - -Cds-OCh(Cx!G4G5G6) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Ch 0 {1,S} -4 Cx!G4G5G6 0 {1,S} - - -Cds-OCh(Cx2+) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Ch 0 {1,S} -4 Cx2+ 0 {1,S} - - -Cds-OCxCx -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Cx 0 {1,S} -4 Cx 0 {1,S} - - -Cds-O(Cx1)(Cx1) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Cx1 0 {1,S} -4 Cx1 0 {1,S} - - -Cds-O(CxO)(CxO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 CxO 0 {1,S} -4 CxO 0 {1,S} - - -Cds-O(CxsO)(CxsO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 CxsO 0 {1,S} -4 CxsO 0 {1,S} - - -Cds-O(CxsO)(CxdO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 CxsO 0 {1,S} -4 CxdO 0 {1,S} - - -Cds-O(CxsO)(CxbO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 CxsO 0 {1,S} -4 CxbO 0 {1,S} - - -Cds-O(CxdO)(CxdO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 CxdO 0 {1,S} -4 CxdO 0 {1,S} - - -Cds-(O)(Cds-ORch)(Cds-ORch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 C 0 {1,S} {7,D} {8,S} -5 O 0 {3,D} -6 Rch 0 {3,S} -7 O 0 {4,D} -8 Rch 0 {4,S} - - -Cds-(O)(Cds-ORch)(Cds-CO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 C 0 {1,S} {7,D} {8,S} -5 O 0 {3,D} -6 Rch 0 {3,S} -7 C 0 {4,D} -8 O 0 {4,S} - - -Cds-(O)(Cds-CO)(Cds-CO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 C 0 {1,S} {7,D} {8,S} -5 C 0 {3,D} -6 O 0 {3,S} -7 C 0 {4,D} -8 O 0 {4,S} - - -Cds-O(CxdO)(CxbO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 CxdO 0 {1,S} -4 CxbO 0 {1,S} - - -Cds-O(CxbO)(CxbO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 CxbO 0 {1,S} -4 CxbO 0 {1,S} - - -Cds-O(Cx1)(Cx2+) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Cx1 0 {1,S} -4 Cx2+ 0 {1,S} - - -Cds-O(Cx2+)(Cx2+) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Cx2+ 0 {1,S} -4 Cx2+ 0 {1,S} - - -Cds-OCH -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} -4 H 0 {1,S} - - -Cds-OChH -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Ch 0 {1,S} -4 H 0 {1,S} - - -Cds-OChsH -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chs 0 {1,S} -4 H 0 {1,S} - - -Cds-OChdH -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chd 0 {1,S} -4 H 0 {1,S} - - -Cds-(O)(Cds-ChRch)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 H 0 {1,S} -5 Ch 0 {3,D} -6 Rch 0 {3,S} - - -Cds-(O)(Cds-ChdRch)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 H 0 {1,S} -5 Chd 0 {3,D} -6 Rch 0 {3,S} - - -Cds-(O)(Cds-ChddRch)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 H 0 {1,S} -5 Chdd 0 {3,D} -6 Rch 0 {3,S} - - -Cds-(O)(Cds-CxRch)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 H 0 {1,S} -5 Cx 0 {3,D} -6 Rch 0 {3,S} - - -Cds-OChtH -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Cht 0 {1,S} -4 H 0 {1,S} - - -Cds-OChbH -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Chb 0 {1,S} -4 H 0 {1,S} - - -Cds-OCxH -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Cx 0 {1,S} -4 H 0 {1,S} - - -Cds-O(Cx1)H -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Cx1 0 {1,S} -4 H 0 {1,S} - - -Cds-O(CxG4)H -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 CxG4 0 {1,S} -4 H 0 {1,S} - - -Cds-O(Cx!G4)H -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Cx!G4 0 {1,S} -4 H 0 {1,S} - - -Cds-O(CxG5)H -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 CxG5 0 {1,S} -4 H 0 {1,S} - - -Cds-O(Cx!G4G5)H -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Cx!G4G5 0 {1,S} -4 H 0 {1,S} - - -Cds-O(CxG6)H -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 CxG6 0 {1,S} -4 H 0 {1,S} - - -Cds-O(CxO)H -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 CxO 0 {1,S} -4 H 0 {1,S} - - -Cds-O(CxsO)H -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 CxsO 0 {1,S} -4 H 0 {1,S} - - -Cds-O(CxdO)H -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 CxdO 0 {1,S} -4 H 0 {1,S} - - -Cds-(O)(Cds-ORch)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 H 0 {1,S} -5 O 0 {3,D} -6 Rch 0 {3,S} - - -Cds-(O)(Cds-OC)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 H 0 {1,S} -5 O 0 {3,D} -6 C 0 {3,S} - - -Cds-(O)(Cds-OH)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 H 0 {1,S} -5 O 0 {3,D} -6 H 0 {3,S} - - -Cds-(O)(Cds-CO)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 C 0 {1,S} {5,D} {6,S} -4 H 0 {1,S} -5 C 0 {3,D} -6 O 0 {3,S} - - -Cds-O(CxbO)H -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 CxbO 0 {1,S} -4 H 0 {1,S} - - -Cds-O(Cx!O)H -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Cx!O 0 {1,S} -4 H 0 {1,S} - - -Cds-O(Cx!G4G5G6)H -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Cx!G4G5G6 0 {1,S} -4 H 0 {1,S} - - -Cds-O(Cx2+)H -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Cx2+ 0 {1,S} -4 H 0 {1,S} - - -Cds-OHH -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 H 0 {1,S} -4 H 0 {1,S} - - -Cds-CCO -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 C 0 {1,S} -4 O 0 {1,S} - - - -Cds-ChChOh -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Ch 0 {1,S} -4 Oh 0 {1,S} - - -Cds-ChdChsOh -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 Chs 0 {1,S} -4 Oh 0 {1,S} - - -Cds-ChdChdOh -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 Chd 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(Cds-RchRch)(Cds-ChRch)(Oh) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 Oh 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Ch 0 {3,D} -8 Rch 0 {3,S} - - -Cds-(Cds-RchRch)(Cds-ChdRch)(Oh) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 Oh 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Chd 0 {3,D} -8 Rch 0 {3,S} - - -Cds-(Cds-RchRch)(Cds-ChddRch)(Oh) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 Oh 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Chdd 0 {3,D} -8 Rch 0 {3,S} - - -Cds-(Cds-RchRch)(Cds-CxRch)(Oh) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 Oh 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 Cx 0 {3,D} -8 Rch 0 {3,S} - - -Cds-ChdChtOh -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 Cht 0 {1,S} -4 Oh 0 {1,S} - - -Cds-ChdChbOh -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 Chb 0 {1,S} -4 Oh 0 {1,S} - - -Cds-ChddChsOh -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 Chs 0 {1,S} -4 Oh 0 {1,S} - - -Cds-ChddChdOh -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 Chd 0 {1,S} -4 Oh 0 {1,S} - - -Cds-ChddChtOh -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 Cht 0 {1,S} -4 Oh 0 {1,S} - - -Cds-ChddChbOh -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 Chb 0 {1,S} -4 Oh 0 {1,S} - - -Cds-ChChOx -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Ch 0 {1,S} -4 Ox 0 {1,S} - - -Cds-ChCxOh -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx 0 {1,S} -4 Oh 0 {1,S} - - -Cds-Ch(Cx1)Oh -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx1 0 {1,S} -4 Oh 0 {1,S} - - -Cds-Ch(CxG4)Oh -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxG4 0 {1,S} -4 Oh 0 {1,S} - - -Cds-Ch(Cx!G4)Oh -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx!G4 0 {1,S} -4 Oh 0 {1,S} - - -Cds-Ch(CxG5)Oh -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxG5 0 {1,S} -4 Oh 0 {1,S} - - -Cds-Ch(Cx!G4G5)Oh -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx!G4G5 0 {1,S} -4 Oh 0 {1,S} - - -Cds-Ch(CxG6)Oh -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxG6 0 {1,S} -4 Oh 0 {1,S} - - -Cds-Ch(CxO)Oh -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 CxO 0 {1,S} -4 Oh 0 {1,S} - - -Cds-Chd(CxsO)Oh -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 CxsO 0 {1,S} -4 Oh 0 {1,S} - - -Cds-Chd(CxdO)Oh -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 CxdO 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(Cds-RchRch)(Cds-ORch)(Oh) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 Oh 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 O 0 {3,D} -8 Rch 0 {3,S} - - -Cds-(Cds-RchRch)(Cds-CO)(Oh) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,S} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 Oh 0 {1,S} -5 Rch 0 {2,S} -6 Rch 0 {2,S} -7 C 0 {3,D} -8 O 0 {3,S} - - -Cds-Chd(CxbO)Oh -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 CxbO 0 {1,S} -4 Oh 0 {1,S} - - -Cds-Chdd(CxsO)Oh -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 CxsO 0 {1,S} -4 Oh 0 {1,S} - - -Cds-Chdd(CxdO)Oh -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 CxdO 0 {1,S} -4 Oh 0 {1,S} - - -Cds-Chdd(CxbO)Oh -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 CxbO 0 {1,S} -4 Oh 0 {1,S} - - -Cds-Ch(Cx!O)Oh -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx!O 0 {1,S} -4 Oh 0 {1,S} - - -Cds-Ch(Cx!G4G5G6)Oh -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx!G4G5G6 0 {1,S} -4 Oh 0 {1,S} - - -Cds-Ch(Cx2+)Oh -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx2+ 0 {1,S} -4 Oh 0 {1,S} - - -Cds-ChCxOx -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Cx 0 {1,S} -4 Ox 0 {1,S} - - -Cds-CxChOh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx 0 {1,D} -3 Ch 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(Cx1)ChOh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx1 0 {1,D} -3 Ch 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(CxG4)ChOh -1 * C 0 {2,D} {3,S} {4,S} -2 CxG4 0 {1,D} -3 Ch 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(Cx!G4)ChOh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!G4 0 {1,D} -3 Ch 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(CxG5)ChOh -1 * C 0 {2,D} {3,S} {4,S} -2 CxG5 0 {1,D} -3 Ch 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(Cx!G4G5)ChOh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!G4G5 0 {1,D} -3 Ch 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(CxG6)ChOh -1 * C 0 {2,D} {3,S} {4,S} -2 CxG6 0 {1,D} -3 Ch 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(CxO)ChOh -1 * C 0 {2,D} {3,S} {4,S} -2 CxO 0 {1,D} -3 Ch 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(CxdO)ChsOh -1 * C 0 {2,D} {3,S} {4,S} -2 CxdO 0 {1,D} -3 Chs 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(CxdO)ChdOh -1 * C 0 {2,D} {3,S} {4,S} -2 CxdO 0 {1,D} -3 Chd 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(CxdO)ChtOh -1 * C 0 {2,D} {3,S} {4,S} -2 CxdO 0 {1,D} -3 Cht 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(CxdO)ChbOh -1 * C 0 {2,D} {3,S} {4,S} -2 CxdO 0 {1,D} -3 Chb 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(CxddO)ChsOh -1 * C 0 {2,D} {3,S} {4,S} -2 CxddO 0 {1,D} -3 Chs 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(CxddO)ChdOh -1 * C 0 {2,D} {3,S} {4,S} -2 CxddO 0 {1,D} -3 Chd 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(Cdd-O)(Cds-ChRch)(Oh) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,D} {7,S} -4 Oh 0 {1,S} -5 O 0 {2,D} -6 Ch 0 {3,D} -7 Rch 0 {3,S} - - -Cds-(Cdd-O)(Cds-ChdRch)(Oh) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,D} {7,S} -4 Oh 0 {1,S} -5 O 0 {2,D} -6 Chd 0 {3,D} -7 Rch 0 {3,S} - - -Cds-(Cdd-O)(Cds-ChddRch)(Oh) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,D} {7,S} -4 Oh 0 {1,S} -5 O 0 {2,D} -6 Chdd 0 {3,D} -7 Rch 0 {3,S} - - -Cds-(Cdd-O)(Cds-CxRch)(Oh) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,D} {7,S} -4 Oh 0 {1,S} -5 O 0 {2,D} -6 Cx 0 {3,D} -7 Rch 0 {3,S} - - -Cds-(Cdd-O)(Cds-(Cdd-O)Rch)(Oh) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,D} {7,S} -4 Oh 0 {1,S} -5 O 0 {2,D} -6 C 0 {3,D} {8,D} -7 Rch 0 {3,S} -8 O 0 {6,D} - - -Cds-(CxddO)ChtOh -1 * C 0 {2,D} {3,S} {4,S} -2 CxddO 0 {1,D} -3 Cht 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(CxddO)ChbOh -1 * C 0 {2,D} {3,S} {4,S} -2 CxddO 0 {1,D} -3 Chb 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(Cx!O)ChOh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!O 0 {1,D} -3 Ch 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(Cx!G4G5G6)ChOh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!G4G5G6 0 {1,D} -3 Ch 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(Cx2+)ChOh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx2+ 0 {1,D} -3 Ch 0 {1,S} -4 Oh 0 {1,S} - - -Cds-CxChOx -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 C 0 {1,S} -4 O 0 {1,S} - - -Cds-CxCxOh -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 C 0 {1,S} -4 O 0 {1,S} - - -Cds-CxCxOx -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 C 0 {1,S} -4 O 0 {1,S} - - -Cds-COH -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 O 0 {1,S} -4 H 0 {1,S} - - -Cds-ChOhH -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Oh 0 {1,S} -4 H 0 {1,S} - - -Cds-ChdOhH -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 Oh 0 {1,S} -4 H 0 {1,S} - - -Cds-ChddOhH -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 Oh 0 {1,S} -4 H 0 {1,S} - - -Cds-ChOxH -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Ox 0 {1,S} -4 H 0 {1,S} - - -Cds-CxOhH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx 0 {1,D} -3 Oh 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cx1)OhH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx1 0 {1,D} -3 Oh 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxG4)OhH -1 * C 0 {2,D} {3,S} {4,S} -2 CxG4 0 {1,D} -3 Oh 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cx!G4)OhH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!G4 0 {1,D} -3 Oh 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxG5)OhH -1 * C 0 {2,D} {3,S} {4,S} -2 CxG5 0 {1,D} -3 Oh 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cx!G4G5)OhH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!G4G5 0 {1,D} -3 Oh 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxG6)OhH -1 * C 0 {2,D} {3,S} {4,S} -2 CxG6 0 {1,D} -3 Oh 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxO)OhH -1 * C 0 {2,D} {3,S} {4,S} -2 CxO 0 {1,D} -3 Oh 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxdO)OhH -1 * C 0 {2,D} {3,S} {4,S} -2 CxdO 0 {1,D} -3 Oh 0 {1,S} -4 H 0 {1,S} - - -Cds-(CxddO)OhH -1 * C 0 {2,D} {3,S} {4,S} -2 CxddO 0 {1,D} -3 Oh 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cdd-O)(Oh)(H) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 Oh 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,D} - - -Cds-(Cx!O)OhH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!O 0 {1,D} -3 Oh 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cx!G4G5G6)OhH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!G4G5G6 0 {1,D} -3 Oh 0 {1,S} -4 H 0 {1,S} - - -Cds-(Cx2+)OhH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx2+ 0 {1,D} -3 Oh 0 {1,S} -4 H 0 {1,S} - - -Cds-CxOxH -1 * C 0 {2,D} {3,S} {4,S} -2 Cx 0 {1,D} -3 Ox 0 {1,S} -4 H 0 {1,S} - - -CxddO -1 * CxddO 0 - - -Cdd-CO -1 * C 0 {2,D} {3,D} -2 C 0 {1,D} -3 O 0 {1,D} - - -Cdd-ChOh -1 * C 0 {2,D} {3,D} -2 Ch 0 {1,D} -3 O 0 {1,D} - - -Cdd-ChdOh -1 * C 0 {2,D} {3,D} -2 Chd 0 {1,D} -3 O 0 {1,D} - - -Cdd-ChddOh -1 * C 0 {2,D} {3,D} -2 Chdd 0 {1,D} -3 O 0 {1,D} - - -Cdd-CxOh -1 * C 0 {2,D} {3,D} -2 Cx 0 {1,D} -3 O 0 {1,D} - - -CxtO -1 * CxtO 0 - - -Ct-CO -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 O 0 {1,S} - - -Ct-ChOh -1 * C 0 {2,T} {3,S} -2 Ch 0 {1,T} -3 Oh 0 {1,S} - - -Ct-ChOx -1 * C 0 {2,T} {3,S} -2 Ch 0 {1,T} -3 Ox 0 {1,S} - - -Ct-CxOh -1 * C 0 {2,T} {3,S} -2 Cx 0 {1,T} -3 Oh 0 {1,S} - - -Ct-CxOx -1 * C 0 {2,T} {3,S} -2 Cx 0 {1,T} -3 Ox 0 {1,S} - - -CxbO -1 * CxbO 0 - - -Cb-CCO -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 O 0 {1,S} - - -Cb-ChChOh -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 Oh 0 {1,S} - - -Cb-ChbChbOhs -1 * C 0 {2,B} {3,B} {4,S} -2 Chb 0 {1,B} -3 Chb 0 {1,B} -4 Ohs 0 {1,S} - - -Cb-ChbChbfOhs -1 * C 0 {2,B} {3,B} {4,S} -2 Chb 0 {1,B} -3 Chbf 0 {1,B} -4 Ohs 0 {1,S} - - -Cb-ChbfChbfOhs -1 * C 0 {2,B} {3,B} {4,S} -2 Chbf 0 {1,B} -3 Chbf 0 {1,B} -4 Ohs 0 {1,S} - - -Cb-ChCxOh -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Cx 0 {1,B} -4 Oh 0 {1,S} - - -Cb-CxCxOh -1 * C 0 {2,B} {3,B} {4,S} -2 Cx 0 {1,B} -3 Cx 0 {1,B} -4 Oh 0 {1,S} - - -Cb-ChChOx -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Ch 0 {1,B} -4 Ox 0 {1,S} - - -Cb-ChCxOx -1 * C 0 {2,B} {3,B} {4,S} -2 Ch 0 {1,B} -3 Cx 0 {1,B} -4 Ox 0 {1,S} - - -Cb-CxCxOx -1 * C 0 {2,B} {3,B} {4,S} -2 Cx 0 {1,B} -3 Cx 0 {1,B} -4 Ox 0 {1,S} - - -Cb-OCC -1 * C 0 {2,B} {3,B} {4,S} -2 O 0 {1,B} -3 C 0 {1,B} -4 C 0 {1,S} - - -Cb-OCH -1 * C 0 {2,B} {3,B} {4,S} -2 O 0 {1,B} -3 C 0 {1,B} -4 H 0 {1,S} - - -Cx!O -1 * Cx!O 0 - - -CxS -1 * CxS 0 - - -CxsS -1 * CxsS 0 - - -Css-SCCC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 S 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {1,S} - - -Css-SCCH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 S 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 H 0 {1,S} - - -Css-SCHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 S 0 {1,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-SHHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 S 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -CxdS -1 * CxdS 0 - - -Css-SRchRch -1 * C 0 {2,D} {3,S} {4,S} -2 S 0 {1,D} -3 Rch 0 {1,S} -4 Rch 0 {1,S} - - -Css-CSC -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 S 0 {1,S} -4 C 0 {1,S} - - -Css-CSH -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 S 0 {1,S} -4 H 0 {1,S} - - -CxddS -1 * CxddS 0 - - -CxtS -1 * CxtS 0 - - -CxbS -1 * CxbS 0 - - -Css-CCS -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 S 0 {1,S} - - -Css-SCRch -1 * C 0 {2,B} {3,B} {4,S} -2 S 0 {1,B} -3 C 0 {1,B} -4 Rch 0 {1,S} - - -CxbfS -1 * CxbfS 0 - - - - - - - - -Cx!OS -1 * Cx!OS 0 - - -Cx!G4G5G6 -1 * Cx!G4G5G6 0 - - -CxG7 -1 * CxG7 0 - - -CxF -1 * CxF 0 - - -CxsF -1 * CxsF 0 - - -Css-FCCC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 F 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {1,S} - - -Css-FCCH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 F 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 H 0 {1,S} - - -Css-FCHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 F 0 {1,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-FHHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 F 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -CxdF -1 * CxdF 0 - - -Cds-CFC -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 F 0 {1,S} -4 C 0 {1,S} - - -Cds-CFH -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 F 0 {1,S} -4 H 0 {1,S} - - -CxtF -1 * CxtF 0 - - -Ct-CF -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 F 0 {1,S} - - -CxbF -1 * CxbF 0 - - -Cb-CCF -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 F 0 {1,S} - - -Cx!F -1 * Cx!F 0 - - -CxCl -1 * CxCl 0 - - -CxsCl -1 * CxsCl 0 - - -Css-ClCCC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 Cl 0 {1,S} - - -Css-ClCCH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 Cl 0 {1,S} - - -Css-ClCHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 C 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cl 0 {1,S} - - -Css-ClHHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cl 0 {1,S} - - -CxdCl -1 * CxdCl 0 - - -Cds-CClC -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 Cl 0 {1,S} -4 C 0 {1,S} - - -Cds-CClH -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 Cl 0 {1,S} -4 H 0 {1,S} - - -CxtCl -1 * CxtCl 0 - - -Ct-CCl -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 Cl 0 {1,S} - - -CxbCl -1 * CxbCl 0 - - -Cb-CCCl -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 Cl 0 {1,S} - - -Cx!FCl -1 * Cx!FCl 0 - - -CxBr -1 * CxBr 0 - - -CxsBr -1 * CxsBr 0 - - -Css-BrCCC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Br 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {1,S} - - -Css-BrCCH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Br 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 H 0 {1,S} - - -Css-BrCHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Br 0 {1,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-BrHHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Br 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -CxdBr -1 * CxdBr 0 - - -Cds-CBrC -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 Br 0 {1,S} -4 C 0 {1,S} - - -Cds-CBrH -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 Br 0 {1,S} -4 H 0 {1,S} - - -CxtBr -1 * CxtBr 0 - - -Ct-CBr -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 Br 0 {1,S} - - -CxbBr -1 * CxbBr 0 - - -Cb-CCBr -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 Br 0 {1,S} - - -Cx!FClBr -1 * Cx!FClBr 0 - - -CxI -1 * CxI 0 - - -CxsI -1 * CxsI 0 - - -Css-ICCC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 I 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {1,S} - - -Css-ICCH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 I 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 H 0 {1,S} - - -Css-ICHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 I 0 {1,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Css-IHHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 I 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -CxdI -1 * CxdI 0 - - -Cds-CIC -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 I 0 {1,S} -4 C 0 {1,S} - - -Cds-CIH -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 I 0 {1,S} -4 H 0 {1,S} - - -CxtI -1 * CxtI 0 - - -Ct-CI -1 * C 0 {2,T} {3,S} -2 C 0 {1,T} -3 I 0 {1,S} - - -CxbI -1 * CxbI 0 - - -Cb-CCI -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 I 0 {1,S} - - -Cx!FClBrI -1 * Cx!FClBrI 0 - - -Cx!G4G5G6G7 -1 * Cx!G4G5G6G7 0 - - -Cx2+ -1 * Cx2+ 0 - - -Cx2 -1 * Cx2 0 - - -Cx2OO -1 * Cx2OO 0 - - -Cx2sOO -1 * Cx2sOO 0 - - -Css-OOCC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} -3 O 0 {1,S} -4 C 0 {1,S} -5 C 0 {1,S} - - -Css-OhOhChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-OhOhChsChs -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Chs 0 {1,S} -5 Chs 0 {1,S} - - -Css-OhOhChsChd -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Chs 0 {1,S} -5 Chd 0 {1,S} - - -Css-OhOhChsCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Chs 0 {1,S} -5 Cht 0 {1,S} - - -Css-OhOhChsChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Chs 0 {1,S} -5 Chb 0 {1,S} - - -Css-OhOhChdChd -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Chd 0 {1,S} -5 Chd 0 {1,S} - - -Css-OhOhChdCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Chd 0 {1,S} -5 Cht 0 {1,S} - - -Css-OhOhChdChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Chd 0 {1,S} -5 Chb 0 {1,S} - - -Css-OhOhChtCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Cht 0 {1,S} -5 Cht 0 {1,S} - - -Css-OhOhChtChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Cht 0 {1,S} -5 Chb 0 {1,S} - - -Css-OhOhChbChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Chb 0 {1,S} -5 Chb 0 {1,S} - - -Css-OhOhCxCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Cx 0 {1,S} -5 Ch 0 {1,S} - - -Css-OhOh(Cx1)Ch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Cx1 0 {1,S} -5 Ch 0 {1,S} - - -Css-OhOh(CxG4)Ch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 CxG4 0 {1,S} -5 Ch 0 {1,S} - - -Css-OhOh(Cx!G4)Ch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Cx!G4 0 {1,S} -5 Ch 0 {1,S} - - -Css-OhOh(CxG5)Ch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 CxG5 0 {1,S} -5 Ch 0 {1,S} - - -Css-OhOh(Cx!G4G5)Ch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Cx!G4G5 0 {1,S} -5 Ch 0 {1,S} - - -Css-OhOh(CxG6)Ch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Cx 0 {1,S} -5 Ch 0 {1,S} - - -Css-OhOh(CxO)Ch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 CxO 0 {1,S} -5 Ch 0 {1,S} - - -Css-OhOh(CxsO)Ch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 CxsO 0 {1,S} -5 Ch 0 {1,S} - - -Css-OhOh(CxdO)Ch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 CxdO 0 {1,S} -5 Ch 0 {1,S} - - -Css-(O-Rch)(O-Rch)(Cds-ORch)(Ch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} {6,S} -3 O 0 {1,S} {7,S} -4 CxO 0 {1,S} {8,D} {9,S} -5 Ch 0 {1,S} -6 Rch 0 {2,S} -7 Rch 0 {3,S} -8 O 0 {4,D} -9 Rch 0 {4,S} - - -Css-(O-Rch)(O-Rch)(Cds-CO)(Ch) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} {6,S} -3 O 0 {1,S} {7,S} -4 CxO 0 {1,S} {8,D} {9,S} -5 Ch 0 {1,S} -6 Rch 0 {2,S} -7 Rch 0 {3,S} -8 C 0 {4,D} -9 O 0 {4,S} - - -Css-OhOh(CxtO)Ch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 CxtO 0 {1,S} -5 Ch 0 {1,S} - - -Css-OhOh(Cx!O)Ch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Cx!O 0 {1,S} -5 Ch 0 {1,S} - - -Css-OhOh(Cx!G4G5G6)Ch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Cx!G4G5G6 0 {1,S} -5 Ch 0 {1,S} - - -Css-OhOh(Cx2+)Ch -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Cx2+ 0 {1,S} -5 Ch 0 {1,S} - - -Css-OhOhCxCx -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Cx 0 {1,S} -5 Cx 0 {1,S} - - -Css-OxOhChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Oh 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-OxOhCxCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Oh 0 {1,S} -4 Cx 0 {1,S} -5 Ch 0 {1,S} - - -Css-OxOhCxCx -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Oh 0 {1,S} -4 Cx 0 {1,S} -5 Cx 0 {1,S} - - -Css-OxOxChCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Ox 0 {1,S} -4 Ch 0 {1,S} -5 Ch 0 {1,S} - - -Css-OxOxCxCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Ox 0 {1,S} -4 Cx 0 {1,S} -5 Ch 0 {1,S} - - -Css-OxOxCxCx -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Ox 0 {1,S} -4 Cx 0 {1,S} -5 Cx 0 {1,S} - - -Css-OOCH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} -3 O 0 {1,S} -4 C 0 {1,S} -5 H 0 {1,S} - - -Css-OhOhChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-OhOhChsH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Chs 0 {1,S} -5 H 0 {1,S} - - -Css-OhOhChdH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Chd 0 {1,S} -5 H 0 {1,S} - - -Css-OhOhChtH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Cht 0 {1,S} -5 H 0 {1,S} - - -Css-OhOhChbH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Chb 0 {1,S} -5 H 0 {1,S} - - -Css-OhOhCxH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Cx 0 {1,S} -5 H 0 {1,S} - - -Css-OhOh(Cx1)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Cx1 0 {1,S} -5 H 0 {1,S} - - -Css-OhOh(CxG4)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 CxG4 0 {1,S} -5 H 0 {1,S} - - -Css-OhOh(Cx!G4)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Cx!G4 0 {1,S} -5 H 0 {1,S} - - -Css-OhOh(CxG5)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 CxG5 0 {1,S} -5 H 0 {1,S} - - -Css-OhOh(Cx!G4G5)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Cx!G4G5 0 {1,S} -5 H 0 {1,S} - - -Css-OhOh(CxG6)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Cx 0 {1,S} -5 H 0 {1,S} - - -Css-OhOh(CxO)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 CxO 0 {1,S} -5 H 0 {1,S} - - -Css-OhOh(CxsO)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 CxsO 0 {1,S} -5 H 0 {1,S} - - -Css-OhOh(CxdO)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 CxdO 0 {1,S} -5 H 0 {1,S} - - -Css-(O-Rch)(O-Rch)(Cds-ORch)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} {6,S} -3 O 0 {1,S} {7,S} -4 CxO 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Rch 0 {2,S} -7 Rch 0 {3,S} -8 O 0 {4,D} -9 Rch 0 {4,S} - - -Css-(O-Rch)(O-Rch)(Cds-CO)(H) -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} {6,S} -3 O 0 {1,S} {7,S} -4 CxO 0 {1,S} {8,D} {9,S} -5 H 0 {1,S} -6 Rch 0 {2,S} -7 Rch 0 {3,S} -8 C 0 {4,D} -9 O 0 {4,S} - - -Css-OhOh(CxtO)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 CxtO 0 {1,S} -5 H 0 {1,S} - - -Css-OhOh(Cx!O)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Cx!O 0 {1,S} -5 H 0 {1,S} - - -Css-OhOh(Cx!G4G5G6)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Cx!G4G5G6 0 {1,S} -5 H 0 {1,S} - - -Css-OhOh(Cx2+)H -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Cx2+ 0 {1,S} -5 H 0 {1,S} - - - - - - - - -Css-OxOhChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Oh 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-OxOhCxH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Oh 0 {1,S} -4 Cx 0 {1,S} -5 H 0 {1,S} - - -Css-OxOxChH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Ox 0 {1,S} -4 Ch 0 {1,S} -5 H 0 {1,S} - - -Css-OxOxCxH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Ox 0 {1,S} -4 Cx 0 {1,S} -5 H 0 {1,S} - - -Css-OOHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} -3 O 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Cx2dOO -1 * Cx2dOO 0 - - -Cds-OOC -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 O 0 {1,S} -4 C 0 {1,S} - - -Cds-OOhCh -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 Ch 0 {1,S} - - -Cds-OOhChs -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 Chs 0 {1,S} - - -Cds-OOhChd -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 Chd 0 {1,S} - - -Cds-(O)(O-Rch)(Cds-ChRch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 O 0 {1,S} {5,S} -4 C 0 {1,S} {6,D} {7,S} -5 Rch 0 {3,S} -6 Ch 0 {4,D} -7 Rch 0 {4,S} - - -Cds-(O)(O-Rch)(Cds-ChdRch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 O 0 {1,S} {5,S} -4 C 0 {1,S} {6,D} {7,S} -5 Rch 0 {3,S} -6 Chd 0 {4,D} -7 Rch 0 {4,S} - - -Cds-(O)(O-Rch)(Cds-ChddRch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 O 0 {1,S} {5,S} -4 C 0 {1,S} {6,D} {7,S} -5 Rch 0 {3,S} -6 Chdd 0 {4,D} -7 Rch 0 {4,S} - - -Cds-(O)(O-Rch)(Cds-CxRch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 O 0 {1,S} {5,S} -4 C 0 {1,S} {6,D} {7,S} -5 Rch 0 {3,S} -6 Cx 0 {4,D} -7 Rch 0 {4,S} - - -Cds-OOhCht -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 Cht 0 {1,S} - - -Cds-OOhChb -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 Chb 0 {1,S} - - -Cds-OOhCx -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 Cx 0 {1,S} - - -Cds-OOh(Cx1) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 Cx1 0 {1,S} - - -Cds-OOh(CxG4) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 CxG4 0 {1,S} - - -Cds-OOh(Cx!G4) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 Cx!G4 0 {1,S} - - -Cds-OOh(CxG5) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 CxG5 0 {1,S} - - -Cds-OOh(Cx!G4G5) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 Cx!G4G5 0 {1,S} - - -Cds-OOh(CxG6) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 CxG6 0 {1,S} - - -Cds-OOh(CxO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 CxO 0 {1,S} - - -Cds-OOh(CxsO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 CxsO 0 {1,S} - - -Cds-OOh(CxdO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 CxdO 0 {1,S} - - -Cds-(O)(O-Rch)(Cds-ORch) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 O 0 {1,S} {5,S} -4 C 0 {1,S} {6,D} {7,S} -5 Rch 0 {3,S} -6 O 0 {4,D} -7 Rch 0 {4,S} - - -Cds-(O)(O-Rch)(Cds-CO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 O 0 {1,S} {5,S} -4 C 0 {1,S} {6,D} {7,S} -5 Rch 0 {3,S} -6 C 0 {4,D} -7 O 0 {4,S} - - -Cds-OOh(CxbO) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 CxbO 0 {1,S} - - -Cds-OOh(Cx!O) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 Cx!O 0 {1,S} - - -Cds-OOh(Cx!G4G5G6) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 Cx!G4G5G6 0 {1,S} - - -Cds-OOh(Cx2+) -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 Cx2+ 0 {1,S} - - -Cds-OOxCh -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Ox 0 {1,S} -4 Ch 0 {1,S} - - -Cds-OOxCx -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Ox 0 {1,S} -4 Cx 0 {1,S} - - -Cds-OOH -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 O 0 {1,S} -4 H 0 {1,S} - - -Cds-COO -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 O 0 {1,S} -4 O 0 {1,S} - - -Cds-ChOhOh -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Oh 0 {1,S} -4 Oh 0 {1,S} - - -Cds-ChdOhOh -1 * C 0 {2,D} {3,S} {4,S} -2 Chd 0 {1,D} -3 Oh 0 {1,S} -4 Oh 0 {1,S} - - -Cds-ChddOhOh -1 * C 0 {2,D} {3,S} {4,S} -2 Chdd 0 {1,D} -3 Oh 0 {1,S} -4 Oh 0 {1,S} - - -Cds-ChOhOx -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Oh 0 {1,S} -4 Ox 0 {1,S} - - -Cds-ChOxOx -1 * C 0 {2,D} {3,S} {4,S} -2 Ch 0 {1,D} -3 Ox 0 {1,S} -4 Ox 0 {1,S} - - -Cds-CxOhOh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx 0 {1,D} -3 Oh 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(Cx1)OhOh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx1 0 {1,D} -3 Oh 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(CxG4)OhOh -1 * C 0 {2,D} {3,S} {4,S} -2 CxG4 0 {1,D} -3 Oh 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(Cx!G4)OhOh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!G4 0 {1,D} -3 Oh 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(CxG5)OhOh -1 * C 0 {2,D} {3,S} {4,S} -2 CxG5 0 {1,D} -3 Oh 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(Cx!G4G5)OhOh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!G4G5 0 {1,D} -3 Oh 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(CxG6)OhOh -1 * C 0 {2,D} {3,S} {4,S} -2 CxG6 0 {1,D} -3 Oh 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(CxO)OhOh -1 * C 0 {2,D} {3,S} {4,S} -2 CxO 0 {1,D} -3 Oh 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(CxdO)OhOh -1 * C 0 {2,D} {3,S} {4,S} -2 CxdO 0 {1,D} -3 Oh 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(CxddO)OhOh -1 * C 0 {2,D} {3,S} {4,S} -2 CxddO 0 {1,D} -3 Oh 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(Cdd-O)(Oh)(Oh) -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 Oh 0 {1,S} -4 Oh 0 {1,S} -5 O 0 {2,D} - - -Cds-(Cx!O)OhOh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!O 0 {1,D} -3 Oh 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(Cx!G4G5G6)OhOh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx!G4G5G6 0 {1,D} -3 Oh 0 {1,S} -4 Oh 0 {1,S} - - -Cds-(Cx2+)OhOh -1 * C 0 {2,D} {3,S} {4,S} -2 Cx2+ 0 {1,D} -3 Oh 0 {1,S} -4 Oh 0 {1,S} - - -Cds-CxOhOx -1 * C 0 {2,D} {3,S} {4,S} -2 Cx 0 {1,D} -3 Oh 0 {1,S} -4 Ox 0 {1,S} - - -Cds-CxOxOx -1 * C 0 {2,D} {3,S} {4,S} -2 Cx 0 {1,D} -3 Ox 0 {1,S} -4 Ox 0 {1,S} - - -Cx2ddOO -1 * Cx2ddOO 0 - - -Cdd-OO -1 * C 0 {2,D} {3,D} -2 O 0 {1,D} -3 O 0 {1,D} - - -Cx2bOO -1 * Cx2bOO 0 - - -Cx2bfOO -1 * Cx2bfOO 0 - - -Cx2NO -1 * Cx2NO 0 - - -Cx2sNO -1 * Cx2sNO 0 - - -Cx2dNO -1 * Cx2dNO 0 - - -Cds-ONRch -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 N 0 {1,S} -4 Rch 0 {1,S} - - -Cds-ONC -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 N 0 {1,S} -4 C 0 {1,S} - - -Cds-ONH -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 N 0 {1,S} -4 H 0 {1,S} - - -Cds-NORch -1 * C 0 {2,D} {3,S} {4,S} -2 N 0 {1,D} -3 O 0 {1,S} -4 Rch 0 {1,S} - - -Cds-CNO -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 N 0 {1,S} -4 O 0 {1,S} - - -Cx2ddNO -1 * Cx2ddNO 0 - - -Cx2tNO -1 * Cx2tNO 0 - - -Cx2bNO -1 * Cx2bNO 0 - - -Cx2bfNO -1 * Cx2bfNO 0 - - -Cx2FF -1 * Cx2FF 0 - - -Cx2sFF -1 * Cx2sFF 0 - - -Css-FFCC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 F 0 {1,S} -3 F 0 {1,S} -4 C 0 {1,S} -5 C 0 {1,S} - - -Css-FFCH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 F 0 {1,S} -3 F 0 {1,S} -4 C 0 {1,S} -5 H 0 {1,S} - - -Css-FFHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 F 0 {1,S} -3 F 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Cx2dFF -1 * Cx2dFF 0 - - -Cds-CFF -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 F 0 {1,S} -4 F 0 {1,S} - - -Cx2ClCl -1 * Cx2ClCl 0 - - -Cx2sClCl -1 * Cx2sClCl 0 - - -Css-ClClCC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cl 0 {1,S} -3 Cl 0 {1,S} -4 C 0 {1,S} -5 C 0 {1,S} - - -Css-ClClCH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cl 0 {1,S} -3 Cl 0 {1,S} -4 C 0 {1,S} -5 H 0 {1,S} - - -Css-ClClHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cl 0 {1,S} -3 Cl 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Cx2dClCl -1 * Cx2dClCl 0 - - -Cds-CClCl -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 Cl 0 {1,S} -4 Cl 0 {1,S} - - -Cx2BrBr -1 * Cx2BrBr 0 - - -Cx2sBrBr -1 * Cx2sBrBr 0 - - -Css-BrBrCC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Br 0 {1,S} -3 Br 0 {1,S} -4 C 0 {1,S} -5 C 0 {1,S} - - -Css-BrBrCH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Br 0 {1,S} -3 Br 0 {1,S} -4 C 0 {1,S} -5 H 0 {1,S} - - -Css-BrBrHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Br 0 {1,S} -3 Br 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Cx2dBrBr -1 * Cx2dBrBr 0 - - -Cds-CBrBr -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 Br 0 {1,S} -4 Br 0 {1,S} - - -Cx2OCl -1 * Cx2OCl 0 - - -Cx2sOCl -1 * Cx2sOCl 0 - - -Css-OClCC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} -3 Cl 0 {1,S} -4 C 0 {1,S} -5 C 0 {1,S} - - -Css-OClCH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} -3 Cl 0 {1,S} -4 C 0 {1,S} -5 H 0 {1,S} - - -Css-OClHH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} -3 Cl 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - - -Cx2dOCl -1 * Cx2dOCl 0 - - -Cds-OClRch -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Cl 0 {1,S} -4 Rch 0 {1,S} - - -Cds-COCl -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 O 0 {1,S} -4 Cl 0 {1,S} - - -Cx2bOCl -1 * Cx2bOCl 0 - - -Cb-COCl -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 Oa 0 {1,B} -4 Cl 0 {1,S} - - -Cx2FCl -1 * Cx2FCl 0 - - -Cx2sFCl -1 * Cx2sFCl 0 - - -Cx2dFCl -1 * Cx2dFCl 0 - - -Cds-CFCl -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 F 0 {1,S} -4 Cl 0 {1,S} - - -Cx2FBr -1 * Cx2FBr 0 - - -Cx2sFBr -1 * Cx2sFBr 0 - - -Cx2dFBr -1 * Cx2dFBr 0 - - -Cds-CFBr -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 F 0 {1,S} -4 Br 0 {1,S} - - -Cx2ClBr -1 * Cx2ClBr 0 - - -Cx2sClBr -1 * Cx2sClBr 0 - - -Cx2dClBr -1 * Cx2dClBr 0 - - -Cds-CClBr -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} -3 Cl 0 {1,S} -4 Br 0 {1,S} - - -Cx3 -1 * Cx3 0 - - -Cx3OOO -1 * Cx3OOO 0 - - -Cx3sOOO -1 * Cx3sOOO 0 - - -Css-OOOC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} -3 O 0 {1,S} -4 O 0 {1,S} -5 C 0 {1,S} - - -Css-OhOhOhCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Oh 0 {1,S} -5 Ch 0 {1,S} - - -Css-OhOhOhChs -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Oh 0 {1,S} -5 Chs 0 {1,S} - - -Css-OhOhOhChd -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Oh 0 {1,S} -5 Chd 0 {1,S} - - -Css-OhOhOhCht -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Oh 0 {1,S} -5 Cht 0 {1,S} - - -Css-OhOhOhChb -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Oh 0 {1,S} -5 Chb 0 {1,S} - - -Css-OxOhOhCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Oh 0 {1,S} -4 Oh 0 {1,S} -5 Ch 0 {1,S} - - -Css-OxOxOhCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Ox 0 {1,S} -4 Oh 0 {1,S} -5 Ch 0 {1,S} - - -Css-OxOxOxCh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Ox 0 {1,S} -4 Ox 0 {1,S} -5 Ch 0 {1,S} - - -Css-OhOhOhCx -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Oh 0 {1,S} -5 Cx 0 {1,S} - - -Css-OxOhOhCx -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Oh 0 {1,S} -4 Oh 0 {1,S} -5 Cx 0 {1,S} - - -Css-OxOxOhCx -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Ox 0 {1,S} -4 Oh 0 {1,S} -5 Cx 0 {1,S} - - -Css-OxOxOxCx -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Ox 0 {1,S} -4 Ox 0 {1,S} -5 Cx 0 {1,S} - - -Css-OOOH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 O 0 {1,S} -3 O 0 {1,S} -4 O 0 {1,S} -5 H 0 {1,S} - - -Cx3dOOO -1 * Cx3dOOO 0 - - -Cds-OOhOh -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 Oh 0 {1,S} - - -Cds-OOhOx -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Oh 0 {1,S} -4 Ox 0 {1,S} - - -Cds-OOxOx -1 * C 0 {2,D} {3,S} {4,S} -2 O 0 {1,D} -3 Ox 0 {1,S} -4 Ox 0 {1,S} - - -Cx3FFF -1 * Cx3FFF 0 - - -Css-FFFC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 F 0 {1,S} -3 F 0 {1,S} -4 F 0 {1,S} -5 C 0 {1,S} - - -Css-FFFH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 F 0 {1,S} -3 F 0 {1,S} -4 F 0 {1,S} -5 H 0 {1,S} - - -Cx3ClClCl -1 * Cx3ClClCl 0 - - -Css-ClClClC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cl 0 {1,S} -3 Cl 0 {1,S} -4 Cl 0 {1,S} -5 C 0 {1,S} - - -Css-ClClClH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Cl 0 {1,S} -3 Cl 0 {1,S} -4 Cl 0 {1,S} -5 H 0 {1,S} - - -Cx3BrBrBr -1 * Cx3BrBrBr 0 - - -Css-BrBrBrC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Br 0 {1,S} -3 Br 0 {1,S} -4 Br 0 {1,S} -5 C 0 {1,S} - - -Css-BrBrBrH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Br 0 {1,S} -3 Br 0 {1,S} -4 Br 0 {1,S} -5 H 0 {1,S} - - -Cx3FFCl -1 * Cx3FFCl 0 - - -Css-FFClC -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 F 0 {1,S} -3 F 0 {1,S} -4 Cl 0 {1,S} -5 C 0 {1,S} - - -Css-FFClH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 F 0 {1,S} -3 F 0 {1,S} -4 Cl 0 {1,S} -5 H 0 {1,S} - - -Cx4 -1 * Cx3 0 - - -Cx4OOOO -1 * Cx4OOOO 0 - - -Css-OhOhOhOh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Oh 0 {1,S} -3 Oh 0 {1,S} -4 Oh 0 {1,S} -5 Oh 0 {1,S} - - -Css-OxOhOhOh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Oh 0 {1,S} -4 Oh 0 {1,S} -5 Oh 0 {1,S} - - -Css-OxOxOhOh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Ox 0 {1,S} -4 Oh 0 {1,S} -5 Oh 0 {1,S} - - -Css-OxOxOxOh -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Ox 0 {1,S} -4 Ox 0 {1,S} -5 Oh 0 {1,S} - - -Css-OxOxOxOx -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Ox 0 {1,S} -3 Ox 0 {1,S} -4 Ox 0 {1,S} -5 Ox 0 {1,S} - - -N5x2 -1 * N5x2 0 - - -N5x3 -1 * N5x3 0 - - -N5x4 -1 * N5x4 0 - - -Phs -1 * Phs 0 - - -Phds -1 * Phds 0 - - -Phdd -1 * Phdd 0 - - -Phts -1 * Phts 0 - - -Phtd -1 * Phtd 0 - - - - - - - - - - - - - - - - diff --git a/output/RMG_database_sulfur/thermo_groups/New_Thermo_Library.txt b/output/RMG_database_sulfur/thermo_groups/New_Thermo_Library.txt deleted file mode 100644 index 66702d3c82..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/New_Thermo_Library.txt +++ /dev/null @@ -1,622 +0,0 @@ -//# Group H S Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 dH dS dCp Note -// unit -// H: kcal/mole -// S and Cp: cal/mole/K - - -1 C Cs-CsCsCsCs -2 Chbf Cbf-CbCbCbf -3 Cbf-ChbChbChbf 4.8 -5 3.01 3.68 4.2 4.61 5.2 5.7 6.2 0 0 0 "Cbf-CbfCbCb STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -4 Cbf-ChbChbfChbf 3.7 -5 3.01 3.68 4.2 4.61 5.2 5.7 6.2 0 0 0 "Cbf-CbfCbfCb STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -5 Cbf-ChbfChbfChbf 1.5 1.8 2 3.11 3.9 3.44 4.7 5.3 5.7 0 0 0 "Cbf-CbfCbfCbf STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -6 Chb Cb-ChbChbChs -7 Cb-ChChH 3.3 11.53 3.24 4.44 5.46 6.3 7.54 8.41 9.73 0 0 0 Cb-H BENSON -8 Cb-ChbChbOhs -0.9 -10.2 3.9 5.3 6.2 6.6 6.9 6.9 7.07 0 0 0 Cb-O BENSON Cp1500=3D Cp1000*(Cp1500/Cp1000: Cb/Cd) -9 Cb-ChChCh Cb-ChbChbChs -10 Cb-ChbChbChs 5.51 -7.69 2.67 3.14 3.68 4.15 4.96 5.44 4.98 0 0 0 Cb-Cs BENSON -11 Cb-ChbChbChd Cb-(Cb-ChbRch)(Cb-ChbRch)(Cds-ChdRch) -12 Cb-(Cb-CRch)(Cb-CRch)(Cds-ORch) 4.35 -6.56 5.39 6.64 7.4 7.76 8.03 8.14 7.66 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2287 -14 Cb-(Cb-ChbRch)(Cb-ChbRch)(Cds-ChdRch) 5.69 -7.8 3.59 3.97 4.38 4.72 5.28 5.61 5.75 0 0 0 "Cb-Cd STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -15 Cb-(Cb-ChbRch)(Cb-ChbRch)(Cds-ChddRch) Cb-(Cb-ChbRch)(Cb-ChbRch)(Cds-ChdRch) -18 Cb-ChbChbCht 5.69 -7.8 3.59 3.97 4.38 4.72 5.28 5.61 5.75 0 0 0 "Cb-Ct STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -19 Cb-ChbChbChb 4.96 -8.64 3.33 4.22 4.89 5.27 5.76 5.95 6.05 0 0 0 Cb-Cb BENSON -20 Cht Ct-ChtChs -21 Ct-ChtH 26.93 24.7 5.28 5.99 6.49 6.87 7.47 7.96 8.85 0 0 0 "Ct-H STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -22 Ct-ChOh 30.79 0.35 1.78 2.5 2.77 2.93 3.03 3.13 2.99 0 0 0 Bozzelli, J Phys. Chem. A 108 (2004) 8353-8382 -23 Ct-CC Ct-ChtChs -24 Ct-ChtChs 27.55 6.35 3.13 3.48 3.81 4.09 4.6 4.92 6.35 0 0 0 "Ct-Cs STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -25 Ct-ChtChd Ct-(Ct-Rch)(Cds-ChdRch) -28 Ct-(Ct-Rch)(Cds-ChdRch) 28.2 6.43 2.57 3.54 3.5 4.92 5.34 5.5 5.8 0 0 0 "Ct-Cd STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -29 Ct-(Ct-Rch)(Cds-ChddRch) Ct-(Ct-Rch)(Cds-ChdRch) -32 Ct-ChtCht 25.6 5.88 3.54 4.06 4.4 4.64 5 5.23 5.57 0 0 0 "Ct-Ct STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -33 Ct-ChtChb 24.67 6.43 2.57 3.54 3.5 4.92 5.34 5.5 5.8 0 0 0 "Ct-Cb STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -34 Chdd Cdd-ChdChd -41 Cdd-CC Cdd-ChdChd -41 Cdd-ChCh Cdd-ChdChd -49 Cdd-ChdChd 34.2 6 3.9 4.4 4.7 5 5.3 5.5 5.7 0 0 0 Benson's Ca -46 Cdd-ChdChdd Cdd-ChdChd "C=C=C*=C<, currently not defined. Assigned same value as Ca " -42 Cdd-ChddChdd Cdd-ChdChd -35 Cdd-OO -94.05 52.46 8.91 9.86 10.65 11.31 12.32 12.99 13.93 0 0 0 CHEMKIN DATABASE: S(group) = S(CO2) + Rln(2) -36 Cdd-CO Cdd-ChdOh -36 Cdd-ChOh Cdd-ChdOh -37 Cdd-ChdOh 0 0 0 0 0 0 0 0 0 0 0 0 O=C*=C< currently treat the adjacent C as Ck -38 Cdd-ChddOh Cdd-ChdOh -51 Cds-OHH -25.95 53.68 8.47 9.38 10.46 11.52 13.37 14.81 14.81 0 0 0 "CO-HH BENSON !!!WARNING! Cp1500 value taken as Cp1000, S(group) = S(CH2O) + Rln(2)" -54 Cds-OCH Cds-OChsH -54 Cds-OChH Cds-OChsH -55 Cds-OChsH -29.1 34.9 7.03 7.87 8.82 9.68 11.2 12.2 12.2 0 0 0 CO-CsH BENSON !!!WARNING! Cp1500 value taken as Cp1000 -56 Cds-OChdH Cds-(O)(Cds-ChdRch)(H) -63 Cds-OChtH Cds-(O)(Cds-ChdRch)(H) -64 Cds-OChbH -29.23 31.46 4.58 5.54 6.62 7.67 9.38 10.47 12.2 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2289 -58 Cds-(O)(Cds-ChRch)(H) Cds-(O)(Cds-ChdRch)(H) -59 Cds-(O)(Cds-ChdRch)(H) -29.23 35.1 7.55 8.82 9.95 10.95 12.39 13.13 14.1 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2288 -60 Cds-(O)(Cds-ChddRch)(H) Cds-(O)(Cds-ChdRch)(H) -57 Cds-(O)(Cds-ORch)(H) -25.3 33.4 7.45 8.77 9.82 10.7 12.14 12.9 12.9 0 0 0 "CO-COH Hf BENSON S,Cp =3D CO/Cs/H-del(Cd/Cd/H-Cd/Cs/H) !!!WARNING! Cp1500 value taken as Cp1000" -52 Cds-OOH -32.1 34.9 7.03 7.87 8.82 9.68 11.2 12.2 12.2 0 0 0 CO-OH BENSON !!!WARNING! Cp1500 value taken as Cp1000 -65 Cds-OOC Cds-OOhChs -66 Cds-OOhChs -35.1 10.04 6.1 6.7 7.4 8.02 8.87 9.36 9.36 0 0 0 CO-OCs Hf BENSON S STULL !!!WARNING! Cp1500 value taken as Cp1000 -67 Cds-OOhChd Cds-(O)(O-Rch)(Cds-ChdRch) -74 Cds-OOhCht Cds-(O)(O-Rch)(Cds-ChdRch) -75 Cds-OOhChb -36.6 14.78 5.97 6.7 7.4 8.02 8.87 9.36 9.36 0 0 0 CO-OCb RPS + S Coreected !!!WARNING! Cp1500 value taken as Cp1000 -69 Cds-(O)(O-Rch)(Cds-ChRch) Cds-(O)(O-Rch)(Cds-ChdRch) -70 Cds-(O)(O-Rch)(Cds-ChdRch) -32.1 14.78 5.97 6.7 7.4 8.02 8.87 9.36 9.36 0 0 0 CO-OCd RPS + S Coreected !!!WARNING! Cp1500 value taken as Cp1000 -71 Cds-(O)(O-Rch)(Cds-ChddRch) Cds-(O)(O-Rch)(Cds-ChdRch) -68 Cds-(O)(O-Rch)(Cds-ORch) -29.3 14.6 5.46 6.32 7.17 7.88 9 9.77 9.77 0 0 0 "CO-OCO Hf,S BOZZELLI Cp BENSON !!!WARNING! Cp1500 value taken as Cp1000" -53 Cds-OOhOh -31.45 10.78 5.97 6.7 7.4 8.02 8.87 9.36 9.36 0 0 0 "CO-OO BOZZELLI 8/91, S CO/C/O, Hf PEDLEY ccoc*oocc Bsn Hf-24 !!!WARNING! Cp1500 value taken as Cp1000" -76 Cds-OCC Cds-OChsChs -77 Cds-OChsChs -31.4 15.01 5.59 6.32 7.09 7.76 8.89 9.61 9.61 0 0 0 CO-CsCs BENSON !!!WARNING! Cp1500 value taken as Cp1000 -81 Cds-(O)(Chs)(Cds-ChdRch) -30.9 14.6 5.46 6.32 7.17 7.88 9 9.77 9.77 0 0 0 "CO-CdCs Hf BENSON =3D CO/Cb/C S,Cp !!!WARNING! Cp1500 value taken as Cp1000" -82 Cds-(O)(Chs)(Cds-ChddRch) Cds-(O)(Chs)(Cds-ChdRch) -93 Cds-(O)(Cds-ChdRch)(Cds-ChdRch) -30.9 14.6 5.46 6.32 7.17 7.88 9 9.77 9.77 0 0 0 CO-CdCd Estimate BOZZELLI !!!WARNING! Cp1500 value taken as Cp1000 -78 Cds-OChsChd Cds-(O)(Chs)(Cds-ChdRch) -85 Cds-OChdChd Cds-(O)(Cds-ChdRch)(Cds-ChdRch) -79 Cds-(O)(Chs)(Cds-ORch) -29.1 14.6 5.46 6.32 7.17 7.88 9 9.77 9.77 0 0 0 "CO-COCs Hf,S BOZZELLI Cp BENSON !!!WARNING! Cp1500 value taken as Cp1000" -88 Cds-(O)(Cds-ChdRch)(Cds-ORch) Cds-(O)(Chs)(Cds-ORch) -89 Cds-(O)(Cds-ChddRch)(Cds-ORch) Cds-(O)(Cds-ChdRch)(Cds-ChdRch) -94 Cds-(O)(Cds-ChdRch)(Cds-ChddRch) Cds-(O)(Cds-ChdRch)(Cds-ChdRch) -97 Cds-(O)(Cds-ChddRch)(Cds-ChddRch) Cds-(O)(Cds-ChdRch)(Cds-ChdRch) -86 Cds-(O)(Cds-ORch)(Cds-ORch) Cds-OChsChs -101 Cds-OChsCht Cds-(O)(Chs)(Cds-ChdRch) -102 Cds-OChdCht Cds-(O)(Cds-ChdRch)(Cds-ChdRch) -109 Cds-OChtCht Cds-(O)(Cds-ChdRch)(Cds-ChdRch) -110 Cds-OChsChb Cds-(O)(Chs)(Cds-ChdRch) -111 Cds-OChdChb Cds-(O)(Cds-ChdRch)(Cds-ChdRch) -118 Cds-OChtChb Cds-(O)(Cds-ChdRch)(Cds-ChdRch) -119 Cds-OChbChb Cds-(O)(Cds-ChdRch)(Cds-ChdRch)) -125 Cds-ChOhH Cds-ChdOhH -126 Cds-ChdOhH 2.03 6.2 4.75 6.46 7.64 8.35 9.1 9.56 10.46 0 0 0 "Cd-OH BOZZELLI Hf vin-oh RADOM + C/Cd/H, S&Cp LAY" -127 Cds-ChddOhH Cds-ChdOhH -128 Cds-(Cdd-O)(Oh)(H) 2.11 38.17 11.29 13.67 15.1 16.1 17.36 18.25 19.75 0 0 0 "{CCO/O/H} RAMAN & GREEN JPCA 2002, 106, 7937-7949" -133 Cds-(Cdd-O)(Oh)(Oh) 2.403 13.42 11.56 15.58 17.69 18.67 18.78 18.4 18.01 0 0 0 "{CCO/O2} RAMAN & GREEN JPCA 2002, 106, 7937-7949" -130 Cds-ChOhOh Cds-ChdOhOh -132 Cds-ChddOhOh Cds-(Cdd-O)(Oh)(Oh) -120 Cds-ChHH Cds-ChdHH -121 Cds-ChdHH 6.26 27.61 5.1 6.36 7.51 8.5 10.07 11.27 13.19 0 0 0 Cd-HH BENSON -122 Cds-ChddHH Cds-ChdHH -123 Cds-(Cdd-O)HH -11.34 57.47 12.08 13.91 15.4 16.64 18.61 20.1 22.47 0 0 0 "{CCO/H2} RAMAN & GREEN JPCA 2002, 106, 7937-7949" -135 Cds-ChChH Cds-ChdChsH -136 Cds-ChdChsH 8.59 7.97 4.16 5.03 5.81 6.5 7.65 8.45 9.62 0 0 0 Cd-CsH BENSON -144 Cds-ChdChtH 6.78 6.38 4.46 5.79 6.75 7.42 8.35 8.99 9.98 0 0 0 Cd-CtH BENSON -145 Cds-ChdChbH 6.66 5.47 4.01 5.66 6.84 7.62 8.61 9.23 10.13 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2292 -146 Cds-ChddChsH Cds-ChdChsH -139 Cds-(Cds-RchRch)(Cds-ChRch)(H) Cds-(Cds-RchRch)(Cds-ChdRch)(H) -140 Cds-(Cds-RchRch)(Cds-ChdRch)(H) 6.78 6.38 4.46 5.79 6.75 7.42 8.35 8.99 9.98 0 0 0 Cd-CdH BENSON -141 Cds-(Cds-RchRch)(Cds-ChddRch)(H) Cds-(Cds-RchRch)(Cds-ChdRch)(H) -137 Cds-ChdChdH Cds-(Cds-RchRch)(Cds-ChdRch)(H) -138 Cds-(Cds-RchRch)(Cds-ORch)(H) 4.32 6.38 4.46 5.79 6.75 7.42 8.35 9.11 10.09 0 0 0 "Cd-COH BOZZELLI lit rev Jul91 S,Cp Cd/Cd/H" -149 Cds-ChddChdH Cds-(Cds-RchRch)(Cds-ChdRch)(H) -162 Cds-ChddChtH Cds-ChdChtH -165 Cds-ChddChbH Cds-ChdChbH -156 Cds-(Cdd-C)(Cds-ORch)(H) Cds-(Cds-RchRch)(Cds-ORch)(H) -147 Cds-(Cdd-O)ChsH -4.947 40.04 10.31 11.72 12.94 13.98 15.71 16.95 18.78 0 0 0 "{CCO/H/C} RAMAN & GREEN JPCA 2002, 106, 7937-7949" -151 Cds-(Cdd-O)ChdH Cds-(Cdd-O)ChsH -163 Cds-(Cdd-O)ChtH Cds-(Cdd-O)ChsH -166 Cds-(Cdd-O)ChbH Cds-(Cdd-O)ChsH -154 Cds-(Cdd-O)(Cds-(Cdd-O)Rch)(H) -4.998 39.06 10.55 12.41 13.82 14.91 16.51 17.62 19.24 0 0 0 "{CCO/H/CCO} RAMAN & GREEN JPCA 2002, 106, 7937-7949" -155 Cds-(Cdd-O)(Cds-ChddRch)(H) Cds-(Cdd-O)ChsH -150 Cds-(Cdd-O)(Cds-ORch)(H) Cds-(Cdd-O)ChsH -168 Cds-CCO Cds-ChdChsOh -168 Cds-ChChOh Cds-ChdChsOh -169 Cds-ChdChsOh 8.2 -12.32 3.59 4.56 5.04 5.3 5.84 6.07 6.16 0 0 0 Bozzelli, J Phys. Chem. A 108 (2004) 8353-8372 -170 Cds-ChdChdOh Cds-(Cds-RchRch)(Cds-ChdRch)(Oh) -172 Cds-(Cds-RchRch)(Cds-ChRch)(Oh) Cds-(Cds-RchRch)(Cds-ChdRch)(Oh) -173 Cds-(Cds-RchRch)(Cds-ChdRch)(Oh) 9 -12.92 3.85 4.66 5.31 6.09 6.49 6.45 6.37 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2285 -174 Cds-(Cds-RchRch)(Cds-ChddRch)(Oh) Cds-(Cds-RchRch)(Cds-ChdRch)(Oh) -177 Cds-ChdChtOh Cds-(Cds-RchRch)(Cds-ChdRch)(Oh) -178 Cds-ChdChbOh 7.98 -14.25 3.52 4.23 4.8 5.5 5.65 5.85 6 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2283 -171 Cds-(Cds-RchRch)(Cds-ORch)(Oh) 5.13 -14.6 4.4 5.37 5.93 6.18 6.5 6.62 6.72 0 0 0 Cd-OCO adj BENSON for RADOM c*coh -179 Cds-ChddChsOh Cds-ChdChsOh -182 Cds-ChddChdOh Cds-(Cds-RchRch)(Cds-ChdRch)(Oh) -194 Cds-ChddChtOh Cds-ChdChtOh -197 Cds-ChddChbOh Cds-ChdChbOh -180 Cds-(CxddO)ChsOh 3.273 18.58 10.91 12.65 13.59 14.22 15 15.48 16.28 0 0 0 "{CCO/O/C} RAMAN & GREEN JPCA 2002, 106, 7937-7949" -184 Cds-(Cdd-O)(Cds-ChRch)(Oh) Cds-(Cdd-O)(Cds-ChdRch)(Oh) -185 Cds-(Cdd-O)(Cds-ChdRch)(Oh) Cds-(CxddO)ChsOh -186 Cds-(Cdd-O)(Cds-ChddRch)(Oh) Cds-(Cdd-O)(Cds-ChdRch)(Oh) -182 Cds-(Cdd-O)(Cds-CxRch)(Oh) Cds-(Cdd-O)(Cds-(Cdd-O)Rch)(Oh) -187 Cds-(Cdd-O)(Cds-(Cdd-O)Rch)(Oh) 1.607 17.73 11.01 12.97 14.17 14.97 15.8 16.26 16.88 0 0 0 "{CCO/O/CCO} RAMAN & GREEN JPCA 2002, 106, 7937-7949" -195 Cds-(CxddO)ChtOh Cds-(Cdd-O)(Cds-ChdRch)(Oh) -198 Cds-(CxddO)ChbOh Cds-(Cdd-O)(Cds-ChdRch)(Oh) -131 Cds-ChdOhOh 12.41 -9.22 3.56 3.37 3.64 4.69 5.35 5.76 6.31 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2278 -50 Chd Cds-ChdChsChs -200 Cds-CCC Cds-ChdChsChs -200 Cds-ChChCh Cds-ChdChsChs -201 Cds-ChdChsChs 10.34 -12.7 4.1 4.61 4.99 5.26 5.8 6.08 6.36 0 0 0 Cd-CsCs BENSON -202 Cds-ChdChdChs Cds-(Cds-RchRch)(Cds-ChdRch)(Chs) -209 Cds-ChdChdChd Cds-(Cds-RchRch)(Cds-ChdRch)(Cds-ChdRch) -225 Cds-ChdChtChs 8.11 -13.02 3.5 3.88 4.88 4.18 4.86 5.4 6.01 0 0 0 "Cd-CtCs RAMAN & GREEN JPCA 2002, 106, 11141-11149" -226 Cds-ChdChtChd Cds-(Cds-RchRch)(Ct-Ch)(Cds-ChdRch) -233 Cds-ChdChtCht 8.81 -13.42 3.36 3.7 5.37 3.71 4.49 5.21 5.98 0 0 0 "Cd-CtCt RAMAN & GREEN JPCA 2002, 106, 11141-11149" -234 Cds-ChdChbChs 10.8 -14.28 3.15 4.41 5.14 5.51 5.82 5.86 5.87 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2295 -235 Cds-ChdChbChd Cds-(Cds-RchRch)(Cb-CC)(Cds-ChRch) -242 Cds-ChdChbCht 6.7 -17.04 2.22 3.14 4.54 4.11 5.06 5.79 6.71 0 0 0 "Cd-CbCt Hf=3D est S,Cp mopac nov99" -243 Cds-ChdChbChb 8 -16.5 4.7 6.13 6.87 7.1 7.2 7.16 7.06 0 0 0 Cd-CbCb BOZZELLI =3D Cd/Cs/Cb + (Cd/Cs/Cb - Cd/Cs/Cs) -204 Cds-(Cds-RchRch)(Cds-ChRch)(Chs) Cds-(Cds-RchRch)(Cds-ChdRch)(Chs) -205 Cds-(Cds-RchRch)(Cds-ChdRch)(Chs) 8.88 -14.6 4.4 5.37 5.93 6.18 6.5 6.62 6.72 0 0 0 Cd-CdCs BENSON -206 Cds-(Cds-RchRch)(Cds-ChddRch)(Chs) Cds-(Cds-RchRch)(Cds-ChdRch)(Chs) -216 Cds-(Cds-RchRch)(Cds-ChRch)(Cds-ChRch) Cds-(Cds-RchRch)(Cds-ChdRch)(Cds-ChdRch) -217 Cds-(Cds-RchRch)(Cds-ChdRch)(Cds-ChdRch) 4.6 -15.67 1.9 2.69 3.5 4.28 5.57 6.21 7.37 0 0 0 "Cd-CdCd Hf=3D est S,Cp mopac nov99" -218 Cds-(Cds-RchRch)(Cds-ChdRch)(Cds-ChddRch) Cds-(Cds-RchRch)(Cds-ChdRch)(Cds-ChdRch) -221 Cds-(Cds-RchRch)(Cds-ChddRch)(Cds-ChddRch) Cds-(Cds-RchRch)(Cds-ChdRch)(Cds-ChdRch) -229 Cds-(Cds-RchRch)(Ct-Ch)(Cds-ChRch) Cds-(Cds-RchRch)(Ct-Ch)(Cds-ChdRch) -229 Cds-(Cds-RchRch)(Ct-Ch)(Cds-ChdRch) 7.54 -14.38 3.94 5.01 6.26 5.57 5.95 6.22 6.48 0 0 0 "Cd-CtCd RAMAN & GREEN JPCA 2002, 106, 11141-11149" -230 Cds-(Cds-RchRch)(Ct-Ch)(Cds-ChddRch) Cds-(Cds-RchRch)(Ct-Ch)(Cds-ChdRch) -237 Cds-(Cds-RchRch)(Cb-CC)(Cds-ChRch) 11.35 -15.78 5.52 6.56 6.95 7.04 6.9 6.51 6.06 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2296 -238 Cds-(Cds-RchRch)(Ct-Ch)(Cds-ChdRch) 7.18 -16.5 4.7 6.13 6.87 7.1 7.2 7.16 7.06 0 0 0 Cd-CbCd BOZZELLI =3D Cd/Cs/Cb + (Cd/Cs/Cd - Cd/Cs/Cs) -239 Cds-(Cds-RchRch)(Ct-Ch)(Cds-ChddRch) Cds-(Cds-RchRch)(Ct-Ch)(Cds-ChdRch) -211 Cds-(Cds-RchRch)(Cds-ORch)(Chd) Cds-(Cds-RchRch)(Cds-ORch)(Cds-ChdRch) -212 Cds-(Cds-RchRch)(Cds-ORch)(Cds-ChdRch) 7.37 -13.16 5.03 6.57 7.55 8.12 8.56 8.57 8.06 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2284 -213 Cds-(Cds-RchRch)(Cds-ORch)(Cds-ChddRch) Cds-(Cds-RchRch)(Cds-ORch)(Cds-ChdRch) -203 Cds-(Cds-RchRch)(Cds-ORch)(Chs) 7.5 -14.6 4.4 5.37 5.93 6.18 6.5 6.62 6.72 0 0 0 "Cd-COCs BENSON Hf, Cd/C/Cd =3D S,Cp" -213 Cds-(Cds-RchRch)(Cds-ORch)(Cht) 7.02 -22.74 2.29 3.12 4.25 3.51 3.91 4.35 4.63 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2286 -213 Cds-(Cds-RchRch)(Cds-ORch)(Chb) 12.76 -15.48 7.21 8.76 9.45 9.62 9.42 9.11 8.13 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2282 -244 Cds-ChddChsChs Cds-ChdChsChs -259 Cds-ChddChdChd Cds-(Cds-RchRch)(Cds-ChdRch)(Cds-ChdRch) -247 Cds-ChddChdChs Cds-(Cds-RchRch)(Cds-ChdRch)(Chs) -245 Cds-(Cdd-O)(Chs)(Chs) -1.644 20.02 9.82 10.74 11.53 13.22 13.46 14.28 15.35 0 0 0 "{CCO/C2} RAMAN & GREEN JPCA 2002, 106, 7937-7949" -252 Cds-(Cdd-O)(Cds-(Cdd-O)Rch)(Chs) -2.07 19.65 10.1 11.24 12.12 12.84 14 14.75 15.72 0 0 0 "{CCO/C/CCO} RAMAN & GREEN JPCA 2002, 106, 7937-7949" -245 Cds-(CxddO)ChCh Cds-(Cdd-O)(Chs)(Chs) -245 Cds-(Cdd-O)(Chd)(Chs) Cds-(Cdd-O)(Cds-(Cdd-O)Rch)(Chs) - -329 Chs Css-ChsChsChsChs -329 Css-CCCC Css-ChsChsChsChs -329 Css-ChChChCh Css-ChsChsChsChs -330 Css-HHHH -17.9 49.41 8.43 9.84 11.14 12.41 15 17.25 20.63 0 0 0 CHEMKIN DATABASE S(group) = S(CH4) + Rln(12) -331 Css-CHHH Css-ChsHHH -331 Css-ChHHH Css-ChsHHH -332 Css-ChsHHH -10.2 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 0 0 0 Cs-CsHHH BENSON -333 Css-ChdHHH Css-(Cds-ChRch)(H)(H)(H) -340 Css-ChtHHH -10.2 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 0 0 0 Cs-CtHHH BENSON (Assigned Cs-CsHHH) -341 Css-ChbHHH -10.2 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 0 0 0 Cs-CbHHH BENSON (Assigned Cs-CsHHH) -336 Css-(Cds-ChRch)(H)(H)(H) -10.2 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 0 0 0 Cs-CdHHH BENSON (Assigned Cs-CsHHH) -336 Css-(Cds-CxRch)(H)(H)(H) Css-(Cds-ChRch)(H)(H)(H) -334 Css-(CxsO)HHH Css-(Css-OCC)(H)(H)(H) -334 Css-(Css-OCC)(H)(H)(H) -10.08 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 0 0 0 Cs-COHHH BENSON: Cp1500 =3D Cp1000*(Cp1500/Cp1000: C/Cd/H3) -334 Css-(Css-OCH)(H)(H)(H) Css-(Css-OCC)(H)(H)(H) -334 Css-(Css-OHH)(H)(H)(H) Css-(Css-OCC)(H)(H)(H) -335 Css-(Cds-ChdRch)(H)(H)(H) Css-(Cds-ChRch)(H)(H)(H) -337 Css-(Cds-ChddRch)(H)(H)(H) Css-(Cds-ChRch)(H)(H)(H) -338 Css-(Cds-(Cdd-O)Rch)(H)(H)(H) -10.08 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 0 0 0 "{CCO/C/H3} RAMAN & GREEN JPCA 2002, 106, 7937-7949, assigened same value as Cs-CsHHH" -339 Css-(Cds-(Cdd-C)Rch)(H)(H)(H) Css-(Cds-ChRch)(H)(H)(H) -342 Css-OHHH -10.1 30.41 6.19 7.84 9.4 10.79 13.03 14.77 17.58 0 0 0 Cs-OHHH BENSON -343 Css-OOHH -15.23 9.42 5.5 6.95 8.25 9.35 11.07 12.34 12.34 0 0 0 "Cs-OOHH PEDLEY Hf, BOZZELLI C/C2/H2 !!!WARNING! Cp1500 value taken as Cp1000" -344 Css-OOOH -21.23 -12.07 4.54 6 7.17 8.05 9.31 10.05 10.05 0 0 0 "Cs-OOOH BOZZELLI del C/C2/O - C/C3/O, series !!!WARNING! Cp1500 value taken as Cp1000" - -345 Css-CCHH Css-ChsChsHH -345 Css-ChChHH Css-ChsChsHH -346 Css-ChsChsHH -4.93 9.42 5.5 6.95 8.25 9.35 11.07 12.34 14.25 0 0 0 Cs-CsCsHH BENSON -350 Css-ChsChdHH -4.76 9.8 5.12 6.86 8.32 9.49 11.22 12.48 14.36 0 0 0 Cs-CdCsHH BENSON -378 Css-ChtChtHH -0.82 10.04 4 6.07 7.71 9.03 10.88 12.3 12.48 0 0 0 "Cs-CtCtHH RAMAN & GREEN JPCA 2002, 106, 11141-11149" -379 Css-ChsChbHH -4.86 9.34 5.84 7.61 8.98 10.01 11.49 12.54 13.76 0 0 0 Cs-CbCsHH BENSON -387 Css-ChbChtHH -4.29 9.84 4.28 6.43 8.16 9.5 11.36 12.74 13.7 0 0 0 "Cs-CbCtHH Hf=Stein S,Cp=3D mopac nov99" -388 Css-ChbChbHH -4.29 8.07 5.67 7.7 9.31 10.52 12.21 13.47 15.11 0 0 0 "Cs-CbCbHH Hf=3Dbsn/Cs/Cd2/H2 S,Cp=3D mopac nov99" -370 Css-ChsChtHH -4.73 10.3 4.95 6.56 7.93 9.08 10.86 12.19 14.2 0 0 0 Cs-CtCsHH BENSON -354 Css-ChdChdHH Css-(Cds-ChdRch)(Cds-ChdRch)(H)(H) -361 Css-(Cds-ChRch)(Cds-ChRch)(H)(H) Css-(Cds-ChdRch)(Cds-ChdRch)(H)(H) -362 Css-(Cds-ChdRch)(Cds-ChdRch)(H)(H) -4.29 10.2 4.7 6.8 8.4 9.6 11.3 12.6 14.4 0 0 0 Cs-CdCdHH BENSON -380 Css-ChdChbHH Css-(Cds-ChdRch)(Cb-CC)(H)(H) -382 Css-(Cds-ChRch)(Cb-CC)(H)(H) Css-(Cds-ChdRch)(Cb-CC)(H)(H) -383 Css-(Cds-ChdRch)(Cb-CC)(H)(H) -4.29 2 4.51 6.76 8.61 10.01 11.97 13.4 15.47 0 0 0 "Cs-CbCdHH Hf=Stein S,Cp=3D mopac nov99" -384 Css-(Cds-ChddRch)(Cb-CC)(H)(H) Css-(Cds-ChdRch)(Cb-CC)(H)(H) -371 Css-ChdChtHH Css-(Cds-ChdRch)(Ct-C)(H)(H) -373 Css-(Cds-ChRch)(Ct-C)(H)(H) Css-(Cds-ChdRch)(Ct-C)(H)(H) -374 Css-(Cds-ChdRch)(Ct-C)(H)(H) -3.49 9.31 4.4 6.33 7.9 9.16 10.93 12.29 13.43 0 0 0 "Cs-CtCdHH RAMAN & GREEN JPCA 2002, 106, 11141-11149" -375 Css-(Cds-ChddRch)(Ct-C)(H)(H) Css-(Cds-ChdRch)(Ct-C)(H)(H) -356 Css-(Cds-ORch)ChdHH Css-(Cds-ORch)(Cds-ChdRch)(H)(H) -356 Css-(Cds-ORch)(Cds-ChRch)(H)(H) Css-(Cds-ORch)(Cds-ChdRch)(H)(H) -357 Css-(Cds-ORch)(Cds-ChdRch)(H)(H) -6.37 -1.79 9.08 11.65 13.87 15.74 18.5 20.61 37.47 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2274 -358 Css-(Cds-ORch)(Cds-ChddRch)(H)(H) Css-(Cds-ORch)(Cds-ChdRch)(H)(H) -367 Css-(Cds-(Cdd-O)Rch)(Cds-(Cdd-O)Rch)(H)(H) -5.301 7.18 6.68 8.28 9.58 10.61 12.04 13.13 14.87 0 0 0 "{C/H2/CCO2} RAMAN & GREEN JPCA 2002, 106, 7937-7949" -352 Css-(Chs)(Cds-(Cdd-O)Rch)(H)(H) -5.723 9.37 4.96 6.35 7.61 8.54 9.65 10.35 11.19 0 0 0 "{C/C/H2/CCO} RAMAN & GREEN JPCA 2002, 106, 7937-7949" -376 Css-(Cds-(Cdd-O)Rch)(Ct-C)(H)(H) Css-(Chs)(Cds-(Cdd-O)Rch)(H)(H) -348 Css-(Cds-ORch)ChsHH -5.2 9.6 6.2 7.7 8.7 9.5 11.1 12.2 14.07 0 0 0 Cs-COCsHH BENSON Cp1500 =3D Cp1000*(Cp1500/Cp1000: C/C/Cd/H2) -357 Css-(Cds-ORch)ChdHH Css-(Cds-ORch)(Cds-ChdRch)(H)(H) -372 Css-(Cds-ORch)ChtHH -5.4 7.68 3.85 6.22 8.01 9.43 11.29 12.76 12.76 0 0 0 "Cs-COCtHH BENSON Hf, Mopac =3D S,Cp nov99 !!!WARNING! Cp1500 value taken as Cp1000" -381 Css-(Cds-ORch)ChbHH -5.4 5.89 5.38 7.59 9.25 10.51 12.19 13.52 13.52 0 0 0 "Cs-COCbHH BENSON Hf, Mopac =3D S,Cp nov99 !!!WARNING! Cp1500 value taken as Cp1000" -355 Css-(Cds-ORch)(Cds-ORch)(H)(H) -7.6 5.82 5.03 7.44 9.16 10.49 12.17 13.57 13.57 0 0 0 "Cs-COCOHH BENSON Hf, Mopac =3D S,Cp nov99 !!!WARNING! Cp1500 value taken as Cp1000" - -389 Css-CCCH Css-ChsChsChsH -389 Css-ChChChH Css-ChsChsChsH -390 Css-ChsChsChsH -1.9 -12.07 4.54 6 7.17 8.05 9.31 10.05 11.17 0 0 0 Cs-CsCsCsH BENSON -391 Css-ChsChsChdH Css-ChsChs(Cds-ChdRch)H -398 Css-ChsChsChtH -1.72 -11.19 3.99 5.61 6.85 7.78 9.1 9.9 11.12 0 0 0 Cs-CtCsCsH BENSON -399 Css-ChsChsChbH -0.98 -12.15 4.88 6.66 7.9 8.75 9.73 10.25 10.68 0 0 0 Cs-CbCsCsH BENSON -393 Css-ChsChs(Cds-ChRch)H Css-ChsChs(Cds-ChdRch)H -394 Css-ChsChs(Cds-ChdRch)H -1.48 -11.69 4.16 5.91 7.34 8.19 9.46 10.19 11.28 0 0 0 Cs-CdCsCsH BENSON -397 Css-ChsChs(Cds-ChddRch)H -1.48 -11.69 4.16 5.91 7.34 8.19 9.46 10.19 11.28 0 0 0 Cs-CdCsCsH BENSON -396 Css-ChsChs(Cds-(Cdd-O)Rch)H -3.634 -12.31 4.96 6.35 7.61 8.54 9.65 10.35 11.19 0 0 0 "{C/C/H2/CCO} RAMAN & GREEN JPCA 2002, 106, 7937-7949" -400 Css-ChsChdChdH Css-(Chs)(Cds-ChdRch)(Cds-ChdRch)(H) -407 Css-(Chs)(Cds-ChRch)(Cds-ChRch)(H) Css-(Chs)(Cds-ChdRch)(Cds-ChdRch)(H) -408 Css-(Chs)(Cds-ChdRch)(Cds-ChdRch)(H) -1.1 -13.03 5.28 6.54 7.67 8.48 9.45 10.18 11.24 0 0 0 "Cs-CdCdCsH RAMAN & GREEN JPCA 2002, 106, 11141-11149" -409 Css-(Chs)(Cds-ChddRch)(Cds-ChdRch)(H) Css-(Chs)(Cds-ChdRch)(Cds-ChdRch)(H) -412 Css-(Chs)(Cds-ChddRch)(Cds-ChddRch)(H) Css-(Chs)(Cds-ChdRch)(Cds-ChdRch)(H) -413 Css-(Chs)(Cds-(Cdd-O)Rch)(Cds-(Cdd-O)Rch)(H) -3.714 -14.12 6.33 7.96 9.13 9.91 10.7 11.19 11.81 0 0 0 "{C/C/H/CCO2} RAMAN & GREEN JPCA 2002, 106, 7937-7949" -410 Css-(Chs)(Cds-(Cdd-O)Rch)(Cds-ChdRch)(H) Css-ChsChs(Cds-(Cdd-O)Rch)H -414 Css-(Chs)(Cds-(Cdd-O)Rch)(Cds-ChddRch)(H) Css-(Chs)(Cds-(Cdd-O)Rch)(Cds-ChdRch)(H) -416 Css-ChsChdChtH Css-(Chs)(Cds-ChdRch)(Ct-C)(H) -418 Css-(Chs)(Cds-ChRch)(Ct-C)(H) Css-(Chs)(Cds-ChdRch)(Ct-C)(H) -419 Css-(Chs)(Cds-ChdRch)(Ct-C)(H) -6.9 -13.48 5.55 7.21 8.39 9.17 10 10.61 10.51 0 0 0 "Cs-CtCdCsH RAMAN & GREEN JPCA 2002, 106, 11141-11149" -420 Css-(Chs)(Cds-ChddRch)(Ct-C)(H) Css-(Chs)(Cds-ChdRch)(Ct-C)(H) -423 Css-ChsChdChbH Css-(Chs)(Cds-ChdRch)(Cb-CC)(H) -425 Css-(Chs)(Cds-ChRch)(Cb-CC)(H) Css-(Chs)(Cds-ChdRch)(Cb-CC)(H) -426 Css-(Chs)(Cds-ChdRch)(Cb-CC)(H) -1.56 -11.77 4.5 6.57 8.07 8.89 9.88 10.39 10.79 0 0 0 Cs-CbCdCsH BOZZELLI =3D Cs/Cs2/Cd/H + (Cs/Cs2/Cb/H - Cs/Cs3/H) -427 Css-(Chs)(Cds-ChddRch)(Cb-CC)(H) Css-(Chs)(Cds-ChdRch)(Cb-CC)(H) -430 Css-ChsChtChtH 1.72 -11.61 3.27 5.32 6.9 8.03 9.33 10.21 9.38 0 0 0 "Cs-CtCtCsH RAMAN & GREEN JPCA 2002, 106, 11141-11149" -431 Css-ChsChbChtH -1.55 -11.65 4.33 6.27 7.58 8.48 9.52 10.1 10.63 0 0 0 Cs-CbCtCsH BOZZELLI =3D Cs/Cs2/Cb/H + (Cs/Cs2/Ct/H - Cs/Cs3/H) -432 Css-ChsChbChbH -1.06 -12.23 5.22 7.32 8.63 8.45 10.15 10.45 10.89 0 0 0 Cs-CbCbCsCs BOZZELLI =3D Cs/Cs2/Cb/H + (Cs/Cs2/Cb/H - Cs/Cs3/H) -433 Css-ChdChdChdH Css-(Cds-ChdRch)(Cds-ChdRch)(Cds-ChdRch)(H) -449 Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(H) Css-(Cds-ChdRch)(Cds-ChdRch)(Cds-ChdRch)(H) -450 Css-(Cds-ChdRch)(Cds-ChdRch)(Cds-ChdRch)(H) 0.41 -11.82 4.51 5.96 7.13 7.98 9.06 9.9 11.23 0 0 0 Cs-CdCdCdH RAMAN & GREEN JPC 2002 -451 Css-(Cds-ChddRch)(Cds-ChdRch)(Cds-ChdRch)(H) Css-(Cds-ChdRch)(Cds-ChdRch)(Cds-ChdRch)(H) -454 Css-(Cds-ChddRch)(Cds-ChddRch)(Cds-ChdRch)(H) Css-(Cds-ChdRch)(Cds-ChdRch)(Cds-ChdRch)(H) -458 Css-(Cds-ChddRch)(Cds-ChddRch)(Cds-ChddRch)(H) Css-(Cds-ChdRch)(Cds-ChdRch)(Cds-ChdRch)(H) -463 Css-ChdChdChtH Css-(Cds-ChdRch)(Cds-ChdRch)(Ct-C)(H) -470 Css-(Cds-ChRch)(Cds-ChRch)(Ct-C)(H) Css-(Cds-ChdRch)(Cds-ChdRch)(Ct-C)(H) -471 Css-(Cds-ChdRch)(Cds-ChdRch)(Ct-C)(H) 1.88 -13.75 6.68 7.85 8.62 9.16 9.81 10.42 10.49 0 0 0 "Cs-CtCdCdH RAMAN & GREEN JPCA 2002, 106, 11141-11149" -472 Css-(Cds-ChddRch)(Cds-ChdRch)(Ct-C)(H) Css-(Cds-ChdRch)(Cds-ChdRch)(Ct-C)(H) -475 Css-(Cds-ChddRch)(Cds-ChddRch)(Ct-C)(H) Css-(Cds-ChdRch)(Cds-ChdRch)(Ct-C)(H) -479 Css-ChdChdChbH Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(H) -486 Css-(Cds-ChRch)(Cds-ChRch)(Cb-CC)(H) Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(H) -487 Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(H) -1.39 -11.39 4.12 6.51 8.24 9 10.03 10.53 10.89 0 0 0 Cs-CbCdCdH BOZZELLI =3D Cs/Cs/Cd2/H + (Cs/Cs2/Cb/H - Cs/Cs3/H) -488 Css-(Cds-ChddRch)(Cds-ChdRch)(Cb-CC)(H) Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(H) -491 Css-(Cds-ChddRch)(Cds-ChddRch)(Cb-CC)(H) Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(H) -495 Css-ChdChtChtH Css-(Cds-ChdRch)(Ct-C)(Ct-C)(H) -497 Css-(Cds-ChRch)(Ct-C)(Ct-C)(H) Css-(Cds-ChdRch)(Ct-C)(Ct-C)(H) -498 Css-(Cds-ChdRch)(Ct-C)(Ct-C)(H) 4.73 -11.46 3.58 5.68 7.11 8.12 9.27 10.13 9.44 0 0 0 "Cs-CtCtCdH RAMAN & GREEN JPCA 2002, 106, 11141-11149" -499 Css-(Cds-ChddRch)(Ct-C)(Ct-C)(H) Css-(Cds-ChdRch)(Ct-C)(Ct-C)(H) -502 Css-ChdChbChtH Css-(Cds-ChdRch)(Cds-ChdRch)(Ct-C)(H) -509 Css-ChdChbChbH Css-(Cds-ChdRch)(Cds-ChdRch)(Cds-ChdRch)(H) -515 Css-ChtChtChtH 10.11 -10.46 3.03 5.27 6.78 7.88 9.14 10.08 8.47 0 0 0 "Cs-CtCtCtH RAMAN & GREEN JPCA 2002, 106, 11141-11149" -518 Css-ChbChbChbH -0.34 -12.31 5.56 7.98 9.36 10.15 10.57 10.65 9.7 0 0 0 Cs-CbCbCbH BOZZELLI =3D Cs/Cs/Cb2/H + (Cs/Cs2/Cb/H - Cs/Cs3/H) -517 Css-ChbChbChtH Css-(Cds-ChdRch)(Cds-ChdRch)(Ct-C)(H) -516 Css-ChbChtChtH Css-(Cds-ChdRch)(Ct-C)(Ct-C)(H) -392 Css-ChCh(CxO)H Css-ChsChs(Cds-ORch)H -392 Css-ChCh(CxdO)H Css-ChsChs(Cds-ORch)H -392 Css-ChCh(Cds-ORch)H Css-ChsChs(Cds-ORch)H -392 Css-ChsChs(Cds-ORch)H -1.7 -11.7 4.16 5.91 7.34 8.19 9.46 10.19 10.19 0 0 0 "Cs-COCsCsH BOZZELLI - BENSON Hf, S, -C/C2Cd/H =3D Cp !!!WARNING! Cp1500 value taken as Cp1000" -392 Css-ChdChd(Cds-ORch)H -1.43 -8.81 4.74 6.23 7.36 8.17 9.01 9.63 23.91 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2275 -392 Css-ChdCht(Cds-ORch)H 5 -25.82 -0.9 1.94 3.9 5.38 7.2 8.6 23.61 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2277 -392 Css-Chd(Cds-ORch)(Cds-ORch)H 3.79 -9.95 5.55 8.06 9.63 10.76 11.93 12.85 41.56 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2271 - -519 Css-CCCC Css-ChsChsChsChs -519 Css-ChChChCh Css-ChsChsChsChs -520 Css-ChsChsChsChs 0.5 -35.1 4.37 6.13 7.36 8.12 8.77 8.76 8.12 0 0 0 Cs-CsCsCsCs BENSON -528 Css-ChsChsChsCht 2.81 -35.18 4.37 6.79 8.09 8.78 9.19 8.96 7.63 0 0 0 Cs-CtCsCsCs BENSON -529 Css-ChsChsChsChb 2.81 -35.18 4.37 6.79 8.09 8.78 9.19 8.96 7.63 0 0 0 Cs-CbCsCsCs BENSON -521 Css-ChsChsChsChd Css-ChsChsChs(Cds-ChdRch) -523 Css-ChsChsChs(Cds-ChRch) Css-ChsChsChs(Cds-ChdRch) -524 Css-ChsChsChs(Cds-ChdRch) 1.68 -34.72 3.99 6.04 7.43 8.26 8.92 8.96 8.23 0 0 0 Cs-CdCsCsCs BENSON -525 Css-ChsChsChs(Cds-ChddRch) Css-ChsChsChs(Cds-ChdRch) -526 Css-ChsChsChs(Cds-(Cdd-O)Rch) -2.896 -34.87 4.48 6.06 7.31 8.07 8.59 8.66 8.29 0 0 0 "{C/C3/CCO} RAMAN & GREEN JPCA 2002, 106, 7937-7949" -530 Css-ChsChsChdChd Css-ChsChs(Cds-ChdRch)(Cds-ChdRch) -537 Css-ChsChs(Cds-ChRch)(Cds-ChRch) Css-ChsChs(Cds-ChdRch)(Cds-ChdRch) -538 Css-ChsChs(Cds-ChdRch)(Cds-ChdRch) 1.68 -34.72 3.99 6.04 7.43 8.26 8.92 8.96 8.23 0 0 0 Cs-CdCdCsCs BENSON -539 Css-ChsChs(Cds-ChddRch)(Cds-ChdRch) Css-ChsChs(Cds-ChdRch)(Cds-ChdRch) -542 Css-ChsChs(Cds-ChddRch)(Cds-ChddRch) Css-ChsChs(Cds-ChdRch)(Cds-ChdRch) -540 Css-ChsChs(Cds-(Cdd-O)Rch)(Cds-ChRch) Css-ChsChsChs(Cds-(Cdd-O)Rch) -544 Css-ChsChs(Cds-(Cdd-O)Rch)(Cds-ChRch) Css-ChsChsChs(Cds-(Cdd-O)Rch) -543 Css-ChsChs(Cds-(Cdd-O)Rch)(Cds-(Cdd-O)Rch) -2.987 -36.46 6.73 8.1 9.02 9.53 9.66 9.52 8.93 0 0 0 "{C/C2/CCO2} RAMAN & GREEN JPCA 2002, 106, 7937-7949" -553 Css-ChsChsChdChb Css-ChsChs(Cds-ChdRch)(Cb-CC) -555 Css-ChsChs(Cds-ChRch)(Cb-CC) Css-ChsChs(Cds-ChdRch)(Cb-CC) -556 Css-ChsChs(Cds-ChdRch)(Cb-CC) 2.99 -34.8 3.99 6.7 8.16 8.92 9.34 9.16 7.14 0 0 0 Cs-CbCdCsCs BOZZELLI =3D Cs/Cs3/Cb + (Cs/Cs3/Cd - Cs/Cs4) -557 Css-ChsChs(Cds-ChddRch)(Cb-CC) Css-ChsChs(Cds-ChdRch)(Cb-CC) -546 Css-ChsChsChdCht Css-ChsChs(Cds-ChdRch)(Ct-C) -548 Css-ChsChs(Cds-ChRch)(Ct-C) Css-ChsChs(Cds-ChdRch)(Ct-C) -549 Css-ChsChs(Cds-ChdRch)(Ct-C) 2.99 -34.8 3.99 6.7 8.16 8.92 9.34 9.16 7.14 0 0 0 Cs-CtCdCsCs BOZZELLI =3D Cs/Cs3/Cd + (Cs/Cs3/Ct - Cs/Cs4) -550 Css-ChsChs(Cds-ChddRch)(Ct-C) Css-ChsChs(Cds-ChdRch)(Ct-C) -560 Css-ChsChsChtCht 1.16 -35.26 3.57 5.98 7.51 8.37 9 9.02 8.34 0 0 0 Cs-CtCtCsCs BOZZELLI =3D Cs/Cs3/Ct + (Cs/Cs3/Ct - Cs/Cs4) -561 Css-ChsChsChbCht 1.16 -35.26 3.57 5.98 7.51 8.37 9 9.02 8.34 0 0 0 Cs-CbCtCsCs BOZZELLI =3D Cs/Cs3/Cb + (Cs/Cs3/Ct - Cs/Cs4) -562 Css-ChsChsChbChb 1.16 -35.26 3.57 5.98 7.51 8.37 9 9.02 8.34 0 0 0 Cs-CbCbCsCs BENSON -563 Css-ChsChdChdChd Css-Chs(Cds-ChdRch)(Cds-ChdRch)(Cds-ChdRch) -579 Css-Chs(Cds-ChRch)(Cds-ChRch)(Cds-ChRch) Css-Chs(Cds-ChdRch)(Cds-ChdRch)(Cds-ChdRch) -580 Css-Chs(Cds-ChdRch)(Cds-ChdRch)(Cds-ChdRch) 2.54 -33.96 3.32 5.86 7.57 8.54 9.22 9.36 8.45 0 0 0 Cs-CdCdCdCs BOZZELLI =3D Cs/Cs2/Cd2 + (Cs/Cs3/Cd - Cs/Cs4) -581 Css-Chs(Cds-ChddRch)(Cds-ChdRch)(Cds-ChdRch) Css-Chs(Cds-ChdRch)(Cds-ChdRch)(Cds-ChdRch) -584 Css-Chs(Cds-ChddRch)(Cds-ChddRch)(Cds-ChdRch) Css-Chs(Cds-ChdRch)(Cds-ChdRch)(Cds-ChdRch) -588 Css-Chs(Cds-ChddRch)(Cds-ChddRch)(Cds-ChddRch) Css-Chs(Cds-ChdRch)(Cds-ChdRch)(Cds-ChdRch) -593 Css-ChsChdChdCht Css-Chs(Cds-ChRch)(Cds-ChRch)(Ct-C) -600 Css-Chs(Cds-ChRch)(Cds-ChRch)(Ct-C) Css-Chs(Cds-ChdRch)(Cds-ChdRch)(Cds-ChdRch) -609 Css-ChsChdChdChb Cs-(Cds-Cds)(Cds-Cds)CbCs -616 Css-Chs(Cds-ChRch)(Cds-ChRch)(Cb-CC) Css-Chs(Cds-ChdRch)(Cds-ChdRch)(Cds-ChdRch) -625 Css-ChsChdChtCht Css-Chs(Cds-ChdRch)(Ct-C)(Ct-C) -627 Css-Chs(Cds-ChRch)(Ct-C)(Ct-C) Css-Chs(Cds-ChdRch)(Ct-C)(Ct-C) -628 Css-Chs(Cds-ChdRch)(Ct-C)(Ct-C) 5.1 -34.88 3.99 7.36 8.89 9.58 9.76 9.16 7.25 0 0 0 Cs-CtCtCdCs BOZZELLI =3D Cs/Cd2/Cs2 + (Cs/Cs3/Ct - Cs/Cs4) -629 Css-Chs(Cds-ChddRch)(Ct-C)(Ct-C) Css-Chs(Cds-ChdRch)(Ct-C)(Ct-C) -632 Css-ChsChdChbCht Css-Chs(Cds-ChdRch)(Cb-CC)(Ct-C) -634 Css-Chs(Cds-ChRch)(Cb-CC)(Ct-C) Css-Chs(Cds-ChdRch)(Cb-CC)(Ct-C) -635 Css-Chs(Cds-ChdRch)(Cb-CC)(Ct-C) 5.1 -34.88 3.99 7.36 8.89 9.58 9.76 9.16 7.25 0 0 0 Cs-CbCtCdCs BOZZELLI =3D Cs/Cb/Cd/Cs2 + (Cs/Cs3/Ct - Cs/Cs4) -636 Css-Chs(Cds-ChddRch)(Cb-CC)(Ct-C) Css-Chs(Cds-(Cdd-Ch)Rch)(Cb-CC)(Ct-C) -638 Css-Chs(Cds-(Cdd-Ch)Rch)(Cb-CC)(Ct-C) 5.1 -34.88 3.99 7.36 8.89 9.58 9.76 9.16 7.25 0 0 0 Cs-CbCtCdCs BOZZELLI =3D Cs/Cb/Cd/Cs2 + (Cs/Cs3/Ct - Cs/Cs4) -639 Css-ChsChdChbChb Css-Chs(Cds-ChdRch)(Cb-CC)(Cb-CC) -641 Css-Chs(Cds-ChRch)(Cb-CC)(Cb-CC) Css-Chs(Cds-ChdRch)(Cb-CC)(Cb-CC) -642 Css-Chs(Cds-ChdRch)(Cb-CC)(Cb-CC) 5.1 -34.88 3.99 7.36 8.89 9.58 9.76 9.16 7.25 0 0 0 Cs-CbCbCdCs BOZZELLI =3D Cs/Cs2/Cb2 + (Cs/Cs3/Cd - Cs/Cs4) -643 Css-Chs(Cds-ChddRch)(Cb-CC)(Cb-CC) Css-Chs(Cds-ChdRch)(Cb-CC)(Cb-CC) -646 Css-ChsChtChtCht 6.23 -35.34 4.37 8.11 9.55 10.1 10.03 9.36 6.65 0 0 0 Cs-CtCtCtCs BOZZELLI =3D Cs/Cs2/Ct2 + (Cs/Cs3/Ct - Cs/Cs4) -647 Css-ChsChbChtCht 6.23 -35.34 4.37 8.11 9.55 10.1 10.03 9.36 6.65 0 0 0 Cs-CbCtCtCs BOZZELLI =3D Cs/Cs2/Cb/Ct + (Cs/Cs3/Ct - Cs/Cs4) -648 Css-ChsChbChbCht 6.43 -35.34 4.37 8.11 9.55 10.1 10.03 9.36 6.65 0 0 0 Cs-CbCbCtCs BOZZELLI =3D Cs/Cs2/Cb2 + (Cs/Cs3/Ct - Cs/Cs4) -649 Css-ChsChbChbChb 6.23 -35.34 4.37 8.11 9.55 10.1 10.03 9.36 6.65 0 0 0 Cs-CbCbCbCs BOZZELLI =3D Cs/Cs2/Cb2 + (Cs/Cs3/Cb - Cs/Cs4) -650 Css-ChdChdChdChd Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(Cds-ChRch) -680 Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(Cds-ChRch) Css-ChsChsChsChs -700 Css-ChdChdChdCht Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(Ct-C) -716 Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(Ct-C) Css-ChsChsChsChs -730 Css-ChdChdChdCht Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(Cb-CC) -746 Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(Cb-CC) Css-ChsChsChsChs -760 Css-ChdChdChtCht Css-(Cds-ChdRch)(Cds-ChdRch)(Ct-C)(Ct-C) -767 Css-(Cds-ChRch)(Cds-ChRch)(Ct-C)(Ct-C) Css-(Cds-ChdRch)(Cds-ChdRch)(Ct-C)(Ct-C) -768 Css-(Cds-ChdRch)(Cds-ChdRch)(Ct-C)(Ct-C) 5.48 -34.5 3.61 7.3 8.97 9.69 9.84 9.42 7.36 0 0 0 Cs-CtCtCdCd BOZZELLI =3D Cs/Cs/Cd/Ct2 + (Cs/Cs3/Cd - Cs/Cs4) -769 Css-(Cds-ChddRch)(Cds-ChdRch)(Ct-C)(Ct-C) Css-(Cds-ChdRch)(Cds-ChdRch)(Ct-C)(Ct-C) -772 Css-(Cds-ChddRch)(Cds-ChddRch)(Ct-C)(Ct-C) Css-(Cds-ChdRch)(Cds-ChdRch)(Ct-C)(Ct-C) -776 Css-ChdChdChbCht Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(Ct-C) -783 Css-(Cds-ChRch)(Cds-ChRch)(Cb-CC)(Ct-C) Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(Ct-C) -784 Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(Ct-C) 5.48 -34.5 3.61 7.3 8.97 9.69 9.84 9.42 7.36 0 0 0 Cs-CbCtCdCd BOZZELLI =3D Cs/Cs/Cb/Cd2 + (Cs/Cs3/Ct - Cs/Cs4) -785 Css-(Cds-ChddRch)(Cds-ChdRch)(Cb-CC)(Ct-C) Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(Ct-C) -788 Css-(Cds-ChddRch)(Cds-ChddRch)(Cb-CC)(Ct-C) Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(Ct-C) -792 Css-ChdChdChbChb Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(Cb-CC) -799 Css-(Cds-ChRch)(Cds-ChRch)(Cb-CC)(Cb-CC) Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(Cb-CC) -800 Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(Cb-CC) 5.48 -34.5 3.61 7.3 8.97 9.69 9.84 9.42 7.36 0 0 0 Cs-CbCbCdCd BOZZELLI =3D Cs/Cs/Cb2/Cd + (Cs/Cs3/Cd - Cs/Cs4) -801 Css-(Cds-ChddRch)(Cds-ChdRch)(Cb-CC)(Cb-CC) Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(Cb-CC) -804 Css-(Cds-ChddRch)(Cds-ChddRch)(Cb-CC)(Cb-CC) Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(Cb-CC) -808 Css-ChdChdChtCht Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(Cds-ChRch) -814 Css-ChdChbChtCht Css-(Cds-ChRch)(Cds-ChRch)(Ct-C)(Ct-C) -821 Css-ChdChbChbCht Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(Ct-C) -828 Css-ChdChbChbChb Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(Cds-ChRch) -835 Css-ChtChtChtCht Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(Cds-ChRch) -836 Css-ChbChtChtCht Css-(Cds-ChRch)(Ct-C)(Ct-C)(Ct-C) -837 Css-ChbChbChtCht Css-(Cds-ChRch)(Cds-ChRch)(Ct-C)(Ct-C) -838 Css-ChbChbChbCht Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(Ct-C) -839 Css-ChbChbChbChb Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(Cds-ChRch) -522 Css-ChChCh(CxO) Css-ChsChsChs(Cds-ORch) -522 Css-ChChCh(CxdO) Css-ChsChsChs(Cds-ORch) -522 Css-ChChCh(Cds-ORch) Css-ChsChsChs(Cds-ORch) -522 Css-ChsChsChs(Cds-ORch) 1.4 -34.72 3.99 6.04 7.43 8.26 8.92 8.96 8.23 0 0 0 "Cs-COCsCsCs Hf BENSON S,Cp =3D C/Cd/C3" -522 Css-ChsChsChb(Cds-ORch) 5.53 -37.15 7.22 8.34 8.61 8.49 7.89 7.39 19.98 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2281 -840 Css-OCCC Css-OhChsChsChs -840 Css-OhChChCh Css-OhChsChsChs -841 Css-OhChsChsChs -6.6 -33.56 4.33 6.19 7.25 7.7 8.2 8.24 8.24 0 0 0 Cs-OCsCsCs BENSON !!!WARNING! Cp1500 value taken as Cp1000 -842 Css-OhChsChsChd Css-OhChsChs(Cds-ChdRch) -844 Css-OhChsChs(Cds-ChRch) Css-OhChsChs(Cds-ChdRch) -845 Css-OhChsChs(Cds-ChdRch) -6.6 -32.56 4.63 6.79 7.95 8.4 8.8 8.44 8.44 0 0 0 "Cs-OCdCsCs BOZZELLI C/C3/O - (C/C3/H - C/Cb/C2/H), Hf-1 !!!WARNING! Cp1500 value taken as Cp1000" -846 Css-OhChsChs(Cds-ChddRch) Css-OhChsChs(Cds-ChdRch) -848 Css-OhChsChs(Cds-(Cdd-Ch)Rch) Css-OhChsChs(Cds-ChdRch) -847 Css-OhChsChs(Cds-(CxO)Rch) Css-OhChsChs(Cds-(Cdd-O)Rch) -847 Css-OhChsChs(Cds-(CxddO)Rch) Css-OhChsChs(Cds-(Cdd-O)Rch) -847 Css-OhChsChs(Cds-(Cdd-O)Rch) -9.725 -36.5 8.39 9.66 10.03 10.07 9.64 9.26 8.74 0 0 0 "{C/CCO/O/C2} RAMAN & GREEN JPCA 2002, 106, 7937-7949" -849 Css-OhChsChsCht Css-OhChsChs(Cds-ChdRch) -850 Css-OhChsChsChb -6.6 -32.56 4.63 6.79 7.95 8.4 8.8 8.44 8.44 0 0 0 "Cs-OCbCsCs BOZZELLI C/C3/O - (C/C3/H - C/Cb/C2/H), Hf-1 !!!WARNING! Cp1500 value taken as Cp1000" -851 Css-OhChsChdChd Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -858 Css-OhChs(Cds-ChRch)(Cds-ChRch) Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -859 Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -8.01 -34.34 3.61 5.98 7.51 8.37 9 9.02 8.34 0 0 0 "Cs-OCdCdCs Hf jwb 697 S,Cp from C/Cd2/C2" -860 Css-OhChs(Cds-ChddRch)(Cds-ChdRch) Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -863 Css-OhChs(Cds-ChddRch)(Cds-ChddRch) Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -861 Css-OhChs(Cds-CxRch)(Cds-ChRch) Css-OhChsChs(Cds-(Cdd-O)Rch) -867 Css-OhChsChdCht Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -874 Css-OhChsChdChb Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -881 Css-OhChsChtCht Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -882 Css-OhChsChtChb Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -883 Css-OhChsChbChb Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -884 Css-OhChdChdChd Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -914 Css-OhChdChdCht Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -930 Css-OhChdChdChb Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -946 Css-OhChdChtCht Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -953 Css-OhChdChtChb Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -960 Css-OhChdChbChb Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -967 Css-OhChtChtCht Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -968 Css-OhChtChtChb Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -969 Css-OhChtChbChb Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -970 Css-OhChbChbChb Css-OhChs(Cds-ChdRch)(Cds-ChdRch) -843 Css-Oh(CxO)ChCh Css-Oh(Cds-ORch)ChsChs -843 Css-Oh(CxdO)ChCh Css-Oh(Cds-ORch)ChsChs -843 Css-Oh(Cds-ORch)ChCh Css-Oh(Cds-ORch)ChsChs -843 Css-Oh(Cds-ORch)ChsChs -3.6 -34.72 3.99 6.04 7.43 8.26 8.92 8.96 8.23 0 0 0 "Cs-OCOCsCs Hf BENSON S,Cp =3D C/Cd/C3" - - -1038 Css-OCCH Css-OhChsChsH -1038 Css-OhChChH Css-OhChsChsH -1039 Css-OhChsChsH -7.2 -11 4.8 6.64 8.1 8.73 9.81 10.4 11.51 0 0 0 Cs-OCsCs BENSON: Cp1500 =3D Cp1000*(Cp1500/Cp1000: C/C2Cd/H) -1040 Css-OhChsChdH Css-OhChs(Cds-ChdRch)H -1042 Css-OhChs(Cds-ChRch)H Css-OhChs(Cds-ChdRch)H -1043 Css-OhChs(Cds-ChdRch)H -6 -11.1 4.47 6.82 8.45 9.17 10.24 10.8 11.02 0 0 0 Cs-OCdCsH BOZZELLI -1044 Css-OhChs(Cds-ChddRch)H Css-OhChs(Cds-ChdRch)H -1045 Css-OhChs(Cds-CxRch)H Css-OhChs(Cds-(Cdd-O)Rch)H -1045 Css-OhChs(Cds-(Cx1)Rch)H Css-OhChs(Cds-(Cdd-O)Rch)H -1045 Css-OhChs(Cds-(CxO)Rch)H Css-OhChs(Cds-(Cdd-O)Rch)H -1045 Css-OhChs(Cds-(Cdd-O)Rch)H -8.37 -13.04 7.2 8.49 9.33 9.92 10.5 10.92 11.71 0 0 0 "{C/CCO/O/C/H} RAMAN & GREEN JPCA 2002, 106, 7937-7949" -1047 Css-OhChdChdH Css-Oh(Cds-ChdRch)(Cds-ChdRch)H -1054 Css-Oh(Cds-ChRch)(Cds-ChRch)H Css-Oh(Cds-ChdRch)(Cds-ChdRch)H -1055 Css-Oh(Cds-ChdRch)(Cds-ChdRch)H -4.15 -12.57 2.35 4.8 5.92 6.28 6 5.67 5.88 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2273 -1056 Css-Oh(Cds-ChddRch)(Cds-ChdRch)H Css-Oh(Cds-ChdRch)(Cds-ChdRch)H -1057 Css-Oh(Cds-(CxO)Rch)(Cds-ChRch)H Css-OhChs(Cds-(Cdd-O)Rch)H -1057 Css-Oh(Cds-(Cdd-O)Rch)(Cds-ChRch)H Css-OhChs(Cds-(Cdd-O)Rch)H -1059 Css-Oh(Cds-ChddRch)(Cds-ChddRch)H Css-Oh(Cds-ChdRch)(Cds-ChdRch)H -1063 Css-OhChsChtH Css-OhChs(Cds-ChdRch)H -1064 Css-OhChdChtH Css-Oh(Cds-ChdRch)(Cds-ChdRch)H -1071 Css-OhChtChtH Css-Oh(Cds-ChdRch)(Cds-ChdRch)H -1072 Css-OhChsChbH -6 -11.1 4.47 6.82 8.45 9.17 10.24 10.8 11.02 0 0 0 Cs-OCbCsH BOZZELLI =3D C/Cd/C/H/O Jul 91 -1073 Css-OhChdChbH Css-Oh(Cds-ChdRch)(Cds-ChdRch)H -1080 Css-OhChtChbH Css-Oh(Cds-ChdRch)(Cds-ChdRch)H -1081 Css-OhChbChbH Css-Oh(Cds-ChdRch)(Cds-ChdRch)H -1041 Css-Oh(CxO)ChH Css-Oh(Cds-ORch)ChsH -1041 Css-Oh(CxdO)ChH Css-Oh(Cds-ORch)ChsH -1041 Css-Oh(Cds-ORch)ChH Css-Oh(Cds-ORch)ChsH -1041 Css-Oh(Cds-ORch)ChsH -6 -11.1 4.47 6.82 8.45 9.17 10.24 10.8 11.02 0 0 0 Cs-OCOCsH BOZZELLI -1082 Css-OCHH Css-OhChsHH -1082 Css-OhChHH Css-OhChsHH -1083 Css-OhChsHH -8.1 9.8 4.99 6.85 8.3 9.43 11.11 12.33 12.33 0 0 0 Cs-OCsHH BENSON !!!WARNING! Cp1500 value taken as Cp1000 -1084 Css-OhChdHH Css-Oh(Cds-ChdRch)HH -1086 Css-Oh(Cds-ChRch)HH Css-Oh(Cds-ChdRch)HH -1087 Css-Oh(Cds-ChdRch)HH -6.76 9.8 5.12 6.86 8.32 9.49 11.22 12.48 14.4 0 0 0 Cs-OCdHH BOZZELLI Hf PEDLEY c*ccoh C/C/Cd/H2 -1088 Css-Oh(Cds-ChddRch)HH Css-Oh(Cds-ChdRch)HH -1089 Css-Oh(Cds-CxRch)HH Css-Oh(Cds-(Cdd-O)Rch)HH -1089 Css-Oh(Cds-(CxO)Rch)HH Css-Oh(Cds-(Cdd-O)Rch)HH -1089 Css-Oh(Cds-(Cdd-O)Rch)HH -8.68 8.43 7.15 8.67 9.75 10.65 11.93 12.97 14.86 0 0 0 "{C/CCO/O/H2} RAMAN & GREEN JPCA 2002, 106, 7937-7949" -1091 Css-OhChtHH -6.76 9.8 5.12 6.86 8.32 9.49 11.22 12.48 14.4 0 0 0 Cs-OCtHH BOZZELLI assigned C/Cd/H2/O -1092 Css-OhChbHH 6.71 7.62 7.03 8.98 10.32 11.17 12.14 12.87 14.01 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2279 -1085 Css-Oh(Cds-ORch)HH -5.28 10.17 2.95 6.74 8.53 9.8 11.61 12.65 14.4 0 0 0 Cs-OCOHH jwl 99 cdsQ cc*ocq -971 Css-OOCC Css-OhOhChsChs -971 Css-OhOhChCh Css-OhOhChsChs -972 Css-OhOhChsChs -9.77 -33.18 3.8 6.09 7.3 7.78 8.24 8.24 8.24 0 0 0 Cs-OOCsCs BOZZELLI =3D C/C3/O - (C/C2/H2 - C/C/H2/O) !!!WARNING! Cp1500 value taken as Cp1000 -973 Css-OhOhChsChd Css-OhOhChsChs -996 Css-OhOhChsCht Css-OhOhChsChs -1005 Css-OhOhChsChb -15.53 -41.24 8.89 11.88 12.81 12.59 11.23 10.06 8.55 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2280 -980 Css-OhOhChdChd -15.20 -39.25 7.83 11.51 13.29 13.62 12.55 11.34 9.74 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2276 -997 Css-OhOhChdCht Css-OhOhChsChs -1006 Css-OhOhChdChb Css-OhOhChsChs -1004 Css-OhOhChtCht Css-OhOhChsChs -1013 Css-OhOhChtChb Css-OhOhChsChs -1014 Css-OhOhChbChb Css-OhOhChsChs -1014 Css-(O-Rch)(O-Rch)(Cds-ORch)(Ch) -15.47 -38.54 6.01 8.88 10.43 10.98 10.77 10.31 23.35 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2272 -1014 Css-(O-Rch)(O-Rch)(Cds-ORch)(H) -14.18 -14.14 6.04 9.48 11.37 12.16 12.38 12.39 26.19 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2270 -1027 Css-OOCH Css-OhOhChsH -1027 Css-OhOhChH Css-OhOhChsH -1028 Css-OhOhChsH -16 -12.07 5.25 7.1 8.81 9.55 10.31 11.05 11.05 0 0 0 "Cs-OOCsH BENSON Hf, BOZZELLI C/C3/H - C/C2/O/H !!!WARNING! Cp1500 value taken as Cp1000" -1029 Css-OhOhChdH Css-OhOhChsH -1036 Css-OhOhChtH Css-OhOhChsH -1037 Css-OhOhChbH Css-OhOhChsH -1015 Css-OOOC Css-OhOhOhChs -1015 Css-OhOhOhCh Css-OhOhOhChs -1016 Css-OhOhOhChs -19 -33.56 4.33 6.19 7.25 7.7 8.2 8.24 8.24 0 0 0 Cs-OOOCs BOZZELLI est !!!WARNING! Cp1500 value taken as Cp1000 -1017 Css-OhOhOhChd Css-OhOhOhChs -1024 Css-OhOhOhCht Css-OhOhOhChs -1025 Css-OhOhOhChb Css-OhOhOhChs -1026 Cx4OOOO Css-OhOhOhOh -1026 Css-OhOhOhOh -23 -35.56 4.33 6.13 7.25 7.7 8.2 8.24 8.24 0 0 0 Cs-OOOO BOZZELLI est !!!WARNING! Cp1500 value taken as Cp1000 - -1026 Css-N3hHHH -10.08 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 0 0 0 From Benson -1026 Css-N3hCHH -6.6 9.8 5.25 6.9 8.28 9.39 11.09 12.34 14.8 0 0 0 "From Benson, Cp1500 estimated crudely" -1026 Css-N3hCCH -5.2 -11.7 4.67 6.32 7.64 8.39 9.56 10.23 11.5 0 0 0 "From Benson, Cp1500 estimated crudely" -1026 Css-N3hCCC -3.2 -34.1 4.35 6.16 7.31 7.91 8.49 8.5 8.5 0 0 0 "From Benson, Cp1500 estimated crudely" -1026 Css-N5hRchRchRch Css-N3hHHH -1026 Cb-CCN -0.5 -9.69 3.95 5.21 5.94 6.32 6.53 6.56 6.6 0 0 0 "From Benson, Cp1500 estimated crudely" -1026 Cds-ONH -29.6 34.93 7.03 7.87 8.82 9.68 11.16 12.2 14 0 0 0 "From Benson, Cp1500 estimated crudely" -1026 Cds-ONC -32.8 16.2 5.37 6.17 7.07 7.66 9.62 11.19 14 0 0 0 "From Benson, Cp1500 estimated crudely" -1026 Cb-ChCh(Ct-N) -1026 Ct-Ch(Ct-N) - - -1027 Css-FFFC -168.93 41.36 12.54 14.81 16.50 17.71 19.27 20.10 21.01 0 0 0 Journal of Chemical Thermodynamics 39 (2007) 1418-1422 -1027 Css-FFFH -166.6 66.06 12.24 14.59 16.54 18.11 20.35 21.73 23.64 0 0 0 NIST Webbook for Trifluoro-methane -1027 Css-ClClClC -20.7 50.4 16.3 18.0 19.1 19.8 20.6 21.0 21.7 0 0 0 "From Benson, Cp1500 estimated crudely" -1027 Css-ClClClH -24.7 70.65 15.67 17.76 19.25 20.37 21.89 22.82 24.17 0 0 0 NIST Webbook for Trifluoro-methane -1027 Css-BrBrBrC 11.3 55.7 16.7 18.0 18.8 19.4 19.9 20.3 21 0 0 0 "S & Cp From Benson, Cp1500 estimated crudely; Hf from NIST Webbook value for CH3CBr3 and Benson's C-CHHH group" -1027 Css-FFClC -106.3 40.5 13.7 16.1 17.5 18.5 20.0 21 22 0 0 0 "From Benson, Cp600-1500 estimated crudely" -1027 Css-FFClH -115.1 67.15 13.70 16.05 17.83 19.21 21.11 22.27 23.91 0 0 0 NIST Webbook for Chlorodifluoro-methane -1027 Css-FFCC -111.76 14.57 10.54 12.28 13.81 14.70 16.12 16.76 17.30 0 0 0 Journal of Chemical Thermodynamics 39 (2007) 1418-1423 -1027 Css-FFCH -102.3 39.1 9.9 12.0 13.5 15.1 17 18 20 0 0 0 "From Benson, Cp400,800-1500 estimated crudely" -1027 Css-FFHH -107.7 58.96 10.27 12.22 14.08 15.71 18.23 19.97 22.56 0 0 0 From NIST webbook for difluoro-methane -1027 Cds-CFF -88.89 38.48 9.03 10.75 11.94 12.78 13.84 14.45 15.16 0 0 0 Journal of Chemical Thermodynamics 39 (2007) 1418-1424 -1027 Css-ClClCC -22.0 22.4 12.2 14.0 15.4 16.5 17.9 18.7 20.2 0 0 0 "From Benson, Cp400-1500 from Css-ClClCH" -1027 Css-ClClCH -18.9 43.7 12.1 14.0 15.4 16.5 17.9 18.7 20.2 0 0 0 "From Benson, Cp1500 estimated crudely" -1027 Css-ClClHH -22.83 64.60 12.20 14.25 15.92 17.29 19.34 20.75 22.94 0 0 0 From NIST webbook for dichloro-methane -1027 Cds-CClCl -1.8 42.1 11.4 12.5 13.3 13.9 14.6 15.0 15.5 0 0 0 "From Benson, Cp1500 estimated crudely" -1027 Css-OClCH -21.6 15.9 9.0 9.9 10.5 11.2 12.2 13.0 14.0 0 0 0 "From Benson, Cp800-1500 estimated crudely" -1027 Css-FCHH -51.5 35.4 8.1 10.0 12.0 13.0 15.2 16.6 18.5 0 0 0 "From Benson, Cp1500 estimated crudely" -1027 Cds-CFC -34.92 13.34 7.11 8.04 8.92 9.42 10.35 10.83 11.32 0 0 0 Journal of Chemical Thermodynamics 39 (2007) 1418-1426 -1027 Cds-CFH -37.6 32.8 6.8 8.4 9.5 10.5 11.8 12.7 14.2 0 0 0 "From Benson, Cp1500 estimated crudely" -1027 Cb-CCF -42.8 16.1 6.3 7.6 8.5 9.1 9.8 10.2 10.7 0 0 0 "From Benson, Cp1500 estimated crudely" -1027 Css-ClCCC -12.8 5.4 9.3 10.5 11.0 11.3 11.8 12.2 12.7 0 0 0 "From Benson, Cp800-1500 estimated crudely" -1027 Css-ClCCH -14.8 17.6 9.0 9.9 10.5 11.2 12.2 13.0 14.0 0 0 0 "From Benson, Cp800-1500 estimated crudely" -1027 Css-ClCHH -16.5 37.8 8.9 10.7 12.3 13.4 15.3 16.7 18.7 0 0 0 "From Benson, Cp1500 estimated crudely" -1027 Cds-CClH -1.2 34.5 7.9 9.2 10.3 11.2 12.3 13.1 14.7 0 0 0 "From Benson, Cp1500 estimated crudely" -1027 Cb-CCCl -3.8 18.9 7.4 8.4 9.2 9.7 10.2 10.4 10.8 0 0 0 "From Benson, Cp1500 estimated crudely" -1027 Css-BrCCC -0.4 -2.0 9.3 11.0 12.2 13.0 14.2 14.8 16.0 0 0 0 "From Benson, Cp500-1000 from Css-ICCH; Cp1500 estimated crudely" -1027 Css-BrCHH-5.4 40.8 9.1 11.0 12.6 13.7 15.5 16.8 18.0 0 0 0 "From Benson, Cp1500 estimated crudely" -1027 Cds-CBrH 11.0 38.3 8.1 9.5 10.6 11.4 12.4 13.2 15.0 0 0 0 "From Benson, Cp1500 estimated crudely" -1027 Cb-CCBr 8.5 21.6 7.8 8.7 9.4 9.9 10.3 10.5 10.7 0 0 0 "From Benson, Cp1500 estimated crudely" -1027 Css-ICCH 10.5 21.3 9.2 10.9 12.2 13.0 14.2 14.8 16.0 0 0 0 "From Benson, Cp1500 estimated crudely" -1027 Css-ICHH 8.0 43.0 9.2 11.0 12.9 13.9 15.8 17.2 19.0 0 0 0 "From Benson, Cp1500 estimated crudely" -1027 Cds-CIH 24.5 40.5 8.8 10.0 10.9 11.6 12.6 13.3 14.5 0 0 0 "From Benson, Cp1500 estimated crudely" -1027 Cb-CCI 22.5 23.7 8.0 8.9 9.6 9.9 10.3 10.5 10.8 0 0 0 "From Benson, Cp1500 estimated crudely" -1027 Ct-CF 0.26 32.65 7.53 8.06 8.40 8.66 9.06 9.38 9.87 0 0 0 Journal of Chemical Thermodynamics 39 (2007) 1418-1427 - -1028 Css-SCCC -0.55 -34.4 4.57 6.27 7.45 8.15 8.72 8.10 8.0 0 0 0 "From Benson, Cp1500 estimated crudely" -1028 Css-SCCH -2.64 -11.3 4.85 6.51 7.78 8.69 9.90 10.57 11.75 0 0 0 "From Benson, Cp1500 estimated crudely" -1028 Css-SCHH -5.65 9.88 5.38 7.08 8.60 9.97 12.26 14.15 17.0 0 0 0 "From Benson, Cp1500 estimated crudely" -1028 Css-SHHH -10.1 30.41 6.19 7.84 9.40 10.79 13.02 14.77 17.5 0 0 0 "From Benson, Cp1500 estimated crudely" -1028 Cds-CSC 10.93 -12.4 3.5 3.57 3.83 4.09 4.41 5.00 6.0 0 0 0 "From Benson, Cp1500 estimated crudely" -1028 Cds-CSH 8.56 8.0 4.16 5.03 5.81 6.50 7.65 8.45 10.0 0 0 0 "From Benson, Cp1500 estimated crudely" -1028 Cb-CCS -1.8 10.2 3.90 5.30 6.20 6.60 6.90 6.90 6.90 0 0 0 "From Benson, Cp1500 estimated crudely" - - - -1093 O Os-CsCs -1097 Ohs Oss-(Cds-ChRch)(Cds-ChRch) -1094 Ohd Od-Chd -1095 Od-C Od-(Cds-RchRch) -1095 Od-(Cx1) Od-(Cds-RchRch) -1095 Od-(CxO) Od-(Cds-RchRch) -1095 Od-(Cds-RchRch) 0 0 0 0 0 0 0 0 0 0 0 0 In this case the C is treated as the central atom -1098 Oss-HH -57.8 46.51 8.03 8.19 8.42 8.68 9.26 9.86 11.26 0 0 0 "O-HH WATER. !!!Using NIST value for H2O, S(group) = S(H2O) + Rln(2)" -1101 Oss-CH Oss-(CxsO)H -1101 Oss-(Cx1)H Oss-(CxsO)H -1106 Oss-(CxsO)H -37.9 29.07 4.3 4.5 4.82 5.23 6.02 6.61 7.44 0 0 0 O-CsH BENSON -1103 Oss-(CxdO)H Oss-(Cds-ChRch)H -1105 Oss-(Cds-ChRch)H -46.3 25.34 4.68 6.02 7.02 7.72 8.22 8.38 8.59 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2258 -1102 Oss-(CxtO)H -37.9 29.1 4.3 4.4 4.82 5.23 6.02 6.61 7.44 0 0 0 Bozzelli, J Phys. Chem. A 108 (2004) 8353-8377 -1107 Oss-(CxbO)H Oss-(Cds-ChRch)H -1115 Oss-CC Oss-(Cds-ChRch)(Cds-ChRch) -1115 Oss-(Cx1)(Cx1) Oss-(Cds-ChRch)(Cds-ChRch) -1115 Oss-(CxO)(CxO) Oss-(Cds-ChRch)(Cds-ChRch) -1129 Oss-(CxsO)(CxsO) -24.04 8.68 4.14 3.55 3.28 3.13 3.18 3.21 3 0 0 0 Chen and Bozzelli, J Phys. Chem. A 107 (2003) 4531-4546 -1126 Oss-(CxsO)(CxdO) Oss-(CxsO)(Cds-ChRch) -1128 Oss-(CxsO)(Cds-ChRch) -23.73 9.7 3.91 4.31 4.6 4.84 5.32 5.8 5.8 0 0 0 O-CdCs Hf RADOM vin-oh S A.Baldwin O/Cs/O !!!WARNING! Cp1500 value taken as Cp1000 -1120 Oss-(CxsO)(CxtO) -21.91 10.01 2.54 2.36 2.62 2.94 3.62 4.05 4.36 0 0 0 Bozzelli, J Phys. Chem. A 108 (2004) 8353-8381 -1130 Oss-(CxsO)(CxbO) -22.6 9.7 3.4 3.7 3.7 3.8 4.4 4.6 4.6 0 0 0 "O-CbCs REID, PRAUSNITZ and SHERWOOD !!!WARNING! Cp1500 value taken as Cp1000" -1122 Oss-(CxdO)(CxdO) Oss-(Cds-ChRch)(Cds-ChRch) -1125 Oss-(Cds-ChRch)(Cds-ChRch) -35.87 11.18 2.91 3.24 3.61 3.97 4.39 4.33 4.35 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2291 -1117 Oss-(CxdO)(CxtO) Oss-(Cds-ChRch)(Cds-ChRch) -1116 Oss-(CxtO)(CxtO) Oss-(Cds-ChRch)(Cds-ChRch) -1121 Oss-(CxtO)(CxbO) Oss-(Cds-ChRch)(Cds-ChRch) -1131 Oss-(CxbO)(CxbO) -18.77 13.59 1.19 -0.24 -0.72 -0.51 0.43 1.36 1.75 0 0 0 "O-CbCb CHERN 1/97 Hf PEDLEY, Mopac" -1104 Oss-(Cx2+)H Oss-(Cds-ORch)H -1104 Oss-(Cx2OO)H Oss-(Cds-ORch)H -1104 Oss-(Cx2dOO)H Oss-(Cds-ORch)H -1104 Oss-(Cds-ORch)H -58.1 24.5 3.8 5 5.8 6.3 7.2 7.8 7.8 0 0 0 O-COH !!!WARNING! Cp1500 value taken as Cp1000 -1127 Oss-(Cx2OO)(Cx1) Oss-(Cds-ORch)(CxsO) -1127 Oss-(Cx2dOO)(Cx1) Oss-(Cds-ORch)(CxsO) -1127 Oss-(Cds-ORch)(Cx1) Oss-(Cds-ORch)(CxsO) -1127 Oss-(Cds-ORch)(CxO) Oss-(Cds-ORch)(CxsO) -1127 Oss-(Cds-ORch)(CxsO) -42.19 8.4 3.91 4.31 4.6 4.84 5.32 5.8 5.8 0 0 0 "O-COCs BOZZELLI Jul91 S,Cp ABaldwin O/Cs/O !!!WARNING! Cp1500 value taken as Cp1000" -1127 Oss-(Cds-ORch)(CxbO) -34.99 7.64 3.84 5.25 5.88 6.16 6.11 6.97 19.07 0 0 0 Bozzelli, J Phys. Chem. A 109 (2005) 2233-2290 -1123 Oss-(Cx2OO)(Cx2OO) Oss-(Cds-ORch)(Cds-ORch) -1123 Oss-(Cx2dOO)(Cx2dOO) Oss-(Cds-ORch)(Cds-ORch) -1123 Oss-(Cds-ORch)(Cds-ORch) -46 2.5 3.45 4.74 5.28 4.74 5.89 6.1 6.1 0 0 0 "O-COCO Hf BENSON S,Cp Mopac=3D" -1096 Od-O 0 25.19 3.5 3.61 3.72 3.825 4.035 4.175 4.36 0 0 0 "O2 Kee et al., SAND87-8215B, 1994, we cut it half to account for adding two single Od groups, also the symmetric number is considered too. S(group) = (S(o2) + Rln(sigma))/2" -1099 Oss-OH -16.3 27.83 5.21 5.72 6.17 6.66 7.15 7.61 8.43 0 0 0 O-OH SANDIA 1/2*H2O2 -1108 Oss-OC Oss-(Oss-Rch)(CxsO) -1113 Oss-(Oss-Rch)(CxsO) -5.4 8.54 3.9 4.31 4.6 4.84 5.32 5.8 5.8 0 0 0 O-OCs LAY 1997 !!!WARNING! Cp1500 value taken as Cp1000 -1110 Oss-(Oss-Rch)(CxdO) Oss-(Oss-Rch)(Cds-ChRch) -1112 Oss-(Oss-Rch)(Cds-ChRch) -11.27 8.53 3.2 3.39 3.63 3.75 4.07 4.18 4.17 0 0 0 Bozzelli, J Phys. Chem. A 108 (2004) 8353-8384 -1109 Oss-(Oss-Rch)(CxtO) -0.77 6.55 1.11 1.31 1.67 1.85 2.45 2.73 2.89 0 0 0 Bozzelli, J Phys. Chem. A 108 (2004) 8353-8383 -1114 Oss-(Oss-Rch)(CxbO) -1.98 10.7 2.85 2.92 3.02 3.09 3.48 3.66 3.23 0 0 0 Bozzelli, J Phys. Chem. A 108 (2004) 8353-8385 -1111 Oss-(Oss-Rch)(Cds-ORch) -23.22 9.11 3.53 5.02 5.79 6.08 6.54 6.49 6.49 0 0 0 O-OCO jwl cbsQ 99 cqcho=20 !!!WARNING! Cp1500 value taken as Cp1000 -1100 Oss-OO 8.85 9.4 2.2 3.64 4.2 4.34 4.62 4.9 4.9 0 0 0 O-OO LAY 1997=20 !!!WARNING! Cp1500 value taken as Cp1000 - -1199 N3s-HHH -10.97 46.073 8.53 9.26 10.05 10.82 12.25 13.5 15.91 0 0 0 From NIST Webbook for NH3 -1200 N3s-CHH 4.8 29.71 5.72 6.51 7.32 8.07 9.41 10.47 12.28 0 0 0 From Benson's group values -1201 N3s-CCH 15.4 8.94 4.2 5.21 6.13 6.83 7.9 8.65 9.55 0 0 0 From Benson's group values -1202 N3s-CCC 24.4 -13.46 3.18 4.56 5.43 5.97 6.56 6.67 6.5 0 0 0 From Benson's group values -1203 N3s-NHH 11.4 29.13 6.1 7.38 8.43 9.27 10.54 11.52 13.19 0 0 0 From Benson's group values -1204 N3s-NCH 20.9 9.61 4.82 5.8 6.5 7 7.8 8.3 9 0 0 0 From Benson's group values -1205 N3s-NCC -1206 N3d-NH 25.1 26.8 4.38 4.89 5.44 5.94 6.77 7.42 8.44 0 0 0 From Benson's group values -1207 N3s-(Cds-ORch)(H)(H) -14.9 24.69 4.07 5.74 7.13 8.29 9.96 11.22 13 0 0 0 From Benson's group values (Cp1500 crudely estimated) -1208 N3t-N3 0 45.78 6.9 7.02 7.15 7.28 7.54 7.78 8.25 0 0 0 From NIST Webbook for N2 diff --git a/output/RMG_database_sulfur/thermo_groups/New_Thermo_Tree.txt b/output/RMG_database_sulfur/thermo_groups/New_Thermo_Tree.txt deleted file mode 100644 index 16039b6bf4..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/New_Thermo_Tree.txt +++ /dev/null @@ -1,1851 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// Thermochemical Tree -// -// Rob Ashcraft - New tree format to (hopefully) be much more extensible -// Nov 1, 2007 -// -///////////////////////////////////////////////////////////////////// - -////////////////////////////////////////////////////////////////// -// Thermo Tree & Nomenclature for groups -// R Anything -// R!H Anything except a hydrogen atom -// Rch A carbon or hydrogen atom -// Rx Anything except a carbon or hydrogen atom -// Rs Anything except H that has one single bond and the rest undefined -// Rd Anything except H that has one double bond and the rest undefined -// Rt Anything except H that has one triple bond and the rest undefined -// Rbz Anything except H that has one benzene bond and the rest undefined -// -// G4 Any group 4 atom -// G5 Any group 5 atom -// G6 Any group 6 atom -// G7 Any group 7 atom -// -// H Hydrogen atom -// -// C Carbon atom, bonds are still not defined -// Ch Carbon atom bonded only to C and H -// Cx Carbon atom bonded to at least one atom that is not C or H -// Cx1 Carbon atom bonded to exactly one atom that is not C or H -// Cx2+ Carbon atom bonded to at least two atoms that are not C or H -// Cx2 Carbon atom bonded to exactly two atoms that are not C or H -// Cx3 Carbon atom bonded to exactly three atoms that are not C or H -// Cx4 Carbon atom bonded to exactly four atoms that are not C or H -// -// Css Carbon atom with four single bonds -// Cds Carbon atom with one double bond and two single bonds -// Cdsd Carbon atom with two double bonds -// Ct Carbon atom with one triple bond and one single bond -// Cb Carbon atom belonging to a benzene ring -// Cbf Carbon atom belonging to a fused benzene ring -// CO Carbon with a double bonded O and two single bonds -// -// Si Silicon atom with undefined bonding -// Sis Silicon atom with four single bonds -// Sid Silicon atom with one double bond and two single bonds -// Sidd Silicon atom with two double bonds -// Sit Silicon atom with one triple bond and one single bond -// -// N Generic nitrogen, 3-valent or 5-valent -// N3 3-valent nitrogen with undefined bonding -// N3s 3-valent nitrogen with 3 single bonds -// N3d 3-valent nitrogen with one double and one single -// N3t 3-valent nitrogen with 1 triple bond -// N3b 3-valent nitrogen in an aromatic ring -// N5 5-valent nitrogen with undefined bonding -// N5d 5-valent nitrogen with one double and 3 single bonds -// N5dd 5-valent nitrogen with two double and one single bond -// N5td 5-valent nitrogen with one triple and one double bond -// -// P 5-valent Phophorus with undefined bonding -// Ps with five single bonds -// Pds with one double and three single bonds -// Pdd with two double and one single bond -// Pts with one triple and three double bonds -// Ptd with one triple and one double bond -// -// O Oxygen atom with undefined bonding -// Oss Oxygen atom with two single bonds -// Od Oxygen atom with one double bond -// -// S generic sulfur atom, 2-valent or 6-valent -// S2 2-valent sulfur with undefined bonding -// S6 6-valent sulfur with undefined bonding -// S2s Sulfur with two single bonds -// S2d Sulfur with one double bond -// S6s with six single bonds -// S6ds with four single and one double bond -// S6dd with two double and two single bonds -// -// F Fluorine atom with one single bond -// Cl Chlorine atom with one single bond -// Br Bromine atom with one single bond -// I Iodine with one single bond -// -// Important general forms that are used with all atoms -// {atom}x{group}: {atom} is bonded to one heteroatom in group {group} (e.g. CxG6 is a carbon bonded to one heteroatom in group 6, O or S) -// {atom}x2{group}{group*}: {atom} is bonded to two heteroatoms in groups {group} and {group*} -// :::: this is extended to 'x3', 'x4', and further if necessary -// -// {atom}x!{group}: {atom} is bonded to one heteroatom NOT in group {group} (e.g. Cx!G4 is a carbon bonded to one heteroatom that is not in group 4) -// {atom}x!{group}{group*}: {atom} is bonded to one heteroatom NOT in groups {group} or {group*} (e.g. Cx!G4G5 is a carbon bonded to one heteroatom that is not in group 4 or 5) -// :::: this is extended to as many groups as needed and also to multiple heteroatoms with 'x2', 'x3', 'x4', and further if necessary -// *** the above two templates are also used with {atom} in place of {group} -// -// {atom}h{bonding}: {atom} is bonded only to H and C with {bonding} bond types (e.g. Chd is a carbon with one double and two single bonds only bonded to C and H) -// {atom}x{bonding}: {atom} is bonded to at least one heteroatom with {bonding} bond types; how the heteroatom is bonded is still not defined (e.g. Cxd is a carbon with one double and two single bonds attached to at least one heteroatom) -// -// {atom}x3{bonding}{atom1}{atom2}{atom3}: This specifies the number of heteroatoms, the type of heteroatom, and how the central atom is bonded -// *** this is also used for 'x', 'x2', etc -// *** an example of this would be N5x3ddOOO, which is a 5-valent nitrogen with two double and one single bond, bonded to three heteroatoms, which are all oxygens. This would be a nitrate-type group -// -// Others-{parent node}: The "Others" is meant to capture all unlisted daughter node possibilities for a given {parent node}. This is used when it would be difficult to specify all of the daughter nodes of a parent. -// *** Generally it is required for daughter nodes to span the entire set of possibilities for a given parent (if you list one daughter, you must list them all or use the "Others" syntax) -////////////////////////////////////////////////////////////////// - -L0: R - L1: G4 - L2: C - L3: Ch - L4: Chs - L5: Css-CCCC - L6: Css-ChChChCh - L7: Css-ChsChsChsChs - L7: Css-ChsChsChsChd - L8: Css-ChsChsChs(Cds-ChRch) - L9: Css-ChsChsChs(Cds-ChdRch) - L9: Css-ChsChsChs(Cds-ChddRch) - L8: Css-ChsChsChs(Cds-CxRch) - L9: Css-ChsChsChs(Cds-(Cx1)Rch) - L10: Css-ChsChsChs(Cds-(CxO)Rch) - L11: Css-ChsChsChs(Cds-(CxdO)Rch) - L11: Css-ChsChsChs(Cds-(CxddO)Rch) - L12: Css-ChsChsChs(Cds-(Cdd-O)Rch) - L10: Others-Css-ChsChsChs(Cds-(Cx1)Rch) - L9: Css-ChsChsChs(Cds-(Cx2+)Rch) - L7: Css-ChsChsChsChb - L7: Css-ChsChsChsCht - L7: Css-ChsChsChdChd - L8: Css-ChsChs(Cds-ChRch)(Cds-ChRch) - L9: Css-ChsChs(Cds-ChdRch)(Cds-ChdRch) - L9: Css-ChsChs(Cds-ChddRch)(Cds-ChdRch) - L9: Css-ChsChs(Cds-ChddRch)(Cds-ChddRch) - L8: Css-ChsChs(Cds-CxRch)(Cds-ChRch) - L9: Css-ChsChs(Cds-(Cx1)Rch)(Cds-ChRch) - L10: Css-ChsChs(Cds-(CxO)Rch)(Cds-ChRch) - L11: Css-ChsChs(Cds-(CxdO)Rch)(Cds-ChRch) - L11: Css-ChsChs(Cds-(CxddO)Rch)(Cds-ChRch) - L12: Css-ChsChs(Cds-(Cdd-O)Rch)(Cds-ChRch) - L10: Others-Css-ChsChs(Cds-(Cx1)Rch)(Cds-ChRch) - L9: Css-ChsChs(Cds-(Cx2+)Rch)(Cds-ChRch) - L8: Css-ChsChs(Cds-CxRch)(Cds-CxRch) - L9: Css-ChsChs(Cds-(Cx1)Rch)(Cds-(Cx1)Rch) - L10: Css-ChsChs(Cds-(CxO)Rch)(Cds-(CxO)Rch) - L11: Css-ChsChs(Cds-(CxdO)Rch)(Cds-(CxdO)Rch) - L11: Css-ChsChs(Cds-(CxddO)Rch)(Cds-(CxdO)Rch) - L11: Css-ChsChs(Cds-(CxddO)Rch)(Cds-(CxddO)Rch) - L12: Css-ChsChs(Cds-(Cdd-O)Rch)(Cds-(Cdd-O)Rch) - L10: Others-Css-ChsChs(Cds-(Cx1)Rch)(Cds-(Cx1)Rch) - L9: Css-ChsChs(Cds-(Cx2+)Rch)(Cds-(Cx1)Rch) - L9: Css-ChsChs(Cds-(Cx2+)Rch)(Cds-(Cx2+)Rch) - L7: Css-ChsChsChdChb - L8: Css-ChsChs(Cds-ChRch)(Cb-CC) - L9: Css-ChsChs(Cds-ChdRch)(Cb-CC) - L9: Css-ChsChs(Cds-ChddRch)(Cb-CC) - L8: Css-ChsChs(Cds-CxRch)(Cb-CC) - L7: Css-ChsChsChdCht - L8: Css-ChsChs(Cds-ChRch)(Ct-C) - L9: Css-ChsChs(Cds-ChdRch)(Ct-C) - L9: Css-ChsChs(Cds-ChddRch)(Ct-C) - L8: Css-ChsChs(Cds-CxRch)(Ct-C) - L7: Css-ChsChsChbChb - L7: Css-ChsChsChbCht - L7: Css-ChsChsChtCht - L7: Css-ChsChdChdChd - L8: Css-Chs(Cds-ChRch)(Cds-ChRch)(Cds-ChRch) - L9: Css-Chs(Cds-ChdRch)(Cds-ChdRch)(Cds-ChdRch) - L9: Css-Chs(Cds-ChddRch)(Cds-ChdRch)(Cds-ChdRch) - L9: Css-Chs(Cds-ChddRch)(Cds-ChddRch)(Cds-ChdRch) - L9: Css-Chs(Cds-ChddRch)(Cds-ChddRch)(Cds-ChddRch) - L8: Css-Chs(Cds-CxRch)(Cds-ChRch)(Cds-ChRch) - L8: Css-Chs(Cds-CxRch)(Cds-CxRch)(Cds-ChRch) - L8: Css-Chs(Cds-CxRch)(Cds-CxRch)(Cds-CxRch) - L7: Css-ChsChdChdChb - L8: Css-Chs(Cds-ChRch)(Cds-ChRch)(Cb-CC) - L8: Css-Chs(Cds-CxRch)(Cds-ChRch)(Cb-CC) - L8: Css-Chs(Cds-CxRch)(Cds-CxRch)(Cb-CC) - L7: Css-ChsChdChdCht - L8: Css-Chs(Cds-ChRch)(Cds-ChRch)(Ct-C) - L8: Css-Chs(Cds-CxRch)(Cds-ChRch)(Ct-C) - L8: Css-Chs(Cds-CxRch)(Cds-CxRch)(Ct-C) - L7: Css-ChsChdChbChb - L8: Css-Chs(Cds-ChRch)(Cb-CC)(Cb-CC) - L9: Css-Chs(Cds-ChdRch)(Cb-CC)(Cb-CC) - L9: Css-Chs(Cds-ChddRch)(Cb-CC)(Cb-CC) - L8: Css-Chs(Cds-CxRch)(Cb-CC)(Cb-CC) - L7: Css-ChsChdChbCht - L8: Css-Chs(Cds-ChRch)(Cb-CC)(Ct-C) - L9: Css-Chs(Cds-ChdRch)(Cb-CC)(Ct-C) - L9: Css-Chs(Cds-ChddRch)(Cb-CC)(Ct-C) - L10: Css-Chs(Cds-(Cdd-Ch)Rch)(Cb-CC)(Ct-C) - L10: Css-Chs(Cds-(Cdd-Cx)Rch)(Cb-CC)(Ct-C) - L8: Css-Chs(Cds-CxRch)(Cb-CC)(Ct-C) - L7: Css-ChsChdChtCht - L8: Css-Chs(Cds-ChRch)(Ct-C)(Ct-C) - L9: Css-Chs(Cds-ChdRch)(Ct-C)(Ct-C) - L9: Css-Chs(Cds-ChddRch)(Ct-C)(Ct-C) - L8: Css-Chs(Cds-CxRch)(Ct-C)(Ct-C) - L7: Css-ChsChbChbChb - L7: Css-ChsChbChbCht - L7: Css-ChsChbChtCht - L7: Css-ChsChtChtCht - L7: Css-ChdChdChdChd - L8: Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(Cds-ChRch) - L8: Css-(Cds-CxRch)(Cds-ChRch)(Cds-ChRch)(Cds-ChRch) - L8: Css-(Cds-CxRch)(Cds-CxRch)(Cds-ChRch)(Cds-ChRch) - L8: Css-(Cds-CxRch)(Cds-CxRch)(Cds-CxRch)(Cds-ChRch) - L8: Css-(Cds-CxRch)(Cds-CxRch)(Cds-CxRch)(Cds-CxRch) - L7: Css-ChdChdChdChb - L8: Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(Cb-CC) - L8: Css-(Cds-CxRch)(Cds-ChRch)(Cds-ChRch)(Cb-CC) - L8: Css-(Cds-CxRch)(Cds-CxRch)(Cds-ChRch)(Cb-CC) - L8: Css-(Cds-CxRch)(Cds-CxRch)(Cds-CxRch)(Cb-CC) - L7: Css-ChdChdChdCht - L8: Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(Ct-C) - L8: Css-(Cds-CxRch)(Cds-ChRch)(Cds-ChRch)(Ct-C) - L8: Css-(Cds-CxRch)(Cds-CxRch)(Cds-ChRch)(Ct-C) - L8: Css-(Cds-CxRch)(Cds-CxRch)(Cds-CxRch)(Ct-C) - L7: Css-ChdChdChbChb - L8: Css-(Cds-ChRch)(Cds-ChRch)(Cb-CC)(Cb-CC) - L9: Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(Cb-CC) - L9: Css-(Cds-ChddRch)(Cds-ChdRch)(Cb-CC)(Cb-CC) - L9: Css-(Cds-ChddRch)(Cds-ChddRch)(Cb-CC)(Cb-CC) - L8: Css-(Cds-CxRch)(Cds-ChRch)(Cb-CC)(Cb-CC) - L8: Css-(Cds-CxRch)(Cds-CxRch)(Cb-CC)(Cb-CC) - L7: Css-ChdChdChbCht - L8: Css-(Cds-ChRch)(Cds-ChRch)(Cb-CC)(Ct-C) - L9: Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(Ct-C) - L9: Css-(Cds-ChddRch)(Cds-ChdRch)(Cb-CC)(Ct-C) - L9: Css-(Cds-ChddRch)(Cds-ChddRch)(Cb-CC)(Ct-C) - L8: Css-(Cds-CxRch)(Cds-ChRch)(Cb-CC)(Ct-C) - L8: Css-(Cds-CxRch)(Cds-CxRch)(Cb-CC)(Ct-C) - L7: Css-ChdChdChtCht - L8: Css-(Cds-ChRch)(Cds-ChRch)(Ct-C)(Ct-C) - L9: Css-(Cds-ChdRch)(Cds-ChdRch)(Ct-C)(Ct-C) - L9: Css-(Cds-ChddRch)(Cds-ChdRch)(Ct-C)(Ct-C) - L9: Css-(Cds-ChddRch)(Cds-ChddRch)(Ct-C)(Ct-C) - L8: Css-(Cds-CxRch)(Cds-ChRch)(Ct-C)(Ct-C) - L8: Css-(Cds-CxRch)(Cds-CxRch)(Ct-C)(Ct-C) - L7: Css-ChdChbChbChb - L7: Css-ChdChbChbCht - L7: Css-ChdChbChtCht - L7: Css-ChdChtChtCht - L7: Css-ChbChbChbChb - L7: Css-ChbChbChbCht - L7: Css-ChbChbChtCht - L7: Css-ChbChtChtCht - L7: Css-ChtChtChtCht - L6: Css-ChChChCx - L7: Css-ChChCh(Cx1) - L8: Css-ChChCh(CxG4) - L8: Css-ChChCh(Cx!G4) - L9: Css-ChChCh(CxG5) - L10: Css-ChChCh(CxN) - L11: Css-ChChCh(CxsN) - L11: Css-ChChCh(CxdN) - L11: Css-ChChCh(Ct-N) - L11: Css-ChChCh(CxbN) - L10: Css-ChChCh(Cx!N) - L9: Css-ChChCh(Cx!G4G5) - L10: Css-ChChCh(CxG6) - L11: Css-ChChCh(CxO) - L12: Css-ChChCh(CxsO) - L12: Css-ChChCh(CxdO) - L13: Css-ChChCh(Cds-ORch) - L14: Css-ChsChsChs(Cds-ORch) - L14: Others-Css-ChChCh(Cds-ORch) - L13: Css-ChChCh(Cds-CO) - L12: Css-ChChCh(CxbO) - L11: Css-ChChCh(Cx!O) - L10: Css-ChChCh(Cx!G4G5G6) - L7: Css-ChChCh(Cx2+) - L6: Css-ChChCxCx - L6: Css-ChCxCxCx - L6: Css-CxCxCxCx - L5: Css-CCCH - L6: Css-ChChChH - L7: Css-ChsChsChsH - L7: Css-ChsChsChdH - L8: Css-ChsChs(Cds-ChRch)H - L9: Css-ChsChs(Cds-ChdRch)H - L9: Css-ChsChs(Cds-ChddRch)H - L8: Css-ChsChs(Cds-CxRch)H - L9: Css-ChsChs(Cds-(Cx1)Rch)H - L10: Css-ChsChs(Cds-(CxO)Rch)H - L11: Css-ChsChs(Cds-(CxdO)Rch)H - L11: Css-ChsChs(Cds-(CxddO)Rch)H - L12: Css-ChsChs(Cds-(Cdd-O)Rch)H - L10: Others-Css-ChsChs(Cds-(Cx1)Rch)H - L9: Css-ChsChs(Cds-(Cx2+)Rch)H - L7: Css-ChsChsChbH - L7: Css-ChsChsChtH - L7: Css-ChsChdChdH - L8: Css-(Chs)(Cds-ChRch)(Cds-ChRch)(H) - L9: Css-(Chs)(Cds-ChdRch)(Cds-ChdRch)(H) - L9: Css-(Chs)(Cds-ChddRch)(Cds-ChdRch)(H) - L9: Css-(Chs)(Cds-ChddRch)(Cds-ChddRch)(H) - L8: Css-(Chs)(Cds-CxRch)(Cds-ChRch)(H) - L9: Css-(Chs)(Cds-(Cx1)Rch)(Cds-ChRch)(H) - L10: Css-(Chs)(Cds-(CxG4)Rch)(Cds-ChRch)(H) - L10: Css-(Chs)(Cds-(Cx!G4)Rch)(Cds-ChRch)(H) - L11: Css-(Chs)(Cds-(CxG5)Rch)(Cds-ChRch)(H) - L11: Css-(Chs)(Cds-(Cx!G4G5)Rch)(Cds-ChRch)(H) - L12: Css-(Chs)(Cds-(CxG6)Rch)(Cds-ChRch)(H) - L13: Css-(Chs)(Cds-(CxO)Rch)(Cds-ChRch)(H) - L14: Css-(Chs)(Cds-(CxdO)Rch)(Cds-ChRch)(H) - L14: Css-(Chs)(Cds-(CxddO)Rch)(Cds-ChRch)(H) - L15: Css-(Chs)(Cds-(Cdd-O)Rch)(Cds-ChdRch)(H) - L15: Css-(Chs)(Cds-(Cdd-O)Rch)(Cds-ChddRch)(H) - L13: Css-(Chs)(Cds-(Cx!O)Rch)(Cds-ChRch)(H) - L12: Css-(Chs)(Cds-(Cx!G4G5G6)Rch)(Cds-ChRch)(H) - L9: Css-(Chs)(Cds-(Cx2+)Rch)(Cds-ChRch)(H) - L8: Css-(Chs)(Cds-CxRch)(Cds-CxRch)(H) - L9: Css-(Chs)(Cds-(Cx1)Rch)(Cds-(Cx1)Rch)(H) - L10: Css-(Chs)(Cds-(CxO)Rch)(Cds-(CxO)Rch)(H) - L11: Css-(Chs)(Cds-(CxdO)Rch)(Cds-(CxdO)Rch)(H) - L11: Css-(Chs)(Cds-(CxddO)Rch)(Cds-(CxdO)Rch)(H) - L11: Css-(Chs)(Cds-(CxddO)Rch)(Cds-(CxddO)Rch)(H) - L12: Css-(Chs)(Cds-(Cdd-O)Rch)(Cds-(Cdd-O)Rch)(H) - L10: Others-Css-(Chs)(Cds-(Cx1)Rch)(Cds-(Cx1)Rch)(H) - L9: Css-(Chs)(Cds-(Cx2+)Rch)(Cds-(Cx1)Rch)(H) - L9: Css-(Chs)(Cds-(Cx2+)Rch)(Cds-(Cx2+)Rch)(H) - L7: Css-ChsChdChbH - L8: Css-(Chs)(Cds-ChRch)(Cb-CC)(H) - L9: Css-(Chs)(Cds-ChdRch)(Cb-CC)(H) - L9: Css-(Chs)(Cds-ChddRch)(Cb-CC)(H) - L8: Css-(Chs)(Cds-CxRch)(Cb-CC)(H) - L7: Css-ChsChdChtH - L8: Css-(Chs)(Cds-ChRch)(Ct-C)(H) - L9: Css-(Chs)(Cds-ChdRch)(Ct-C)(H) - L9: Css-(Chs)(Cds-ChddRch)(Ct-C)(H) - L8: Css-(Chs)(Cds-CxRch)(Ct-C)(H) - L7: Css-ChsChbChbH - L7: Css-ChsChbChtH - L7: Css-ChsChtChtH - L7: Css-ChdChdChdH - L8: Css-(Cds-ChRch)(Cds-ChRch)(Cds-ChRch)(H) - L9: Css-(Cds-ChdRch)(Cds-ChdRch)(Cds-ChdRch)(H) - L9: Css-(Cds-ChddRch)(Cds-ChdRch)(Cds-ChdRch)(H) - L9: Css-(Cds-ChddRch)(Cds-ChddRch)(Cds-ChdRch)(H) - L9: Css-(Cds-ChddRch)(Cds-ChddRch)(Cds-ChddRch)(H) - L8: Css-(Cds-CxRch)(Cds-ChRch)(Cds-ChRch)(H) - L8: Css-(Cds-CxRch)(Cds-CxRch)(Cds-ChRch)(H) - L8: Css-(Cds-CxRch)(Cds-CxRch)(Cds-CxRch)(H) - L7: Css-ChdChdChbH - L8: Css-(Cds-ChRch)(Cds-ChRch)(Cb-CC)(H) - L9: Css-(Cds-ChdRch)(Cds-ChdRch)(Cb-CC)(H) - L9: Css-(Cds-ChddRch)(Cds-ChdRch)(Cb-CC)(H) - L9: Css-(Cds-ChddRch)(Cds-ChddRch)(Cb-CC)(H) - L8: Css-(Cds-CxRch)(Cds-ChRch)(Cb-CC)(H) - L8: Css-(Cds-CxRch)(Cds-CxRch)(Cb-CC)(H) - L7: Css-ChdChdChtH - L8: Css-(Cds-ChRch)(Cds-ChRch)(Ct-C)(H) - L9: Css-(Cds-ChdRch)(Cds-ChdRch)(Ct-C)(H) - L9: Css-(Cds-ChddRch)(Cds-ChdRch)(Ct-C)(H) - L9: Css-(Cds-ChddRch)(Cds-ChddRch)(Ct-C)(H) - L8: Css-(Cds-CxRch)(Cds-ChRch)(Ct-C)(H) - L8: Css-(Cds-CxRch)(Cds-CxRch)(Ct-C)(H) - L7: Css-ChdChbChbH - L7: Css-ChdChbChtH - L7: Css-ChdChtChtH - L8: Css-(Cds-ChRch)(Ct-C)(Ct-C)(H) - L9: Css-(Cds-ChdRch)(Ct-C)(Ct-C)(H) - L9: Css-(Cds-ChddRch)(Ct-C)(Ct-C)(H) - L8: Css-(Cds-CxRch)(Ct-C)(Ct-C)(H) - L7: Css-ChbChbChbH - L7: Css-ChbChbChtH - L7: Css-ChbChtChtH - L7: Css-ChtChtChtH - L6: Css-ChChCxH - L7: Css-ChCh(Cx1)H - L8: Css-ChCh(CxG4)H - L8: Css-ChCh(Cx!G4)H - L9: Css-ChCh(CxG5)H - L10: Css-ChCh(CxN)H - L11: Css-ChCh(CxsN)H - L11: Css-ChCh(CxdN)H - L11: Css-ChCh(Ct-N)H - L11: Css-ChCh(CxbN)H - L10: Css-ChCh(Cx!N)H - L9: Css-ChCh(Cx!G4G5)H - L10: Css-ChCh(CxG6)H - L11: Css-ChCh(CxO)H - L12: Css-ChCh(CxsO)H - L12: Css-ChCh(CxdO)H - L13: Css-ChCh(Cds-ORch)H - L14: Css-ChsChs(Cds-ORch)H - L14: Others-Css-ChCh(Cds-ORch)H - L13: Css-ChCh(Cds-CO)H - L12: Css-ChCh(CxbO)H - L11: Css-ChCh(Cx!O)H - L10: Css-ChCh(Cx!G4G5G6)H - L7: Css-ChCh(Cx2+)H - L6: Css-ChCxCxH - L6: Css-CxCxCxH - L5: Css-CCHH - L6: Css-ChChHH - L7: Css-ChsChsHH - L7: Css-ChsChdHH - L8: Css-(Chs)(Cds-ChRch)(H)(H) - L8: Css-(Chs)(Cds-CxRch)(H)(H) - L9: Css-(Chs)(Cds-(Cx1)Rch)(H)(H) - L10: Css-(Chs)(Cds-(CxO)Rch)(H)(H) - L11: Css-(Chs)(Cds-(CxdO)Rch)(H)(H) - L11: Css-(Chs)(Cds-(CxddO)Rch)(H)(H) - L12: Css-(Chs)(Cds-(Cdd-O)Rch)(H)(H) - L10: Others-Css-(Chs)(Cds-(Cx1)Rch)(H)(H) - L9: Css-(Chs)(Cds-(Cx2+)Rch)(H)(H) - L7: Css-ChsChbHH - L7: Css-ChsChtHH - L7: Css-ChdChdHH - L8: Css-(Cds-ChRch)(Cds-ChRch)(H)(H) - L9: Css-(Cds-ChdRch)(Cds-ChdRch)(H)(H) - L9: Css-(Cds-ChdRch)(Cds-ChddRch)(H)(H) - L9: Css-(Cds-ChddRch)(Cds-ChddRch)(H)(H) - L8: Css-(Cds-CxRch)(Cds-ChRch)(H)(H) - L8: Css-(Cds-CxRch)(Cds-CxRch)(H)(H) - L9: Css-(Cds-(Cx1)Rch)(Cds-(Cx1)Rch)(H)(H) - L10: Css-(Cds-(CxO)Rch)(Cds-(CxO)Rch)(H)(H) - L11: Css-(Cds-(CxdO)Rch)(Cds-(CxdO)Rch)(H)(H) - L11: Css-(Cds-(CxddO)Rch)(Cds-(CxdO)Rch)(H)(H) - L11: Css-(Cds-(CxddO)Rch)(Cds-(CxddO)Rch)(H)(H) - L12: Css-(Cds-(Cdd-O)Rch)(Cds-(Cdd-O)Rch)(H)(H) - L10: Others-Css-(Cds-(Cx1)Rch)(Cds-(Cx1)Rch)(H)(H) - L9: Css-(Cds-(Cx2+)Rch)(Cds-(Cx1)Rch)(H)(H) - L9: Css-(Cds-(Cx2+)Rch)(Cds-(Cx2+)Rch)(H)(H) - L7: Css-ChdChbHH - L8: Css-(Cds-ChRch)(Cb-CC)(H)(H) - L9: Css-(Cds-ChdRch)(Cb-CC)(H)(H) - L9: Css-(Cds-ChddRch)(Cb-CC)(H)(H) - L8: Css-(Cds-CxRch)(Cb-CC)(H)(H) - L7: Css-ChdChtHH - L8: Css-(Cds-ChRch)(Ct-C)(H)(H) - L9: Css-(Cds-ChdRch)(Ct-C)(H)(H) - L9: Css-(Cds-ChddRch)(Ct-C)(H)(H) - L8: Css-(Cds-CxRch)(Ct-C)(H)(H) - L9: Css-(Cds-(Cx1)Rch)(Ct-C)(H)(H) - L10: Css-(Cds-(CxO)Rch)(Ct-C)(H)(H) - L11: Css-(Cds-(CxdO)Rch)(Ct-C)(H)(H) - L11: Css-(Cds-(CxddO)Rch)(Ct-C)(H)(H) - L12: Css-(Cds-(Cdd-O)Rch)(Ct-C)(H)(H) - L10: Others-Css-(Cds-(Cx1)Rch)(Ct-C)(H)(H) - L9: Css-(Cds-(Cx2+)Rch)(Ct-C)(H)(H) - L7: Css-ChbChbHH - L7: Css-ChbChtHH - L7: Css-ChtChtHH - L6: Css-CxChHH - L7: Css-(Cx1)ChHH - L8: Css-(CxG4)ChHH - L8: Css-(Cx!G4)ChHH - L9: Css-(CxG5)ChHH - L10: Css-(CxN)ChHH - L11: Css-(CxsN)ChHH - L11: Css-(CxdN)ChHH - L11: Css-(Ct-N)ChHH - L11: Css-(CxbN)ChHH - L10: Css-(Cx!N)ChHH - L9: Css-(Cx!G4G5)ChHH - L10: Css-(CxG6)ChHH - L11: Css-(CxO)ChHH - L12: Css-(CxsO)ChHH - L12: Css-(CxdO)ChHH - L13: Css-(Cds-ORch)ChsHH - L13: Css-(Cds-ORch)ChdHH - L14: Css-(Cds-ORch)(Cds-ChRch)(H)(H) - L15: Css-(Cds-ORch)(Cds-ChdRch)(H)(H) - L15: Css-(Cds-ORch)(Cds-ChddRch)(H)(H) - L14: Css-(Cds-ORch)(Cds-CxRch)(H)(H) - L13: Css-(Cds-ORch)ChtHH - L13: Css-(Cds-ORch)ChbHH - L13: Css-(Cds-CO)ChsHH - L13: Css-(Cds-CO)ChdHH - L13: Css-(Cds-CO)ChtHH - L13: Css-(Cds-CO)ChbHH - L12: Css-(CxbO)ChHH - L11: Css-(Cx!O)ChHH - L10: Css-(Cx!G4G5G6)ChHH - L7: Css-(Cx2+)ChHH - L6: Css-CxCxHH - L7: Css-(Cx1)(Cx1)HH - L8: Css-(CxO)(CxO)HH - L9: Css-(CxdO)(CxdO)HH - L10: Css-(Cds-ORch)(Cds-ORch)(H)(H) - L10: Css-(Cds-CO)(Cds-ORch)(H)(H) - L10: Css-(Cds-CO)(Cds-CO)(H)(H) - L9: Others-Css-(CxO)(CxO)HH - L8: Others-Css-(Cx1)(Cx1)HH - L7: Css-(Cx2+)(Cx1)HH - L7: Css-(Cx2+)(Cx2+)HH - L5: Css-CHHH - L6: Css-ChHHH - L7: Css-ChsHHH - L7: Css-ChdHHH - L8: Css-(Cds-ChRch)(H)(H)(H) - L9: Css-(Cds-ChdRch)(H)(H)(H) - L9: Css-(Cds-ChddRch)(H)(H)(H) - L10: Css-(Cds-(Cdd-C)Rch)(H)(H)(H) - L8: Css-(Cds-CxRch)(H)(H)(H) - L9: Css-(Cds-(Cx1)Rch)(H)(H)(H) - L10: Css-(Cds-(CxG4)Rch)(H)(H)(H) - L10: Css-(Cds-(Cx!G4)Rch)(H)(H)(H) - L11: Css-(Cds-(CxG5)Rch)(H)(H)(H) - L11: Css-(Cds-(Cx!G4G5)Rch)(H)(H)(H) - L12: Css-(Cds-(CxG6)Rch)(H)(H)(H) - L13: Css-(Cds-(CxO)Rch)(H)(H)(H) - L14: Css-(Cds-(CxdO)Rch)(H)(H)(H) - L14: Css-(Cds-(CxddO)Rch)(H)(H)(H) - L15: Css-(Cds-(Cdd-O)Rch)(H)(H)(H) - L13: Css-(Cds-(Cx!O)Rch)(H)(H)(H) - L12: Css-(Cds-(Cx!G4G5G6)Rch)(H)(H)(H) - L9: Css-(Cds-(Cx2+)Rch)(H)(H)(H) - L7: Css-ChbHHH - L7: Css-ChtHHH - L6: Css-CxHHH - L7: Css-(Cx1)HHH - L8: Css-(CxG4)HHH - L8: Css-(Cx!G4)HHH - L9: Css-(CxG5)HHH - L10: Css-(CxN)HHH - L11: Css-(CxsN)HHH - L11: Css-(CxdN)HHH - L11: Css-(Ct-N)HHH - L11: Css-(CxbN)HHH - L10: Css-(Cx!N)HHH - L9: Css-(Cx!G4G5)HHH - L10: Css-(CxG6)HHH - L11: Css-(CxO)HHH - L12: Css-(CxsO)HHH - L13: Css-(Css-OCC)(H)(H)(H) - L14: Css-(Css-OhChCh)(H)(H)(H) - L15: Css-(Css-(O-C)ChCh)(H)(H)(H) - L15: Css-(Css-(O-H)ChCh)(H)(H)(H) - L15: Others-Css-(Css-OhChCh)(H)(H)(H) - L14: Css-(Css-OhChCx)(H)(H)(H) - L14: Css-(Css-OhCxCx)(H)(H)(H) - L14: Css-(Css-OxChCh)(H)(H)(H) - L15: Css-(Css-(Ox1)ChCh)(H)(H)(H) - L16: Css-(Css-(OxG4)ChCh)(H)(H)(H) - L16: Css-(Css-(Ox!G4)ChCh)(H)(H)(H) - L17: Css-(Css-(OxG5)ChCh)(H)(H)(H) - L17: Css-(Css-(Ox!G4G5)ChCh)(H)(H)(H) - L18: Css-(Css-(OxG6)ChCh)(H)(H)(H) - L18: Css-(Css-(Ox!G4G5G6)ChCh)(H)(H)(H) - L14: Css-(Css-OxChCx)(H)(H)(H) - L14: Css-(Css-OxCxCx)(H)(H)(H) - L13: Css-(Css-OCH)(H)(H)(H) - L13: Css-(Css-OHH)(H)(H)(H) - L12: Css-(CxdO)HHH - L13: Css-(Cds-OC)(H)(H)(H) - L14: Css-(Cds-OCh)(H)(H)(H) - L14: Css-(Cds-OCx)(H)(H)(H) - L13: Css-(Cds-OH)(H)(H)(H) - L13: Css-(Cds-CO)(H)(H)(H) - L14: Css-(Cds-ChOh)(H)(H)(H) - L14: Css-(Cds-ChOx)(H)(H)(H) - L14: Css-(Cds-CxOh)(H)(H)(H) - L14: Css-(Cds-CxOx)(H)(H)(H) - L12: Css-(CxbO)HHH - L11: Css-(Cx!O)HHH - L10: Css-(Cx!G4G5G6)HHH - L7: Css-(Cx2+)HHH - L5: Css-HHHH - L4: Chd - L5: Cds-CCC - L6: Cds-ChChCh - L7: Cds-ChdChsChs - L7: Cds-ChdChdChs - L8: Cds-(Cds-RchRch)(Cds-ChRch)(Chs) - L9: Cds-(Cds-RchRch)(Cds-ChdRch)(Chs) - L9: Cds-(Cds-RchRch)(Cds-ChddRch)(Chs) - L8: Cds-(Cds-RchRch)(Cds-CxRch)(Chs) - L7: Cds-ChdChtChs - L7: Cds-ChdChbChs - L7: Cds-ChdChdChd - L8: Cds-(Cds-RchRch)(Cds-ChRch)(Cds-ChRch) - L9: Cds-(Cds-RchRch)(Cds-ChdRch)(Cds-ChdRch) - L9: Cds-(Cds-RchRch)(Cds-ChdRch)(Cds-ChddRch) - L9: Cds-(Cds-RchRch)(Cds-ChddRch)(Cds-ChddRch) - L8: Cds-(Cds-RchRch)(Cds-ChRch)(Cds-CxRch) - L8: Cds-(Cds-RchRch)(Cds-CxRch)(Cds-CxRch) - L7: Cds-ChdChtChd - L8: Cds-(Cds-RchRch)(Ct-Ch)(Cds-ChRch) - L9: Cds-(Cds-RchRch)(Ct-Ch)(Cds-ChdRch) - L9: Cds-(Cds-RchRch)(Ct-Ch)(Cds-ChddRch) - L8: Cds-(Cds-RchRch)(Ct-Ch)(Cds-CxRch) - L8: Cds-(Cds-RchRch)(Ct-Cx)(Cds-ChRch) - L8: Cds-(Cds-RchRch)(Ct-Cx)(Cds-CxRch) - L7: Cds-ChdChbChd - L8: Cds-(Cds-RchRch)(Cb-CC)(Cds-ChRch) - L9: Cds-(Cds-RchRch)(Cb-CC)(Cds-ChdRch) - L9: Cds-(Cds-RchRch)(Cb-CC)(Cds-ChddRch) - L8: Cds-(Cds-RchRch)(Cb-CC)(Cds-CxRch) - L7: Cds-ChdChtCht - L7: Cds-ChdChbCht - L7: Cds-ChdChbChb - L7: Cds-ChddChsChs - L7: Cds-ChddChdChs - L7: Cds-ChddChtChs - L7: Cds-ChddChbChs - L7: Cds-ChddChdChd - L7: Cds-ChddChtChd - L7: Cds-ChddChbChd - L7: Cds-ChddChtCht - L7: Cds-ChddChbCht - L7: Cds-ChddChbChb - L6: Cds-ChCxCh - L7: Cds-Ch(Cx1)Ch - L8: Cds-Ch(CxG4)Ch - L8: Cds-Ch(Cx!G4)Ch - L9: Cds-Ch(CxG5)Ch - L10: Cds-Ch(CxN)Ch - L11: Cds-Ch(CxsN)Ch - L11: Cds-Ch(CxdN)Ch - L11: Cds-Ch(Ct-N)Ch - L11: Cds-Ch(CxbN)Ch - L10: Cds-Ch(Cx!N)Ch - L9: Cds-Ch(Cx!G4G5)Ch - L10: Cds-Ch(CxG6)Ch - L11: Cds-Ch(CxO)Ch - L12: Cds-Chd(CxdO)Ch - L13: Cds-(Cds-RchRch)(Cds-ORch)(Ch) - L14: Cds-(Cds-RchRch)(Cds-ORch)(Chs) - L14: Cds-(Cds-RchRch)(Cds-ORch)(Chd) - L15: Cds-(Cds-RchRch)(Cds-ORch)(Cds-ChRch) - L16: Cds-(Cds-RchRch)(Cds-ORch)(Cds-ChdRch) - L16: Cds-(Cds-RchRch)(Cds-ORch)(Cds-ChddRch) - L15: Cds-(Cds-RchRch)(Cds-ORch)(Cds-CxRch) - L14: Others-Cds-(Cds-RchRch)(Cds-ORch)(Ch) - L13: Cds-(Cds-RchRch)(Cds-CO)(Ch) - L12: Others-Cds-Ch(CxO)Ch - L11: Cds-Ch(Cx!O)Ch - L10: Cds-Ch(Cx!G4G5G6)Ch - L7: Cds-Ch(Cx2+)Ch - L6: Cds-ChCxCx - L6: Cds-CxChCh - L7: Cds-(Cx1)ChCh - L8: Cds-(CxG4)ChCh - L8: Cds-(Cx!G4)ChCh - L9: Cds-(CxG5)ChCh - L9: Cds-(Cx!G4G5)ChCh - L10: Cds-(CxG6)ChCh - L11: Cds-(CxO)ChCh - L12: Cds-(CxdO)ChCh - L12: Cds-(CxddO)ChCh - L13: Cds-(Cdd-O)(Chs)(Chs) - L13: Cds-(Cdd-O)(Chd)(Chs) - L14: Cds-(Cdd-O)(Cds-ChRch)(Chs) - L14: Cds-(Cdd-O)(Cds-CxRch)(Chs) - L15: Cds-(Cdd-O)(Cds-(CxdO)Rch)(Chs) - L15: Cds-(Cdd-O)(Cds-(CxddO)Rch)(Chs) - L16: Cds-(Cdd-O)(Cds-(Cdd-O)Rch)(Chs) - L16: Others-Cds-(Cdd-O)(Cds-CxddRch)(Chs) - L15: Others-Cds-(Cdd-O)(Cds-CxRch)(Chs) - L13: Others-Cds-(CxddO)ChCh - L11: Cds-(Cx!O)ChCh - L10: Cds-(Cx!G4G5G6)ChCh - L7: Cds-(Cx2+)ChCh - L6: Cds-CxCxCh - L6: Cds-CxCxCx - L5: Cds-CCH - L6: Cds-ChChH - L7: Cds-ChdChsH - L7: Cds-ChdChdH - L8: Cds-(Cds-RchRch)(Cds-ChRch)(H) - L9: Cds-(Cds-RchRch)(Cds-ChdRch)(H) - L9: Cds-(Cds-RchRch)(Cds-ChddRch)(H) - L8: Cds-(Cds-RchRch)(Cds-CxRch)(H) - L7: Cds-ChdChtH - L7: Cds-ChdChbH - L7: Cds-ChddChsH - L7: Cds-ChddChdH - L7: Cds-ChddChtH - L7: Cds-ChddChbH - L6: Cds-ChCxH - L7: Cds-Ch(Cx1)H - L8: Cds-Ch(CxG4)H - L8: Cds-Ch(Cx!G4)H - L9: Cds-Ch(CxG5)H - L10: Cds-Ch(CxN)H - L11: Cds-Ch(CxsN)H - L11: Cds-Ch(CxdN)H - L11: Cds-Ch(Ct-N)H - L11: Cds-Ch(CxbN)H - L10: Cds-Ch(Cx!N)H - L9: Cds-Ch(Cx!G4G5)H - L10: Cds-Ch(CxG6)H - L11: Cds-Ch(CxO)H - L12: Cds-Chd(CxsO)H - L12: Cds-Chd(CxdO)H - L13: Cds-(Cds-RchRch)(Cds-ORch)(H) - L13: Cds-(Cds-RchRch)(Cds-CO)(H) - L12: Cds-Chd(CxbO)H - L12: Cds-Chdd(CxsO)H - L12: Cds-Chdd(CxdO)H - L13: Cds-(Cdd-C)(Cds-ORch)(H) - L13: Cds-(Cdd-C)(Cds-CO)(H) - L12: Cds-Chdd(CxbO)H - L11: Cds-Ch(Cx!O)H - L10: Cds-Ch(Cx!G4G5G6)H - L7: Cds-Ch(Cx2+)H - L6: Cds-CxChH - L7: Cds-(Cx1)ChH - L8: Cds-(CxG4)ChH - L8: Cds-(Cx!G4)ChH - L9: Cds-(CxG5)ChH - L9: Cds-(Cx!G4G5)ChH - L10: Cds-(CxG6)ChH - L11: Cds-(CxO)ChH - L12: Cds-(CxdO)ChsH - L12: Cds-(CxdO)ChdH - L12: Cds-(CxdO)ChtH - L12: Cds-(CxdO)ChbH - L12: Cds-(Cdd-O)ChsH - L12: Cds-(Cdd-O)ChdH - L13: Cds-(Cdd-O)(Cds-ChRch)(H) - L14: Cds-(Cdd-O)(Cds-ChdRch)(H) - L14: Cds-(Cdd-O)(Cds-ChddRch)(H) - L13: Cds-(Cdd-O)(Cds-CxRch)(H) - L14: Cds-(Cdd-O)(Cds-CxddORch)(H) - L15: Cds-(Cdd-O)(Cds-(Cdd-O)Rch)(H) - L14: Others-Cds-(Cdd-O)(Cds-CxRch)(H) - L12: Cds-(Cdd-O)ChtH - L12: Cds-(Cdd-O)ChbH - L11: Cds-(Cx!O)ChH - L10: Cds-(Cx!G4G5G6)ChH - L7: Cds-(Cx2+)ChH - L6: Cds-CxCxH - L7: Cds-(Cx1)(Cx1)H - L8: Cds-(CxO)(CxO)H - L9: Cds-(CxddO)(CxdO)H - L10: Cds-(Cdd-O)(Cds-ORch)(H) - L10: Cds-(Cdd-O)(Cds-CO)(H) - L9: Others-Cds-(CxO)(CxO)H - L8: Others-Cds-(Cx1)(Cx1)H - L7: Cds-(Cx1)(Cx2+)H - L7: Cds-(Cx2+)(Cx1)H - L7: Cds-(Cx2+)(Cx2+)H - L5: Cds-CHH - L6: Cds-ChHH - L7: Cds-ChdHH - L7: Cds-ChddHH - L6: Cds-CxHH - L7: Cds-(Cx1)HH - L8: Cds-(CxG4)HH - L8: Cds-(Cx!G4)HH - L9: Cds-(CxG5)HH - L9: Cds-(Cx!G4G5)HH - L10: Cds-(CxG6)HH - L11: Cds-(CxO)HH - L12: Cds-(CxdO)HH - L12: Cds-(CxddO)HH - L13: Cds-(Cdd-O)HH - L11: Cds-(Cx!O)HH - L10: Cds-(Cx!G4G5G6)HH - L7: Cds-(Cx2+)HH - L4: Chdd - L5: Cdd-CC - L6: Cdd-ChCh - L7: Cdd-ChdChd - L7: Cdd-ChdChdd - L7: Cdd-ChddChdd - L6: Cdd-ChCx - L6: Cdd-CxCx - L4: Cht - L5: Ct-CC - L6: Ct-ChCh - L7: Ct-ChtChs - L7: Ct-ChtChd - L8: Ct-(Ct-Rch)(Cds-CRch) - L9: Ct-(Ct-Rch)(Cds-ChRch) - L10: Ct-(Ct-Rch)(Cds-ChdRch) - L10: Ct-(Ct-Rch)(Cds-ChddRch) - L9: Ct-(Ct-Rch)(Cds-CxRch) - L8: Ct-(Ct-Rch)(Cds-CxRch) - L7: Ct-ChtCht - L7: Ct-ChtChb - L6: Ct-ChCx - L7: Ct-Ch(Cx1) - L8: Ct-Ch(CxG4) - L8: Ct-Ch(Cx!G4) - L9: Ct-Ch(CxG5) - L10: Ct-Ch(CxN) - L11: Ct-Ch(CxsN) - L11: Ct-Ch(CxdN) - L11: Ct-Ch(Ct-N) - L11: Ct-Ch(CxbN) - L10: Ct-Ch(Cx!N) - L9: Ct-Ch(Cx!G4G5) - L7: Ct-Ch(Cx2+) - L6: Ct-CxCh - L6: Ct-CxCx - L5: Ct-CH - L6: Ct-ChtH - L6: Ct-CxH - L4: Chb - L5: Cb-CCC - L6: Cb-ChChCh - L7: Cb-ChbChbChs - L7: Cb-ChbChbfChs - L7: Cb-ChbfChbfChs - L7: Cb-ChbChbChd - L8: Cb-(Cb-CRch)(Cb-CRch)(Cd-CRch) - L9: Cb-(Cb-ChRch)(Cb-ChRch)(Cd-ChRch) - L10: Cb-(Cb-ChbRch)(Cb-ChbRch)(Cd-ChdRch) - L10: Cb-(Cb-ChbRch)(Cb-ChbfRch)(Cd-ChdRch) - L10: Cb-(Cb-ChbfRch)(Cb-ChbfRch)(Cd-ChdRch) - L10: Cb-(Cb-ChbRch)(Cb-ChbRch)(Cd-ChddRch) - L10: Cb-(Cb-ChbRch)(Cb-ChbfRch)(Cd-ChddRch) - L10: Cb-(Cb-ChbfRch)(Cb-ChbfRch)(Cd-ChddRch) - L9: Cb-(Cb-ChRch)(Cb-CxRch)(Cd-ChRch) - L9: Cb-(Cb-CxRch)(Cb-CxRch)(Cd-ChRch) - L9: Cb-(Cb-ChRch)(Cb-ChRch)(Cd-CxRch) - L9: Cb-(Cb-ChRch)(Cb-CxRch)(Cd-CxRch) - L9: Cb-(Cb-CxRch)(Cb-CxRch)(Cd-CxRch) - L7: Cb-ChbChbfChd - L7: Cb-ChbfChbfChd - L7: Cb-ChbChbCht - L7: Cb-ChbChbfCht - L7: Cb-ChbfChbfCht - L7: Cb-ChbChbChb - L7: Cb-ChbChbfChb - L7: Cb-ChbfChbfChb - L6: Cb-CxChCh - L6: Cb-ChChCx - L7: Cb-ChCh(Cx1) - L8: Cb-ChCh(CxG4) - L8: Cb-ChCh(Cx!G4) - L9: Cb-ChCh(CxG5) - L10: Cb-ChCh(CxN) - L11: Cb-ChCh(CxsN) - L11: Cb-ChCh(CxdN) - L11: Cb-ChCh(Ct-N) - L11: Cb-ChCh(CxbN) - L10: Cb-ChCh(Cx!N) - L9: Cb-ChCh(Cx!G4G5) - L10: Cb-ChCh(CxG6) - L11: Cb-ChCh(CxO) - L12: Cb-ChbChb(CxsO) - L12: Cb-ChbChb(CxdO) - L13: Cb-(Cb-CRch)(Cb-CRch)(Cd-CO) - L13: Cb-(Cb-CRch)(Cb-CRch)(Cd-ORch) - L12: Others-Cb-ChCh(CxO) - L11: Cb-ChCh(Cx!O) - L10: Cb-ChCh(Cx!G4G5G6) - L7: Cb-ChCh(Cx2+) - L6: Cb-CxCxCh - L6: Cb-CxChCx - L6: Cb-CxCxCx - L5: Cb-CCH - L6: Cb-ChChH - L6: Cb-CxChH - L6: Cb-CxCxH - L4: Chbf - L5: Cbf-CCC - L6: Cbf-ChChCh - L7: Cbf-ChbChbChb - L7: Cbf-ChbChbChbf - L7: Cbf-ChbChbfChbf - L7: Cbf-ChbfChbfChbf - L6: Cbf-ChChCx - L6: Cbf-ChCxCx - L6: Cbf-CxCxCx - L3: Cx - L4: Cx1 - L5: CxG4 - L6: CxSi - L6: Cx!Si - L5: Cx!G4 - L6: CxG5 - L7: CxN - L8: CxsN - L9: Css-NRchRchRch - L10: Css-N3hRchRchRch - L10: Css-N3hCCC - L10: Css-N3hCCH - L10: Css-N3hCHH - L10: Css-N3hHHH - L10: Css-N3xRchRchRch - L11: Css-(N3x1)RchRchRch - L12: Css-(N3xO)RchRchRch - L13: Css-(N3xsO)RchRchRch - L13: Css-(N3d-O)RchRchRch - L14: Css-(N3d-O)CCC - L14: Css-(N3d-O)CCH - L14: Css-(N3d-O)CHH - L14: Css-(N3d-O)HHH - L12: Css-(N3xN)RchRchRch - L13: Css-(N3xsN)RchRchRch - L13: Css-(N3d-N)RchRchRch - L14: Css-(N3d-N)CCC - L14: Css-(N3d-N)CCH - L14: Css-(N3d-N)CHH - L14: Css-(N3d-N)HHH - L12: Others-Css-(N3x1)RchRchRch - L11: Css-(N3x2)RchRchRch - L10: Css-N5hRchRchRch - L10: Css-N5xRchRchRch - L11: Css-(N5x1)RchRchRch - L11: Css-(N5x2)RchRchRch - L12: Css-(N5x2OO)RchRchRch - L13: Css-(N5x2dOO)RchRchRch - L13: Css-(N5dd-OO)RchRchRch - L14: Css-(N5dd-OO)CCC - L14: Css-(N5dd-OO)CCH - L14: Css-(N5dd-OO)CHH - L14: Css-(N5dd-OO)HHH - L12: Others-Css-(N5x2)RchRchRch - L11: Css-(N5x3)RchRchRch - L8: CxdN - L9: Cds-NRchRch - L10: Cds-NCC - L10: Cds-NCH - L10: Cds-NHH - L9: Cds-CNRch - L10: Cds-CN3hRch - L10: Cds-CN3hC - L10: Cds-CN3hH - L10: Cds-CN3xRch - L11: Cds-C(N3x1)Rch - L12: Cds-C(N3xO)Rch - L13: Cds-C(N3xsO)Rch - L13: Cds-C(N3d-O)Rch - L14: Cds-C(N3d-O)C - L14: Cds-C(N3d-O)H - L12: Cds-C(N3xN)Rch - L13: Cds-C(N3xsN)Rch - L13: Cds-C(N3d-N)Rch - L14: Cds-C(N3d-N)C - L14: Cds-C(N3d-N)H - L12: Others-Cds-C(N3x1)Rch - L11: Cds-C(N3x2)Rch - L10: Cds-CN5hRch - L10: Cds-CN5xRch - L11: Cds-C(N5x1)Rch - L11: Cds-C(N5x2)Rch - L12: Cds-C(N5x2OO)Rch - L13: Cds-C(N5x2dOO)Rch - L13: Cds-C(N5dd-OO)Rch - L14: Cds-C(N5dd-OO)C - L14: Cds-C(N5dd-OO)H - L12: Others-Cds-C(N5x2)Rch - L11: Cds-C(N5x3)Rch - L8: CxddN - L9: Cdd-NC - L8: CxtN - L9: Ct-NRch - L10: Ct-NC - L10: Ct-NH - L9: Ct-CN - L10: Ct-CN3h - L10: Ct-CN3x - L11: Ct-C(N3x1) - L12: Ct-C(N3xO) - L13: Ct-C(N3xsO) - L13: Ct-C(N3d-O) - L12: Ct-C(N3xN) - L13: Ct-C(N3xsN) - L13: Ct-C(N3d-N) - L12: Others-Ct-C(N3x1) - L11: Ct-C(N3x2) - L10: Ct-CN5h - L10: Ct-CN5x - L11: Ct-C(N5x1) - L11: Ct-C(N5x2) - L12: Ct-C(N5x2OO) - L13: Ct-C(N5x2dOO) - L13: Ct-C(N5dd-OO) - L12: Others-Ct-C(N5x2) - L11: Ct-C(N5x3) - L8: CxbN - L9: Cb-NCRch - L9: Cb-CCN - L10: Cb-CCN3h - L10: Cb-CCN3x - L11: Cb-CC(N3x1) - L12: Cb-CC(N3xO) - L13: Cb-CC(N3xsO) - L13: Cb-CC(N3d-O) - L12: Cb-CC(N3xN) - L13: Cb-CC(N3xsN) - L13: Cb-CC(N3d-N) - L12: Others-Cb-CC(N3x1) - L11: Cb-CC(N3x2) - L10: Cb-CCN5h - L10: Cb-CCN5x - L11: Cb-CC(N5x1) - L11: Cb-CC(N5x2) - L12: Cb-CC(N5x2OO) - L13: Cb-CC(N5x2dOO) - L13: Cb-CC(N5dd-OO) - L12: Others-Cb-CC(N5x2) - L11: Cb-CC(N5x3) - L7: Cx!N - L8: CxP - L8: Cx!NP - L6: Cx!G4G5 - L7: CxG6 - L8: CxO - L9: CxsO - L10: Css-OCCC - L11: Css-OhChChCh - L12: Css-OhChsChsChs - L12: Css-OhChsChsChd - L13: Css-OhChsChs(Cds-ChRch) - L14: Css-OhChsChs(Cds-ChdRch) - L14: Css-OhChsChs(Cds-ChddRch) - L15: Css-OhChsChs(Cds-(Cdd-Ch)Rch) - L15: Css-OhChsChs(Cds-(Cdd-Cx)Rch) - L13: Css-OhChsChs(Cds-CxRch) - L14: Css-OhChsChs(Cds-(Cx1)Rch) - L15: Css-OhChsChs(Cds-(CxO)Rch) - L16: Css-OhChsChs(Cds-(CxdO)Rch) - L16: Css-OhChsChs(Cds-(CxddO)Rch) - L17: Css-OhChsChs(Cds-(Cdd-O)Rch) - L15: Others-Css-OhChsChs(Cds-(Cx1)Rch) - L14: Css-OhChsChs(Cds-(Cx2+)Rch) - L12: Css-OhChsChsCht - L12: Css-OhChsChsChb - L12: Css-OhChsChdChd - L13: Css-OhChs(Cds-ChRch)(Cds-ChRch) - L14: Css-OhChs(Cds-ChdRch)(Cds-ChdRch) - L14: Css-OhChs(Cds-ChddRch)(Cds-ChdRch) - L14: Css-OhChs(Cds-ChddRch)(Cds-ChddRch) - L13: Css-OhChs(Cds-CxRch)(Cds-ChRch) - L13: Css-OhChs(Cds-CxRch)(Cds-CxRch) - L12: Css-OhChsChdCht - L12: Css-OhChsChdChb - L12: Css-OhChsChtCht - L12: Css-OhChsChtChb - L12: Css-OhChsChbChb - L12: Css-OhChdChdChd - L12: Css-OhChdChdCht - L12: Css-OhChdChdChb - L12: Css-OhChdChtCht - L12: Css-OhChdChtChb - L12: Css-OhChdChbChb - L12: Css-OhChtChtCht - L12: Css-OhChtChtChb - L12: Css-OhChtChbChb - L12: Css-OhChbChbChb - L11: Css-OhCxChCh - L12: Css-Oh(Cx1)ChCh - L13: Css-Oh(CxG4)ChCh - L13: Css-Oh(Cx!G4)ChCh - L14: Css-Oh(CxG5)ChCh - L14: Css-Oh(Cx!G4G5)ChCh - L15: Css-Oh(CxG6)ChCh - L16: Css-Oh(CxO)ChCh - L17: Css-Oh(CxsO)ChCh - L17: Css-Oh(CxdO)ChCh - L18: Css-Oh(Cds-ORch)ChCh - L19: Css-Oh(Cds-ORch)ChsChs - L19: Others-Css-Oh(Cds-ORch)ChCh - L18: Css-Oh(Cds-CO)ChCh - L17: Css-Oh(CxbO)ChCh - L16: Css-Oh(Cx!O)ChCh - L15: Css-Oh(Cx!G4G5G6)ChCh - L12: Css-Oh(Cx2+)ChCh - L11: Css-OhCxCxCh - L11: Css-OhCxCxCx - L11: Css-OxChChCh - L11: Css-OxCxChCh - L11: Css-OxCxCxCh - L11: Css-OxCxCxCx - L10: Css-OCCH - L11: Css-OhChChH - L12: Css-OhChsChsH - L12: Css-OhChsChdH - L13: Css-OhChs(Cds-ChRch)H - L14: Css-OhChs(Cds-ChdRch)H - L14: Css-OhChs(Cds-ChddRch)H - L13: Css-OhChs(Cds-CxRch)H - L14: Css-OhChs(Cds-(Cx1)Rch)H - L15: Css-OhChs(Cds-(CxO)Rch)H - L16: Css-OhChs(Cds-(CxdO)Rch)H - L16: Css-OhChs(Cds-(Cdd-O)Rch)H - L15: Others-Css-OhChs(Cds-(Cx1)Rch)H - L14: Css-OhChs(Cds-(Cx2+)Rch)H - L12: Css-OhChsChtH - L12: Css-OhChsChbH - L12: Css-OhChdChdH - L13: Css-Oh(Cds-ChRch)(Cds-ChRch)H - L14: Css-Oh(Cds-ChdRch)(Cds-ChdRch)H - L14: Css-Oh(Cds-ChddRch)(Cds-ChdRch)H - L14: Css-Oh(Cds-ChddRch)(Cds-ChddRch)H - L13: Css-Oh(Cds-CxRch)(Cds-ChRch)H - L14: Css-Oh(Cds-(Cx1)Rch)(Cds-ChRch)H - L15: Css-Oh(Cds-(CxO)Rch)(Cds-ChRch)H - L16: Css-Oh(Cds-(CxdO)Rch)(Cds-ChRch)H - L16: Css-Oh(Cds-(Cdd-O)Rch)(Cds-ChRch)H - L15: Others-Css-Oh(Cds-(Cx1)Rch)(Cds-ChRch)H - L14: Css-Oh(Cds-(Cx2+)Rch)(Cds-ChRch)H - L13: Css-Oh(Cds-CxRch)(Cds-CxRch)H - L12: Css-OhChdChtH - L12: Css-OhChdChbH - L12: Css-OhChtChtH - L12: Css-OhChtChbH - L12: Css-OhChbChbH - L11: Css-OhCxChH - L12: Css-Oh(Cx1)ChH - L13: Css-Oh(CxG4)ChH - L13: Css-Oh(Cx!G4)ChH - L14: Css-Oh(CxG5)ChH - L14: Css-Oh(Cx!G4G5)ChH - L15: Css-Oh(CxG6)ChH - L16: Css-Oh(CxO)ChH - L17: Css-Oh(CxsO)ChH - L17: Css-Oh(CxdO)ChH - L18: Css-Oh(Cds-ORch)ChH - L19: Css-Oh(Cds-ORch)ChsH - L19: Css-Oh(Cds-ORch)ChdH - L19: Css-Oh(Cds-ORch)ChtH - L19: Css-Oh(Cds-ORch)ChbH - L18: Css-Oh(Cds-CO)ChH - L17: Css-Oh(CxbO)ChH - L16: Css-Oh(Cx!O)ChH - L15: Css-Oh(Cx!G4G5G6)ChH - L12: Css-Oh(Cx2+)ChH - L11: Css-OhCxCxH - L11: Css-OxChChH - L11: Css-OxCxChH - L11: Css-OxCxCxH - L10: Css-OCHH - L11: Css-OhChHH - L12: Css-OhChsHH - L12: Css-OhChdHH - L13: Css-Oh(Cds-ChRch)HH - L14: Css-Oh(Cds-ChdRch)HH - L14: Css-Oh(Cds-ChddRch)HH - L13: Css-Oh(Cds-CxRch)HH - L14: Css-Oh(Cds-(Cx1)Rch)HH - L15: Css-Oh(Cds-(CxO)Rch)HH - L16: Css-Oh(Cds-(CxdO)Rch)HH - L16: Css-Oh(Cds-(Cdd-O)Rch)HH - L15: Others-Css-Oh(Cds-(Cx1)Rch)HH - L14: Css-Oh(Cds-(Cx2+)Rch)HH - L12: Css-OhChtHH - L12: Css-OhChbHH - L11: Css-OhCxHH - L12: Css-Oh(Cx1)HH - L13: Css-Oh(CxG4)HH - L13: Css-Oh(Cx!G4)HH - L14: Css-Oh(CxG5)HH - L14: Css-Oh(Cx!G4G5)HH - L15: Css-Oh(CxG6)HH - L16: Css-Oh(CxO)HH - L17: Css-Oh(CxsO)HH - L17: Css-Oh(CxdO)HH - L18: Css-Oh(Cds-ORch)HH - L18: Css-Oh(Cds-CO)HH - L17: Css-Oh(CxbO)HH - L16: Css-Oh(Cx!O)HH - L15: Css-Oh(Cx!G4G5G6)HH - L12: Css-Oh(Cx2+)HH - L11: Css-OxChHH - L12: Css-(Ox1)ChHH - L13: Css-(OxG4)ChHH - L13: Css-(Ox!G4)ChHH - L14: Css-(OxG5)ChHH - L15: Css-(OxN)ChHH - L16: Css-(OxN3)ChHH - L17: Css-(OxN3)ChsHH - L17: Css-(OxN3)ChdHH - L17: Css-(OxN3)ChtHH - L17: Css-(OxN3)ChbHH - L16: Css-(OxN5)ChHH - L17: Css-(OxN5)ChsHH - L18: Css-(O-N5)(Css-CCC)(H)(H) - L18: Css-(O-N5)(Css-CCH)(H)(H) - L18: Css-(O-N5)(Css-CHH)(H)(H) - L18: Css-(O-N5)(Css-HHH)(H)(H) - L19: Css-(O-(N5x1))(Css-HHH)(H)(H) - L19: Css-(O-(N5x2+))(Css-HHH)(H)(H) - L20: Css-(O-(N5x2))(Css-HHH)(H)(H) - L20: Css-(O-(N5x3))(Css-HHH)(H)(H) - L21: Css-(O-(N5x3OOO))(Css-HHH)(H)(H) - L22: Css-(O-N5x3dOOO)(Css-HHH)(H)(H) - L22: Css-(O-N5x3ddOOO)(Css-HHH)(H)(H) - L23: Css-(O-(N5dd-OO))(Css-HHH)(H)(H) - L21: Others-Css-(O-(N5x3))(Css-HHH)(H)(H) - L20: Css-(O-(N5x4))(Css-HHH)(H)(H) - L17: Css-(OxN5)ChdHH - L17: Css-(OxN5)ChtHH - L17: Css-(OxN5)ChbHH - L15: Css-(Ox!N)ChHH - L14: Css-(Ox!G4G5)ChHH - L15: Css-(OxG6)ChHH - L15: Css-(Ox!G4G5G6)ChHH - L11: Css-OxCxHH - L10: Css-OHHH - L9: CxdO - L10: Cds-OCC - L11: Cds-OChCh - L12: Cds-OChsChs - L12: Cds-OChsChd - L13: Cds-(O)(Chs)(Cds-ChRch) - L14: Cds-(O)(Chs)(Cds-ChdRch) - L14: Cds-(O)(Chs)(Cds-ChddRch) - L13: Cds-(O)(Chs)(Cds-CxRch) - L12: Cds-OChsCht - L12: Cds-OChsChb - L12: Cds-OChdChd - L13: Cds-(O)(Cds-ChRch)(Cds-ChRch) - L14: Cds-(O)(Cds-ChdRch)(Cds-ChdRch) - L14: Cds-(O)(Cds-ChdRch)(Cds-ChddRch) - L14: Cds-(O)(Cds-ChddRch)(Cds-ChddRch) - L13: Cds-(O)(Cds-ChRch)(Cds-CxRch) - L13: Cds-(O)(Cds-CxRch)(Cds-CxRch) - L12: Cds-OChdCht - L12: Cds-OChdChb - L12: Cds-OChtCht - L12: Cds-OChtChb - L12: Cds-OChbChb - L11: Cds-OChCx - L12: Cds-OCh(Cx1) - L13: Cds-OCh(CxG4) - L13: Cds-OCh(Cx!G4) - L14: Cds-OCh(CxG5) - L14: Cds-OCh(Cx!G4G5) - L15: Cds-OCh(CxG6) - L16: Cds-OCh(CxO) - L17: Cds-OChs(CxsO) - L17: Cds-OChs(CxdO) - L18: Cds-(O)(Chs)(Cds-ORch) - L18: Cds-(O)(Chs)(Cds-CO) - L17: Cds-OChs(CxbO) - L17: Cds-OChd(CxsO) - L17: Cds-OChd(CxdO) - L18: Cds-(O)(Cds-CRch)(Cds-ORch) - L19: Cds-(O)(Cds-ChRch)(Cds-ORch) - L20: Cds-(O)(Cds-ChdRch)(Cds-ORch) - L20: Cds-(O)(Cds-ChddRch)(Cds-ORch) - L19: Cds-(O)(Cds-CxRch)(Cds-ORch) - L18: Cds-(O)(Cds-CRch)(Cds-CO) - L17: Cds-OChd(CxbO) - L17: Cds-OCht(CxsO) - L17: Cds-OCht(CxdO) - L17: Cds-OCht(CxbO) - L17: Cds-OChb(CxsO) - L17: Cds-OChb(CxdO) - L17: Cds-OChb(CxbO) - L16: Cds-OCh(Cx!O) - L15: Cds-OCh(Cx!G4G5G6) - L12: Cds-OCh(Cx2+) - L11: Cds-OCxCx - L12: Cds-O(Cx1)(Cx1) - L13: Cds-O(CxO)(CxO) - L14: Cds-O(CxsO)(CxsO) - L14: Cds-O(CxsO)(CxdO) - L14: Cds-O(CxsO)(CxbO) - L14: Cds-O(CxdO)(CxdO) - L15: Cds-(O)(Cds-ORch)(Cds-ORch) - L15: Cds-(O)(Cds-ORch)(Cds-CO) - L15: Cds-(O)(Cds-CO)(Cds-CO) - L14: Cds-O(CxdO)(CxbO) - L14: Cds-O(CxbO)(CxbO) - L13: Others-Cds-O(Cx1)(Cx1) - L12: Cds-O(Cx1)(Cx2+) - L12: Cds-O(Cx2+)(Cx2+) - L10: Cds-OCH - L11: Cds-OChH - L12: Cds-OChsH - L12: Cds-OChdH - L13: Cds-(O)(Cds-ChRch)(H) - L14: Cds-(O)(Cds-ChdRch)(H) - L14: Cds-(O)(Cds-ChddRch)(H) - L13: Cds-(O)(Cds-CxRch)(H) - L12: Cds-OChtH - L12: Cds-OChbH - L11: Cds-OCxH - L12: Cds-O(Cx1)H - L13: Cds-O(CxG4)H - L13: Cds-O(Cx!G4)H - L14: Cds-O(CxG5)H - L14: Cds-O(Cx!G4G5)H - L15: Cds-O(CxG6)H - L16: Cds-O(CxO)H - L17: Cds-O(CxsO)H - L17: Cds-O(CxdO)H - L18: Cds-(O)(Cds-ORch)(H) - L19: Cds-(O)(Cds-OC)(H) - L19: Cds-(O)(Cds-OH)(H) - L18: Cds-(O)(Cds-CO)(H) - L17: Cds-O(CxbO)H - L16: Cds-O(Cx!O)H - L15: Cds-O(Cx!G4G5G6)H - L12: Cds-O(Cx2+)H - L10: Cds-OHH - L10: Cds-CCO - L11: Cds-ChChOh - L12: Cds-ChdChsOh - L12: Cds-ChdChdOh - L13: Cds-(Cds-RchRch)(Cds-ChRch)(Oh) - L14: Cds-(Cds-RchRch)(Cds-ChdRch)(Oh) - L14: Cds-(Cds-RchRch)(Cds-ChddRch)(Oh) - L13: Cds-(Cds-RchRch)(Cds-CxRch)(Oh) - L12: Cds-ChdChtOh - L12: Cds-ChdChbOh - L12: Cds-ChddChsOh - L12: Cds-ChddChdOh - L12: Cds-ChddChtOh - L12: Cds-ChddChbOh - L11: Cds-ChChOx - L11: Cds-ChCxOh - L12: Cds-Ch(Cx1)Oh - L13: Cds-Ch(CxG4)Oh - L13: Cds-Ch(Cx!G4)Oh - L14: Cds-Ch(CxG5)Oh - L14: Cds-Ch(Cx!G4G5)Oh - L15: Cds-Ch(CxG6)Oh - L16: Cds-Ch(CxO)Oh - L17: Cds-Chd(CxsO)Oh - L17: Cds-Chd(CxdO)Oh - L18: Cds-(Cds-RchRch)(Cds-ORch)(Oh) - L18: Cds-(Cds-RchRch)(Cds-CO)(Oh) - L17: Cds-Chd(CxbO)Oh - L17: Cds-Chdd(CxsO)Oh - L17: Cds-Chdd(CxdO)Oh - L17: Cds-Chdd(CxbO)Oh - L16: Cds-Ch(Cx!O)Oh - L15: Cds-Ch(Cx!G4G5G6)Oh - L12: Cds-Ch(Cx2+)Oh - L11: Cds-ChCxOx - L11: Cds-CxChOh - L12: Cds-(Cx1)ChOh - L13: Cds-(CxG4)ChOh - L13: Cds-(Cx!G4)ChOh - L14: Cds-(CxG5)ChOh - L14: Cds-(Cx!G4G5)ChOh - L15: Cds-(CxG6)ChOh - L16: Cds-(CxO)ChOh - L17: Cds-(CxdO)ChsOh - L17: Cds-(CxdO)ChdOh - L17: Cds-(CxdO)ChtOh - L17: Cds-(CxdO)ChbOh - L17: Cds-(CxddO)ChsOh - L17: Cds-(CxddO)ChdOh - L18: Cds-(Cdd-O)(Cds-ChRch)(Oh) - L19: Cds-(Cdd-O)(Cds-ChdRch)(Oh) - L19: Cds-(Cdd-O)(Cds-ChddRch)(Oh) - L18: Cds-(Cdd-O)(Cds-CxRch)(Oh) - L19: Cds-(Cdd-O)(Cds-(Cdd-O)Rch)(Oh) - L19: Others-Cds-(Cdd-O)(Cds-CxRch)(Oh) - L17: Cds-(CxddO)ChtOh - L17: Cds-(CxddO)ChbOh - L16: Cds-(Cx!O)ChOh - L15: Cds-(Cx!G4G5G6)ChOh - L12: Cds-(Cx2+)ChOh - L11: Cds-CxChOx - L11: Cds-CxCxOh - L11: Cds-CxCxOx - L10: Cds-COH - L11: Cds-ChOhH - L12: Cds-ChdOhH - L12: Cds-ChddOhH - L11: Cds-ChOxH - L11: Cds-CxOhH - L12: Cds-(Cx1)OhH - L13: Cds-(CxG4)OhH - L13: Cds-(Cx!G4)OhH - L14: Cds-(CxG5)OhH - L14: Cds-(Cx!G4G5)OhH - L15: Cds-(CxG6)OhH - L16: Cds-(CxO)OhH - L17: Cds-(CxdO)OhH - L17: Cds-(CxddO)OhH - L18: Cds-(Cdd-O)(Oh)(H) - L16: Cds-(Cx!O)OhH - L15: Cds-(Cx!G4G5G6)OhH - L12: Cds-(Cx2+)OhH - L11: Cds-CxOxH - L9: CxddO - L10: Cdd-CO - L11: Cdd-ChOh - L12: Cdd-ChdOh - L12: Cdd-ChddOh - L11: Cdd-CxOh - L9: CxtO - L10: Ct-CO - L11: Ct-ChOh - L11: Ct-ChOx - L11: Ct-CxOh - L11: Ct-CxOx - L9: CxbO - L10: Cb-CCO - L11: Cb-ChChOh - L12: Cb-ChbChbOhs - L12: Cb-ChbChbfOhs - L12: Cb-ChbfChbfOhs - L11: Cb-ChCxOh - L11: Cb-CxCxOh - L11: Cb-ChChOx - L11: Cb-ChCxOx - L11: Cb-CxCxOx - L10: Cb-OCC - L10: Cb-OCH - L8: Cx!O - L9: CxS - L9: Cx!OS - L7: Cx!G4G5G6 - L8: CxG7 - L9: CxF - L10: CxsF - L11: Css-FCCC - L11: Css-FCCH - L11: Css-FCHH - L11: Css-FHHH - L10: CxdF - L11: Cds-CFC - L11: Cds-CFH - L10: CxtF - L11: Ct-CF - L10: CxbF - L11: Cb-CCF - L9: Cx!F - L10: CxCl - L11: CxsCl - L12: Css-ClCCC - L12: Css-ClCCH - L12: Css-ClCHH - L12: Css-ClHHH - L11: CxdCl - L12: Cds-CClC - L12: Cds-CClH - L11: CxtCl - L12: Ct-CCl - L11: CxbCl - L12: Cb-CCCl - L10: Cx!FCl - L11: CxBr - L12: CxsBr - L13: Css-BrCCC - L13: Css-BrCCH - L13: Css-BrCHH - L13: Css-BrHHH - L12: CxdBr - L13: Cds-CBrC - L13: Cds-CBrH - L12: CxtBr - L13: Ct-CBr - L12: CxbBr - L13: Cb-CCBr - L11: Cx!FClBr - L12: CxI - L13: CxsI - L14: Css-ICCC - L14: Css-ICCH - L14: Css-ICHH - L14: Css-IHHH - L13: CxdI - L14: Cds-CIC - L14: Cds-CIH - L13: CxtI - L14: Ct-CI - L13: CxbI - L14: Cb-CCI - L12: Cx!FClBrI - L8: Cx!G4G5G6G7 - L4: Cx2+ - L5: Cx2 - L6: Cx2OO - L7: Cx2sOO - L8: Css-OOCC - L9: Css-OhOhChCh - L10: Css-OhOhChsChs - L10: Css-OhOhChsChd - L10: Css-OhOhChsCht - L10: Css-OhOhChsChb - L10: Css-OhOhChdChd - L10: Css-OhOhChdCht - L10: Css-OhOhChdChb - L10: Css-OhOhChtCht - L10: Css-OhOhChtChb - L10: Css-OhOhChbChb - L9: Css-OhOhCxCh - L9: Css-OhOhCxCx - L9: Css-OxOhChCh - L9: Css-OxOhCxCh - L9: Css-OxOhCxCx - L9: Css-OxOxChCh - L9: Css-OxOxCxCh - L9: Css-OxOxCxCx - L8: Css-OOCH - L9: Css-OhOhChH - L10: Css-OhOhChsH - L10: Css-OhOhChdH - L10: Css-OhOhChtH - L10: Css-OhOhChbH - L9: Css-OhOhCxH - L9: Css-OxOhChH - L9: Css-OxOhCxH - L9: Css-OxOxChH - L9: Css-OxOxCxH - L8: Css-OOHH - L7: Cx2dOO - L8: Cds-OOC - L9: Cds-OOhCh - L10: Cds-OOhChs - L10: Cds-OOhChd - L11: Cds-(O)(O-Rch)(Cds-ChRch) - L12: Cds-(O)(O-Rch)(Cds-ChdRch) - L12: Cds-(O)(O-Rch)(Cds-ChddRch) - L11: Cds-(O)(O-Rch)(Cds-CxRch) - L10: Cds-OOhCht - L10: Cds-OOhChb - L9: Cds-OOhCx - L10: Cds-OOh(Cx1) - L11: Cds-OOh(CxG4) - L11: Cds-OOh(Cx!G4) - L12: Cds-OOh(CxG5) - L12: Cds-OOh(Cx!G4G5) - L13: Cds-OOh(CxG6) - L14: Cds-OOh(CxO) - L15: Cds-OOh(CxsO) - L15: Cds-OOh(CxdO) - L16: Cds-(O)(O-Rch)(Cds-ORch) - L16: Cds-(O)(O-Rch)(Cds-CO) - L15: Cds-OOh(CxbO) - L14: Cds-OOh(Cx!O) - L13: Cds-OOh(Cx!G4G5G6) - L10: Cds-OOh(Cx2+) - L9: Cds-OOxCh - L9: Cds-OOxCx - L8: Cds-OOH - L8: Cds-COO - L9: Cds-ChOhOh - L10: Cds-ChdOhOh - L10: Cds-ChddOhOh - L9: Cds-ChOhOx - L9: Cds-ChOxOx - L9: Cds-CxOhOh - L10: Cds-(Cx1)OhOh - L11: Cds-(CxG4)OhOh - L11: Cds-(Cx!G4)OhOh - L12: Cds-(CxG5)OhOh - L12: Cds-(Cx!G4G5)OhOh - L13: Cds-(CxG6)OhOh - L14: Cds-(CxO)OhOh - L15: Cds-(CxdO)OhOh - L15: Cds-(CxddO)OhOh - L16: Cds-(Cdd-O)(Oh)(Oh) - L14: Cds-(Cx!O)OhOh - L13: Cds-(Cx!G4G5G6)OhOh - L10: Cds-(Cx2+)OhOh - L9: Cds-CxOhOx - L9: Cds-CxOxOx - L7: Cx2ddOO - L8: Cdd-OO - L7: Cx2bOO - L6: Cx2NO - L7: Cx2sNO - L7: Cx2dNO - L8: Cds-ONRch - L9: Cds-ONC - L9: Cds-ONH - L8: Cds-NORch - L8: Cds-CNO - L7: Cx2ddNO - L7: Cx2tNO - L7: Cx2bNO - L7: Cx2bfNO - L6: Cx2FF - L7: Cx2sFF - L8: Css-FFCC - L8: Css-FFCH - L8: Css-FFHH - L7: Cx2dFF - L8: Cds-CFF - L6: Cx2ClCl - L7: Cx2sClCl - L8: Css-ClClCC - L8: Css-ClClCH - L8: Css-ClClHH - L7: Cx2dClCl - L8: Cds-CClCl - L6: Cx2BrBr - L7: Cx2sBrBr - L8: Css-BrBrCC - L8: Css-BrBrCH - L8: Css-BrBrHH - L7: Cx2dBrBr - L8: Cds-CBrBr - L6: Cx2OCl - L7: Cx2sOCl - L8: Css-OClCC - L8: Css-OClCH - L8: Css-OClHH - L7: Cx2dOCl - L8: Cds-OClRch - L8: Cds-COCl - L7: Cx2bOCl - L8: Cb-COCl - L6: Cx2FCl - L7: Cx2sFCl - L7: Cx2dFCl - L8: Cds-CFCl - L6: Cx2FBr - L7: Cx2sFBr - L7: Cx2dFBr - L8: Cds-CFBr - L6: Cx2ClBr - L7: Cx2sClBr - L7: Cx2dClBr - L8: Cds-CClBr - L6: Others-Cx2 - L5: Cx3 - L6: Cx3OOO - L7: Cx3sOOO - L8: Css-OOOC - L9: Css-OhOhOhCh - L10: Css-OhOhOhChs - L10: Css-OhOhOhChd - L10: Css-OhOhOhCht - L10: Css-OhOhOhChb - L9: Css-OxOhOhCh - L9: Css-OxOxOhCh - L9: Css-OxOxOxCh - L9: Css-OhOhOhCx - L9: Css-OxOhOhCx - L9: Css-OxOxOhCx - L9: Css-OxOxOxCx - L8: Css-OOOH - L7: Cx3dOOO - L8: Cds-OOhOh - L8: Cds-OOhOx - L8: Cds-OOxOx - L6: Cx3FFF - L7: Css-FFFC - L7: Css-FFFH - L6: Cx3ClClCl - L7: Css-ClClClC - L7: Css-ClClClH - L6: Cx3BrBrBr - L7: Css-BrBrBrC - L7: Css-BrBrBrH - L6: Cx3FFCl - L7: Css-FFClC - L7: Css-FFClH - L6: Others-Cx3 - L5: Cx4 - L6: Cx4OOOO - L7: Css-OhOhOhOh - L7: Css-OxOhOhOh - L7: Css-OxOxOhOh - L7: Css-OxOxOxOh - L7: Css-OxOxOxOx - L6: Others-Cx4 - L2: Si - L3: Sih - L4: Sihs - L4: Sihd - L4: Sihdd - L4: Siht - L3: Six - L4: Six1 - L4: Six2+ - L1: G5 - L2: N3 - L3: N3h - L4: N3hs - L5: N3s-CCC - L5: N3s-CCH - L5: N3s-CHH - L6: N3s-(Cx1)HH - L6: N3s-(Cx2+)HH - L7: N3s-(Cx2)HH - L8: N3s-(Cx2NO)HH - L9: N3s-(Cx2sNO)HH - L9: N3s-(Cx2dNO)HH - L10: N3s-(Cds-ORch)(H)(H) - L10: N3s-(Cds-CO)(H)(H) - L9: N3s-(Cx2bNO)HH - L8: Others-N3s-(Cx2)HH - L7: N3s-(Cx3)HH - L7: N3s-(Cx4)HH - L5: N3s-HHH - L4: N3hd - L4: N3ht - L3: N3x - L4: N3x1 - L5: N3xG4 - L5: N3x!G4 - L6: N3xG5 - L7: N3xN - L8: N3xN3 - L9: N3xsN3 - L10: N3s-NCC - L10: N3s-NCH - L10: N3s-NHH - L9: N3xdN3 - L10: N3d-NC - L10: N3d-NH - L10: N3d-CN - L9: N3xtN3 - L10: N3t-N3 - L8: N3xN5 - L7: N3x!N - L6: N3x!G4G5 - L4: N3x2 - L4: N3x3 - L2: N5 - L3: N5h - L4: N5hd - L4: N5hdd - L4: N5htd - L3: N5x - L4: N5x1 - L4: N5x2+ - L5: N5x2 - L5: N5x3 - L5: N5x4 - L2: P - L3: Ph - L4: Phs - L4: Phds - L4: Phdd - L4: Phts - L4: Phtd - L3: Px - L1: G6 - L2: O - L3: Oh - L4: Ohs - L5: Oss-CC - L6: Oss-(Cx1)(Cx1) - L7: Oss-(CxO)(CxO) - L8: Oss-(CxsO)(CxsO) - L8: Oss-(CxsO)(CxdO) - L9: Oss-(CxsO)(Cds-ChRch) - L9: Oss-(CxsO)(Cds-CxRch) - L8: Oss-(CxsO)(CxtO) - L8: Oss-(CxsO)(CxbO) - L8: Oss-(CxdO)(CxdO) - L9: Oss-(Cds-ChRch)(Cds-ChRch) - L9: Oss-(Cds-CxRch)(Cds-ChRch) - L9: Oss-(Cds-CxRch)(Cds-CxRch) - L8: Oss-(CxdO)(CxtO) - L8: Oss-(CxdO)(CxbO) - L8: Oss-(CxtO)(CxtO) - L8: Oss-(CxtO)(CxbO) - L8: Oss-(CxbO)(CxbO) - L7: Others-Oss-(Cx1)(Cx1) - L6: Oss-(Cx2+)(Cx1) - L7: Oss-(Cx2OO)(Cx1) - L8: Oss-(Cx2sOO)(Cx1) - L8: Oss-(Cx2dOO)(Cx1) - L9: Oss-(Cds-ORch)(Cx1) - L10: Oss-(Cds-ORch)(CxO) - L11: Oss-(Cds-ORch)(CxsO) - L11: Oss-(Cds-ORch)(CxdO) - L11: Oss-(Cds-ORch)(CxtO) - L11: Oss-(Cds-ORch)(CxbO) - L10: Others-Oss-(Cds-ORch)(Cx1) - L9: Oss-(Cds-CO)(Cx1) - L8: Oss-(Cx2bOO)(Cx1) - L7: Others-Oss-(Cx2+)(Cx1) - L6: Oss-(Cx2+)(Cx2+) - L7: Oss-(Cx2OO)(Cx2OO) - L8: Oss-(Cx2dOO)(Cx2dOO) - L9: Oss-(Cds-ORch)(Cds-ORch) - L9: Oss-(Cds-ORch)(Cds-CO) - L9: Oss-(Cds-CO)(Cds-CO) - L8: Others-Oss-(Cx2OO)(Cx2OO) - L7: Others-Oss-(Cx2+)(Cx2+) - L5: Oss-CH - L6: Oss-(Cx1)H - L7: Oss-(CxO)H - L8: Oss-(CxsO)H - L8: Oss-(CxdO)H - L9: Oss-(Cds-ChRch)H - L9: Oss-(Cds-CxRch)H - L8: Oss-(CxtO)H - L8: Oss-(CxbO)H - L7: Others-Oss-(Cx1)H - L6: Oss-(Cx2+)H - L7: Oss-(Cx2OO)H - L8: Oss-(Cx2sOO)H - L8: Oss-(Cx2dOO)H - L9: Oss-(Cds-ORch)H - L9: Oss-(Cds-CO)H - L8: Oss-(Cx2bOO)H - L7: Others-Oss-(Cx2+)H - L5: Oss-HH - L4: Ohd - L5: Od-C - L6: Od-(Cx1) - L7: Od-(CxO) - L8: Od-(Cds-RchRch) - L8: Od-(Cdd-C) - L7: Others-Od-(Cx1) - L6: Od-(Cx2+) - L4: Ohb - L3: Ox - L4: Ox1 - L5: OxO - L6: OxsO - L7: Oss-OC - L8: Oss-(OxO)(CxO) - L9: Oss-(Oss-Rch)(CxsO) - L9: Oss-(Oss-Rch)(CxdO) - L10: Oss-(Oss-Rch)(Cds-ChRch) - L10: Oss-(Oss-Rch)(Cds-CxRch) - L9: Oss-(Oss-Rch)(CxtO) - L9: Oss-(Oss-Rch)(CxbO) - L8: Oss-(OxO)(Cx2+) - L9: Oss-(Oss-Rch)(Cx2) - L10: Oss-(Oss-Rch)(Cx2OO) - L11: Oss-(Oss-Rch)(Cx2sOO) - L11: Oss-(Oss-Rch)(Cx2dOO) - L12: Oss-(Oss-Rch)(Cds-ORch) - L12: Oss-(Oss-Rch)(Cds-CO) - L11: Oss-(Oss-Rch)(Cx2bOO) - L10: Others-Oss-(Oss-Rch)(Cx2) - L9: Oss-(Oss-Rch)(Cx3) - L9: Oss-(Oss-Rch)(Cx4) - L8: Oss-(Ox2)(CxO) - L8: Oss-(Ox2)(Cx2+) - L7: Oss-OH - L6: Od-O - L5: Others-Ox1 - L4: Ox2 - L5: Oss-OO - L5: Others-Ox2 - L2: S2 - L3: S2h - L4: S2hs - L4: S2hd - L3: S2x - L2: S6 - L3: S6h - L4: S6hs - L4: S6hds - L4: S6hdd - L3: S6x - L1: G7 - L2: F - L3: Fh - L4: F-C - L5: F-Cx1 - L5: F-Cx2+ - L4: F-H - L3: Fx - L2: Cl - L3: Clh - L4: Cl-C - L5: Cl-Cx1 - L5: Cl-Cx2+ - L4: Cl-H - L3: Clx - L2: Br - L2: I \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/Other_Dictionary.txt b/output/RMG_database_sulfur/thermo_groups/Other_Dictionary.txt deleted file mode 100644 index 19f8579ef9..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Other_Dictionary.txt +++ /dev/null @@ -1,172 +0,0 @@ -////////////////////////////////////////////////////////////////////////////////////// -// Other Corrections -// Joanna Yu -// Oct. 29 -// -// Jing Song: get rid of the dots following the index -// -////////////////////////////////////////////////////////////////////////////////////// - -// Notation: -// Dcis is a double bons with cis conformations -// R!H means any atom, except H - -R -Union {cis, 2-ene_cis, 2-butene_cis, t-butyl_cis_2-ene, higher-ene_cis, t-butyl_cis_t-butyl, t-butyl_cis, double_cis, ortho, ketene, ketene_1C-C_1C-H, ketene_2C-H, ketene_2C-C, biketene} - -cis -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 R!H 0 {1,S} -4 H 0 {1,S} -5 R!H 0 {2,S} -6 H 0 {2,S} - -2-ene_cis -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 R!H 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -2-butene_cis -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 C 0 {2,S} {10,S} {11,S} {12,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} -10 H 0 {5,S} -11 H 0 {5,S} -12 H 0 {5,S} - -t-butyl_cis_2-ene -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 C 0 {2,S} {10,S} {11,S} {12,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} -10 R!H 0 {5,S} -11 R!H 0 {5,S} -12 R!H 0 {5,S} - -higher-ene_cis -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 C 0 {2,S} {10,S} {11,S} {12,S} -6 H 0 {2,S} -7 R!H 0 {3,S} -8 R 0 {3,S} -9 R 0 {3,S} -10 R!H 0 {5,S} -11 R 0 {5,S} -12 R 0 {5,S} - -t-butyl_cis_t-butyl -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 C 0 {2,S} {10,S} {11,S} {12,S} -6 H 0 {2,S} -7 R!H 0 {3,S} -8 R!H 0 {3,S} -9 R!H 0 {3,S} -10 R!H 0 {5,S} -11 R!H 0 {5,S} -12 R!H 0 {5,S} - -t-butyl_cis -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 C 0 {2,S} {10,S} {11,S} {12,S} -6 H 0 {2,S} -7 R!H 0 {3,S} -8 R!H 0 {3,S} -9 R!H 0 {3,S} -10 R!H 0 {5,S} -11 R 0 {5,S} -12 R 0 {5,S} - -double_cis -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 R!H 0 {1,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 R!H 0 {2,S} - -ortho -1 * C 0 {2,B} {3,B} {4,S} -2 * C 0 {1,B} {5,B} {6,S} -3 C 0 {1,B} -4 R!H 0 {1,S} -5 C 0 {2,B} -6 R!H 0 {2,S} - -ketene -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 R 0 {1,S} -4 R 0 {1,S} -5 O 0 {2,D} - -ketene_1C-C_1C-H -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 {Cs,Cd} 0 {1,S} {6,S} -4 C 0 {1,S} {7,S} {8,S} {9,S} -5 O 0 {2,D} -6 C 0 {3,S} -7 H 0 {4,S} -8 H 0 {4,S} -9 H 0 {4,S} - -ketene_2C-H -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {1,S} {9,S} {10,S} {11,S} -5 O 0 {2,D} -6 H 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {4,S} -10 H 0 {4,S} -11 H 0 {4,S} - -ketene_2C-C -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 {Cs,Cd} 0 {1,S} {6,S} -4 {Cs,Cd} 0 {1,S} {7,S} -5 O 0 {2,D} -6 C 0 {3,S} -7 C 0 {4,S} - -biketene -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 * C 0 {1,S} {6,D} -3 * C 0 {1,S} {7,D} -4 R!H 0 {1,S} -5 R!H 0 {1,S} -6 C 0 {2,D} {8,D} -7 C 0 {3,D} {9,D} -8 O 0 {6,D} -9 O 0 {7,D} - diff --git a/output/RMG_database_sulfur/thermo_groups/Other_Library.txt b/output/RMG_database_sulfur/thermo_groups/Other_Library.txt deleted file mode 100644 index 05a72bcfe0..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Other_Library.txt +++ /dev/null @@ -1,32 +0,0 @@ -////////////////////////////////////////////////////////////////////////////////////// -// Other Corrections -// Joanna Yu -// Oct. 29 -// -// Jing Song: get rid of the dots following the index -// -////////////////////////////////////////////////////////////////////////////////////// - -// Notation: -// Dcis is a double bons with cis conformations -// R!H means any atom, except H - -// ALL *MUST* HAVE A NOTE AT THE END, AND 9 NUMBERS IF ANY ARE PROVIDED. -// H kcal/mol, others in cal/molK. -// Group H S Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 Note - -0 R 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 "dummy root" -1 cis 1.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 0 0 0 "Cis double bond interaction BENSON" -2 2-ene_cis 1.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 0 0 0 -3 2-butene_cis 1.00 1.2 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 0 0 0 "The entropy correction for 2-cis-butene is not zero BENSON" -4 t-butyl_cis_2-ene 4.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 0 0 0 "Cis double bond interaction involving tertiary butyl group BENSON" -5 higher-ene_cis 1.00 -0.6 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 0 0 0 "The entropy correction for 2-cis-butene is not zero BENSON" -6 t-butyl_cis_t-butyl 10.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 0 0 0 "Cis double bond interaction invloving two tertiary butyl groups BENSON" -7 t-butyl_cis 4.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 0 0 0 "Cis double bond interaction involving tertiary butyl group BENSON" -8 double_cis 3.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 0 0 0 "2 Cis interactions around a double bond BENSON" -9 ortho 0.57 -1.61 1.12 1.35 1.30 1.17 0.88 0.66 -0.05 0 0 0 "Ortho correction from BENSON" -10 ketene 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 "All the corrections from this family are from Sumathi & Green, J. Phys. Chem. A, 2002, 106, 7937-7949" -11 ketene_1C-C_1C-H -0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 "This is correction NN1 from Sumathi & Green, J. Phys. Chem. A, 2002, 106, 7937-7949" -12 ketene_2C-H 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 "This is correction NN0 from Sumathi & Green, J. Phys. Chem. A, 2002, 106, 7937-7949" -13 ketene_2C-C -1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 "This is correction NN2 from Sumathi & Green, J. Phys. Chem. A, 2002, 106, 7937-7949" -14 biketene -0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 0 0 "This is correction NN3 from Sumathi & Green, J. Phys. Chem. A, 2002, 106, 7937-7949" \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/Other_Tree.txt b/output/RMG_database_sulfur/thermo_groups/Other_Tree.txt deleted file mode 100644 index 07e9ded1c2..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Other_Tree.txt +++ /dev/null @@ -1,27 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// Other Corrections Tree -// -// Joanna Yu -// Dec 12 -// -///////////////////////////////////////////////////////////////////// - -L0: R - -L1: cis - L2: 2-ene_cis - L3: 2-butene_cis - L3: t-butyl_cis_2-ene - L2: higher-ene_cis - L3: t-butyl_cis - L4: t-butyl_cis_t-butyl - -L1: double_cis - -L1: ortho - -L1: ketene - L2: ketene_1C-C_1C-H - L2: ketene_2C-H - L2: ketene_2C-C - L2: biketene \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/QMcorrections/CVS/Entries b/output/RMG_database_sulfur/thermo_groups/QMcorrections/CVS/Entries deleted file mode 100644 index ec0f8fd358..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/QMcorrections/CVS/Entries +++ /dev/null @@ -1,2 +0,0 @@ -/Dictionary.txt/1.1/Sat Jul 25 17:56:29 2009// -/Library.txt/1.1/Sat Jul 25 17:56:29 2009// diff --git a/output/RMG_database_sulfur/thermo_groups/QMcorrections/CVS/Repository b/output/RMG_database_sulfur/thermo_groups/QMcorrections/CVS/Repository deleted file mode 100644 index aefb14d63b..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/QMcorrections/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/thermo/QMcorrections diff --git a/output/RMG_database_sulfur/thermo_groups/QMcorrections/CVS/Root b/output/RMG_database_sulfur/thermo_groups/QMcorrections/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/QMcorrections/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/thermo_groups/QMcorrections/Dictionary.txt b/output/RMG_database_sulfur/thermo_groups/QMcorrections/Dictionary.txt deleted file mode 100644 index 0b81d93560..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/QMcorrections/Dictionary.txt +++ /dev/null @@ -1,7 +0,0 @@ -O2 -1 O 0 {2,D} -2 O 0 {1,D} - -OH -1 O 1 {2,S} -2 H 0 {1,S} \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/QMcorrections/Library.txt b/output/RMG_database_sulfur/thermo_groups/QMcorrections/Library.txt deleted file mode 100644 index 713cfcd2f3..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/QMcorrections/Library.txt +++ /dev/null @@ -1,2 +0,0 @@ -O2 -0.0010244 49.0236 7.0233 7.1986 7.4285 7.6673 8.0656 8.3363 8.7407 0.0 0.0 0.0 "gmagoon 072009: molecular oxygen (triplet) thermo data taken from GRI-Mech species s00010295 (RMG was considering at a singlet, which produced incorrect thermochemistry results when using quantum chemistry)" -OH 9.4021 43.9063 7.1402 7.0675 7.0458 7.0581 7.1493 7.3353 7.8741 0.0 0.0 0.0 "gmagoon 072509: OH thermo data taken from GRI-Mech species s00010102 (RMG would be off by factor of R*ln2 for entropy due to electronic degeneracy of 4 rather than 2 (due to spatial degeneracy in addition to spin degeneracy))" \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/Radical_Dictionary.txt b/output/RMG_database_sulfur/thermo_groups/Radical_Dictionary.txt deleted file mode 100644 index 2932c9a0f9..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Radical_Dictionary.txt +++ /dev/null @@ -1,1129 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// HBI Dictionary -// Joanna Yu -// May 07, 2004 -// -// August 12, 2003: Differentiation between triplet and singlet bira- -// dicals. A triplet is explicitly identified as -// having 2t free electrons, and a singlet as having -// 2s free electrons. -///////////////////////////////////////////////////////////////////// - -Radical -Union {RJ, RJ2, RJ3} - -RJ -1 * R 1 - -CJ -1 * C 1 - -CsJ -1 * Cs 1 - -CH3 -1 * C 1 {2,S} {3,S} {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs_P -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsCsJ -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - - -CCJ -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} - -RCCJ -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} - - -Isobutyl -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} -6 C 0 {2,S} -7 H 0 {2,S} - -Neopentyl -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} -6 C 0 {2,S} -7 C 0 {2,S} - -CJCOOH -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,S} {6,S} -6 Os 0 {5,S} - -Benzyl_P -1 * C 1 {2,S} {3,S} {4,S} -2 Cb 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Allyl_P -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C=CC=CCJ -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} {6,S} -6 Cd 0 {5,S} - -CTCC=CCJ -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} {5,D} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} {6,S} -6 Ct 0 {5,S} - -C2JC=O -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} {5,D} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,D} -6 C 0 {2,S} - -Propargyl -1 * C 1 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs_S -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 H 0 {1,S} - -(Cs)2CsJ -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CCJC -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 C 0 {1,S} {8,S} {9,S} {10,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 H 0 {3,S} -9 H 0 {3,S} -10 H 0 {3,S} - -RCCJC -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 C 0 {1,S} {8,S} {9,S} {10,S} -4 H 0 {1,S} -5 C 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 H 0 {3,S} -9 H 0 {3,S} -10 H 0 {3,S} - -RCCJCC -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 C 0 {1,S} {8,S} {9,S} {10,S} -4 H 0 {1,S} -5 C 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 C 0 {3,S} -9 H 0 {3,S} -10 H 0 {3,S} - -CCJCOOH -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} {5,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} - -Benzyl_S -1 * C 1 {2,S} {3,S} {4,S} -2 Cb 0 {1,S} -3 C 0 {1,S} -4 H 0 {1,S} - -Allyl_S -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CCJCHO -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} {5,D} {6,S} -3 Cs 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,D} -6 H 0 {2,S} - -C=CCJC=C -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -Sec_Propargyl -1 * C 1 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cs_T -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} - -Tertalkyl -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C2CJCOOH -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} {5,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 O 0 {2,S} {6,S} -6 O 0 {5,S} - -Benzyl_T -1 * C 1 {2,S} {3,S} {4,S} -2 Cb 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} - -Allyl_T -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -C2CJCHO -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} {5,D} {6,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} -5 O 0 {2,D} -6 H 0 {2,S} - - -Tert_Propargyl -1 * C 1 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CsJO -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJOH -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} - -CsJOC -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} - -CsJOCs -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} - -CsJOCH3 -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} {6,S} {7,S} {8,S} -6 H 0 {5,S} -7 H 0 {5,S} -8 H 0 {5,S} - -CsJOCC -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} {6,S} {7,S} {8,S} -6 C 0 {5,S} -7 H 0 {5,S} -8 H 0 {5,S} - -CsJOCC2 -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} {6,S} {7,S} {8,S} -6 C 0 {5,S} -7 C 0 {5,S} -8 H 0 {5,S} - -CsJOCC3 -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} {6,S} {7,S} {8,S} -6 C 0 {5,S} -7 C 0 {5,S} -8 C 0 {5,S} - -CsJOCds -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 {Cd,CO} 0 {2,S} - -CsJOC(O) -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} {6,D} -6 O 0 {5,D} - -CsJOC(O)H -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} {6,D} {7,S} -6 O 0 {5,D} -7 H 0 {5,S} - -CsJOC(O)C -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} {6,D} {7,S} -6 O 0 {5,D} -7 C 0 {5,S} - -CsJOO -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,S} - -CsJOOH -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,S} {6,S} -6 H 0 {5,S} - -CsJOOC -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,S} {6,S} -6 C 0 {5,S} - - -CCsJO -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} -3 C 0 {1,S} -4 H 0 {1,S} - -CCsJOH -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} - -CCsJOC -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} - -CCsJOCs -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 Cs 0 {2,S} - -CCsJOCds -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 {CO,Cd} 0 {2,S} - -CCsJOC(O) -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} {6,D} -6 O 0 {5,D} - -CCsJOC(O)H -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} {6,D} {7,S} -6 O 0 {5,D} -7 H 0 {5,S} - -CCsJOC(O)C -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} {6,D} {7,S} -6 O 0 {5,D} -7 C 0 {5,S} - -CCsJOO -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,S} - -CCsJOOH -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,S} {6,S} -6 H 0 {5,S} - -CCsJOOC -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 O 0 {2,S} {6,S} -6 C 0 {5,S} - -C2CsJO -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} - -C2CsJOH -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 H 0 {2,S} - -C2CsJOC -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {2,S} - -C2CsJOCs -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 Cs 0 {2,S} - -C2CsJOCds -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 {Cd,CO} 0 {2,S} - -C2CsJOC(O) -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {2,S} {6,D} -6 O 0 {5,D} - -C2CsJOC(O)H -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {2,S} {6,D} {7,S} -6 O 0 {5,D} -7 H 0 {5,S} - -C2CsJOC(O)C -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {2,S} {6,D} {7,S} -6 O 0 {5,D} -7 C 0 {5,S} - -C2CsJOO -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 O 0 {2,S} - -C2CsJOOH -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 O 0 {2,S} {6,S} -6 H 0 {5,S} - -C2CsJOOC -1 * C 1 {2,S} {3,S} {4,S} -2 O 0 {1,S} {5,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 O 0 {2,S} {6,S} -6 C 0 {5,S} - -CdsJ -1 * {Cd,CO} 1 - -Cds_P -1 * C 1 {2,D} {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -Vin -1 * Cd 1 {2,D} {3,S} -2 Cd 0 {1,D} -3 H 0 {1,S} - -C=C=CJ -1 * C 1 {2,D} {3,S} -2 C 0 {1,D} {4,D} -3 H 0 {1,S} -4 C 0 {2,D} - -Cds_S -1 * C 1 {2,D} {3,S} -2 C 0 {1,D} -3 C 0 {1,S} - -Vins -1 * C 1 {2,D} {3,S} -2 C 0 {1,D} -3 C 0 {1,S} - - -C=CJC=C -1 * C 1 {2,D} {3,S} -2 Cd 0 {1,D} -3 {Cd,CO} 0 {1,S} - -CdsJO -1 * C 1 {2,D} -2 O 0 {1,D} - -HCdsJO -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 H 0 {1,S} - -CCJ=O -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 C 0 {1,S} - -CsCJ=O -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 Cs 0 {1,S} - -C=CCJ=O -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 Cd 0 {1,S} {4,D} -4 Cd 0 {3,D} - - -(O)CJO -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} - -(O)CJOH -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 H 0 {3,S} - -(O)CJOC -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 C 0 {3,S} - -(O)CJOCH3 -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 C 0 {3,S} {5,S} {6,S} {7,S} -5 H 0 {4,S} -6 H 0 {4,S} -7 H 0 {4,S} - -(O)CJOCC -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 C 0 {3,S} {5,S} {6,S} {7,S} -5 C 0 {4,S} -6 H 0 {4,S} -7 H 0 {4,S} - -(O)CJOCC2 -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 C 0 {3,S} {5,S} {6,S} {7,S} -5 C 0 {4,S} -6 C 0 {4,S} -7 H 0 {4,S} - -(O)CJOCC3 -1 * C 1 {2,D} {3,S} -2 O 0 {1,D} -3 O 0 {1,S} {4,S} -4 C 0 {3,S} {5,S} {6,S} {7,S} -5 C 0 {4,S} -6 C 0 {4,S} -7 C 0 {4,S} - -CtJ -1 * C 1 {2,T} -2 C 0 {1,T} - -Acetyl -1 * C 1 {2,T} -2 C 0 {1,T} {3,S} -3 H 0 {2,S} - -CbJ -1 * C 1 {2,B} {3,B} -2 C 0 {1,B} -3 C 0 {1,B} - -OJ -1 * O 1 - -HOJ -1 * O 1 {2,S} -2 H 0 {1,S} - -COJ -1 * O 1 {2,S} -2 C 0 {1,S} - -CsOJ -1 * O 1 {2,S} -2 Cs 0 {1,S} - -H3COJ -1 * O 1 {2,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 H 0 {2,S} -4 H 0 {2,S} -5 H 0 {2,S} - -CdsOJ -1 * O 1 {2,S} -2 {Cd,CO} 0 {1,S} - -RC=COJ -1 * O 1 {2,S} -2 Cd 0 {1,S} - -OJC=O -1 * O 1 {2,S} -2 CO 0 {1,S} - - -OOJ -1 * O 1 {2,S} -2 O 0 {1,S} - -ROOJ -1 * O 1 {2,S} -2 O 0 {1,S} {3,S} -3 R!H 0 {2,S} - -C3COOJ -1 * O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} {5,S} {6,S} -4 C 0 {3,S} -5 C 0 {3,S} -6 C 0 {3,S} - -C(=O)OOJ -1 * O 1 {2,S} -2 O 0 {1,S} {3,S} -3 C 0 {2,S} {4,D} -4 O 0 {3,D} - -HOOJ -1 * O 1 {2,S} -2 O 0 {1,S} {3,S} -3 H 0 {2,S} - -RJ2 -1 * R 2 - -CJ2 -1 * C 2 - -CsJ2 -1 * Cs 2 - -CH2 -1 * C 2 {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -CH2_t -1 * C 2t {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -CH2_s -1 * C 2s {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -CsJ2_P -1 * C 2 {2,S} {3,S} -2 C 0 {1,S} -3 H 0 {1,S} - -CsCsJ2 -1 * C 2 {2,S} {3,S} -2 Cs 0 {1,S} -3 H 0 {1,S} - -CCJ2 -1 * C 2 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -CCJ2_t -1 * C 2t {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -CCJ2_s -1 * C 2s {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -PhCH -1 * C 2 {2,S} {3,S} -2 Cb 0 {1,S} -3 H 0 {1,S} - -PhCH_t -1 * C 2t {2,S} {3,S} -2 Cb 0 {1,S} -3 H 0 {1,S} - -PhCH_s -1 * C 2s {2,S} {3,S} -2 Cb 0 {1,S} -3 H 0 {1,S} - -AllylJ2 -1 * C 2 {2,S} {3,S} -2 Cd 0 {1,S} -3 H 0 {1,S} - -AllylJ2_t -1 * C 2t {2,S} {3,S} -2 Cd 0 {1,S} -3 H 0 {1,S} - - -AllylJ2_s -1 * C 2s {2,S} {3,S} -2 Cd 0 {1,S} -3 H 0 {1,S} - -CsJ2_S -1 * C 2 {2,S} {3,S} -2 C 0 {1,S} -3 C 0 {1,S} - -C=SJ2 -1 * C 2 {2,D} -2 Sd 0 {1,D} - -CdJ2 -1 * {Cd,CO} 2 - -CCdJ2 -1 * C 2 {2,D} -2 C 0 {1,D} - -CCdJ2_t -1 * C 2t {2,D} -2 C 0 {1,D} - -CCdJ2_s -1 * C 2s {2,D} -2 C 0 {1,D} - -CO -1 * C 2s {2,D} -2 O 0 {1,D} - -Oa -1 * O 2 - -Oa_t -1 * O 2t - -Oa_s -1 * O 2s - -RJ3 -1 * R 3 - -CJ3 -1 * C 3 - -///////////////////////////////////////////////////////////////////// -// -// Radicals C and S -// Aaron Vandeputte -// August 3rd 2009 -// -///////////////////////////////////////////////////////////////////// - -CsJ-S -1 * C 1 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CsJ-SsHH -1 * C 1 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsJ-CSH -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CsSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CdSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} {5,D} -3 Ss 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} - -CsJ-CtSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CbSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Cb 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-C=SSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} {5,D} -3 Ss 0 {1,S} -4 H 0 {1,S} -5 Sd 0 {2,D} - -CsJ-CCS -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCdSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cd 0 {1,S}, {5,D} -4 Ss 0 {1,S} -5 C 0 {3,D} - -CsJ-CsCtSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Ct 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsCbSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cb 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsC=SSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cd 0 {1,S} {5,D} -4 Ss 0 {1,S} -5 Sd 0 {3,D} - -CsJ-SS -1 * C 1 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 R 0 {1,S} - -CsJ-SsSsH -1 * C 1 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 H 0 {1,S} - -CsJ-CSS -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CsSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 S 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CdSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ss 0 {1,S} -4 Ss 0 {1,S} -5 C 0 {2,D} - -CsJ-CtSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-CbSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cb 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CsJ-C=SSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S}, {5,D} -3 Ss 0 {1,S} -4 Ss 0 {1,S} -5 Sd 0 {2,D} - -CsJ-SsSsSs -1 * C 1 {2,S} {3,S} {4,S} -2 Ss 0 {1,S} -3 Ss 0 {1,S} -4 Ss 0 {1,S} - -CdsJ-Ss -1 * Cd 1 {2,S}, {3,D} -2 Ss 0 {1,S} -3 C 0 {1,D} - -C=SJ -1 * Cd 1 {2,D} -2 Sd 0 {1,D} - -C=SJ-H -1 * Cd 1 {2,S} {3,D} -2 H 0 {1,S} -3 Sd 0 {1,D} - -C=SJ-C -1 * Cd 1 {2,S} {3,D} -2 C 0 {1,S} -3 Sd 0 {1,D} - -C=SJ-Cs -1 * Cd 1 {2,S} {3,D} -2 Cs 0 {1,S} -3 Sd 0 {1,D} - -C=SJ-Cd -1 * Cd 1 {2,S} {3,D} -2 Cd 0 {1,S} -3 Sd 0 {1,D} - -C=SJ-Ss -1 * Cd 1 {2,S} {3,D} -2 Ss 0 {1,S} -3 Sd 0 {1,D} - -SJ -1 * Ss 1 - -SJ-H -1 * Ss 1 {2,S} -2 H 0 {1,S} - -SJ-C -1 * Ss 1 {2,S} -2 C 0 {1,S} - -SJ-Cs -1 * Ss 1 {2,S} -2 Cs 0 {1,S} - -SJ-Cd -1 * Ss 1 {2,S} -2 Cd 0 {1,S}, {3,D} -3 C 0 {2,D} - -SJ-Ct -1 * Ss 1 {2,S} -2 Ct 0 {1,S} - -SJ-Cb -1 * Ss 1 {2,S} -2 Cb 0 {1,S} - -SJ-C=S -1 * Ss 1 {2,S} -2 Cd 0 {1,S} {3,D} -3 Sd 0 {2,D} - -SJ-Ss -1 * Ss 1 {2,S} -2 Ss 0 {1,S} - -SJ-Ss-H -1 * Ss 1 {2,S} -2 Ss 0 {1,S} {3,S} -3 H 0 {2,S} - -SJ-Ss-Cs -1 * Ss 1 {2,S} -2 Ss 0 {1,S} {3,S} -3 C 0 {2,S} - -SJ-Ss-Ss -1 * Ss 1 {2,S} -2 Ss 0 {1,S} {3,S} -3 S 0 {2,S} - -CdJ2-Sd -1 * Cd 2 {2,D} -2 Sd 0 {1,D} - -CdJ2-Sd_s -1 * Cd 2s {2,D} -2 Sd 0 {1,D} - -CdJ2-Sd_t -1 * Cd 2s {2,D} -2 Sd 0 {1,D} - -SJ2 -1 * O 2 \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/Radical_Library.txt b/output/RMG_database_sulfur/thermo_groups/Radical_Library.txt deleted file mode 100644 index 6cd43f8dff..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Radical_Library.txt +++ /dev/null @@ -1,196 +0,0 @@ -////////////////////////////////////////////////////////////////////////////////////////////////// -// Group Library -// -// Jan 09, 2004 by Joanna Yu -// Apr 09, 2004 Modified by Hsi-Wu Wong (#) -// -// References -// -- CHEN & BOZZELLI C.-J. Chen, J.W. Bozzelli, J. Phys. Chem. A, 1999, 103, 9731-9769 -// -- ERWIN et al. Erwin et al., J. Am. Chem. Soc. 1990, 112, 5750-5759 -// -- JANOSCHEK & ROSSI R. Janoschek, M.J. Rossi, Int. J. Chem. Kinet., 2002, 34, 550-560 -// -- KIM et al. G.-S. Kim, T.L. Nguyen, A.M. Mebel, S.H. Lin, M.T. Nguyen, J. Phys. Chem. A, 2003, 107, 1788-1796 -// -- LAY et al. T.H. Lay, J.W. Bozzelli, A.M. Dean, E.R. Ritter, J. Phys. Chem., 1995, 99, 14514-14527 -// -- NGUYEN et al. T.L. Nguyen, G.-S. Kim, A.M. Mebel, M.T. Nguyen, Chem. Phys. Lett., 2001, 349, 571-577 -// -- PUTSMA et al. J.C. Putsma, J.J. Nash, J.A. Paulino, R.R. Squires, J. Am. Chem. Soc. 1997, 119, 4686-4697 -// -- SCHALLEY et al. C.A. Schalley et al., Eur. J. Org. Chem. 1998, 987-1009 -// -- SUMATHI & GREEN R. Sumathi, W.H. Green Jr., Phys. Chem. Chem. Phys., 2003, 5, 3402-3417 -// -- TSANG W. Tsang, Heats of Formation of Organic Free Radicals by Kinetic Methods in -// Energetics of Organic Free Radicals, J.A.M. Simoes, A. Greenberg, J.F. Liebman, -// eds., Blackie Academic and Professional, London, 1996, 22-58 -// -- WIJAYA et al. C. D. Wijaya, C. D., R. Sumathi, W.H. Green Jr., J. Phys. Chem. A, 2003, 107, 4908-4920 -////////////////////////////////////////////////////////////////////////////////////////////////// - - -//# Group H S Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 Note -0 Radical RJ -1 RJ CJ -2 CJ CsJ -3 CsJ Cs_P -4 CH3 104.81 0.52 0.71 0.34 -0.33 -1.07 -2.43 -3.54 -5.43 0.1 0 0 Calculated in relation to methane from NIST values -5 Cs_P 101.1 2.61 -0.77 -1.36 -1.91 -2.4 -3.16 -3.74 -4.66 0 0 0 Generic -6 CsCsJ Cs_P -7 CCJ 101.1 2.61 -0.65 -1.21 -1.75 -2.24 -3.02 -3.63 -3.63 0.2 0 0 LAY et al. -8 RCCJ 101.1 2.61 -0.77 -1.36 -1.91 -2.4 -3.16 -3.74 -4.66 0.2 0 0 LAY et al. CHEN & BOZZELLI # -9 Isobutyl 101.1 2.91 -0.54 -1.26 -1.92 -2.46 -3.27 -3.84 -3.84 0 0 0 LAY et al. -10 Neopentyl 101.1 3.03 -0.59 -1.32 -2.05 -2.65 -3.5 -4.06 -4.87 0 0 0 LAY et al. CHEN & BOZZELLI # -11 CJCOOH 103.26 3.54 -0.25 -0.76 -1.34 -1.91 -2.87 -3.6 -4.69 0 0 0 WIJAYA et al. -12 Benzyl_P 88.5 -4.74 0.75 0.6 0.13 -0.42 -1.41 -2.18 -2.18 0.1 0 0 LAY et al. -13 Allyl_P 88.2 -2.56 -0.62 -0.56 -0.78 -1.12 -1.84 -2.46 -3.49 0 0 0 LAY et al. CHEN & BOZZELLI # -14 C=CC=CCJ 80 -1.55 -1.83 -1.86 -1.98 -1.99 -2.3 -2.5 -2.5 0 0 0 LAY et al. -15 CTCC=CCJ 81 -3.55 -1.09 -1.62 -2.01 -2.63 -3.07 -3.48 -3.48 0 0 0 LAY et al. -16 C2JC=O 94.4 -1.16 0.32 0.19 -0.15 -0.57 -1.43 -2.22 -3.67 0 0 0 CHEN & BOZZELLI -17 Propargyl 89.4 -0.51 -0.84 -1.17 -1.56 -1.95 -2.7 -3.31 -5.31 0 0 0 LAY et al. CHEN & BOZZELLI # -18 Cs_S 98.45 4.44 -1.5 -2.33 -3.1 -3.39 -3.75 -4.45 -5.2 0 0 0 Generic -19 (Cs)2CsJ Cs_S -20 CCJC 98.45 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.99 0.2 0 0 LAY et al. CHEN & BOZZELLI # -21 RCCJC 98.45 5.13 -1.54 -2.77 -3.49 -3.9 -4.35 -4.64 -4.64 0 0 0 LAY et al. -22 RCCJCC 98.45 4.9 -1.71 -3.14 -3.92 -4.33 -4.71 -4.92 -4.92 0 0 0 LAY et al. -23 CCJCOOH 99.98 4.79 -0.65 -1.4 -2 -2.5 -3.27 -3.84 -4.73 0 0 0 WIJAYA et al. -24 Benzyl_S 85.9 -5.04 0.87 0.09 -0.63 -1.21 -2.07 -2.69 -2.69 0 0 0 LAY et al. -25 Allyl_S 85.6 -3.81 -1.54 -1.82 -2.08 -2.32 -2.75 -3.14 -3.85 0 0 0 LAY et al. CHEN & BOZZELLI # -26 CCJCHO 91.9 -2.37 -1.36 -1.57 -1.73 -1.89 -2.66 -3.11 -3.5 0 0 0 CHEN & BOZZELLI # -27 C=CCJC=C 76 -4.05 -2.13 -1.96 -1.88 -1.89 -2.2 -2.6 -2.6 0 0 0 LAY et al. -28 Sec_Propargyl 87 -0.45 -0.59 -1.2 -1.75 -2.19 -2.91 -3.49 -3.49 0 0 0 LAY et al. -29 Cs_T Tertalkyl -30 Tertalkyl 96.5 5.24 -0.78 -2.48 -3.55 -4.15 -4.75 -5.02 -5.39 0 0 0 LAY et al. CHEN & BOZZELLI # -31 C2CJCOOH 97.2 7.31 -3.54 -4.16 -4.44 -4.58 -4.74 -4.88 -5.23 0 0 0 WIJAYA et al. -32 Benzyl_T 83.8 -5.34 0.27 -0.78 -1.54 -2.06 -2.74 -3.19 -3.19 0 0 0 LAY et al. -33 Allyl_T 83.4 -3.69 -1.79 -2.38 -2.74 -2.97 -3.28 -3.55 -3.55 0 0 0 LAY et al. -34 C2CJCHO 89.8 -1.71 0.62 -0.2 -1.23 -1.82 -2.87 -3.47 -3.47 0 0 0 CHEN & BOZZELLI #. Value for Cp1500 taken as equal to Cp1000 -35 Tert_Propargyl 84.5 1.48 -0.04 -1.01 -1.74 -2.41 -3.19 -3.65 -3.65 0 0 0 LAY et al. -36 CsJO CsJOH -37 CsJOH 96.51 0.09 0.25 0.18 -0.26 -0.83 -1.95 -2.85 -4.22 0 0 0 SUMATHI & GREEN -38 CsJOC CsJOCs -39 CsJOCs CsJOCH3 -40 CsJOCH3 97 0.78 -0.16 -0.4 -0.82 -1.33 -2.32 -3.13 -4.37 0 0 0 SUMATHI & GREEN -41 CsJOCC 96.83 1.41 -1.01 -1.22 -1.4 -1.71 -3.5 -3.24 -4.42 0 0 0 Calculated from data in SUMATHI & GREEN. Values might have large error bars. -42 CsJOCC2 96.16 -0.59 0.95 0.75 0.23 -0.43 -1.71 -2.72 -4.19 0 0 0 SUMATHI & GREEN -43 CsJOCC3 95.75 0.27 0.08 -0.09 -0.52 -1.06 -2.11 -2.96 -4.27 0 0 0 SUMATHI & GREEN -44 CsJOCds CsJOC(O) -45 CsJOC(O) 100.7 -0.18 0.91 0.89 0.42 -0.21 -1.5 -2.62 -4.43 0 0 0 SUMATHI & GREEN -46 CsJOC(O)H 100.88 -0.18 0.95 0.97 0.53 -0.12 -1.54 -2.76 -4.53 0 0 0 SUMATHI & GREEN -47 CsJOC(O)C 100.48 -0.17 0.88 0.81 0.31 -0.3 -1.45 -2.47 -4.33 0 0 0 SUMATHI & GREEN -48 CsJOO 98.5 -1.57 -0.18 -0.42 -0.79 -1.2 -1.99 -2.63 -3.65 0 0 0 SUMATHI & GREEN -49 CsJOOH 98.91 -1.52 -0.06 -0.35 -0.76 -1.19 -1.99 -2.64 -3.68 0 0 0 SUMATHI & GREEN -50 CsJOOC 98.34 -1.62 -0.31 -0.48 -0.82 -1.22 -1.99 -2.62 -3.63 0 0 0 SUMATHI & GREEN -51 CCsJO CCsJOC -52 CCsJOH 95.39 0.92 0.65 -0.01 -0.75 -1.43 -2.52 -3.31 -4.47 0 0 0 SUMATHI & GREEN -53 CCsJOC CCsJOCs -54 CCsJOCs 95.41 0.33 0.82 0.53 -0.11 -0.86 -2.2 -3.18 -4.51 0 0 0 SUMATHI & GREEN -55 CCsJOCds CCsJOC(O) -56 CCsJOC(O) 98.7 0.98 1.16 0.78 0.05 -0.73 -2.13 -3.24 -4.9 0 0 0 SUMATHI & GREEN -57 CCsJOC(O)H 98.87 0.98 1.2 0.88 0.16 -0.67 -2.22 -3.43 -5 0 0 0 SUMATHI & GREEN -58 CCsJOO 96.9 0.76 -0.48 -1.15 -1.68 -2.11 -2.77 -3.26 -4.02 0 0 0 SUMATHI & GREEN -59 CCsJOOH 97.19 0.77 -0.39 -1.08 -1.64 -2.08 -2.75 -3.26 -4.03 0 0 0 SUMATHI & GREEN -60 CCsJOOC 96.64 0.74 -0.58 -1.21 -1.73 -2.15 -2.8 -3.27 -4.01 0 0 0 SUMATHI & GREEN -61 C2CsJO C2CsJOC -62 C2CsJOH 94.5 2.17 0.31 -0.66 -1.54 -2.23 -3.17 -3.8 -4.72 0 0 0 SUMATHI & GREEN -63 C2CsJOC C2CsJOCs -64 C2CsJOCs 95.5 3.71 0.09 -1.37 -2.49 -3.26 -4.15 -4.63 -5.23 0 0 0 SUMATHI & GREEN -65 C2CsJOCds C2CsJOC(O) -66 C2CsJOC(O) 100.1 4.77 -0.04 -1.34 -2.3 -2.99 -3.99 -4.77 -5.98 0 0 0 SUMATHI & GREEN -67 C2CsJOC(O)H 99.97 4.88 -0.03 -1.28 -2.28 -3.1 -4.35 -5.19 -6.06 0 0 0 SUMATHI & GREEN -68 C2CsJOC(O)C 100.25 4.66 -0.04 -1.4 -2.32 -2.89 -3.62 -4.36 -5.9 0 0 0 SUMATHI & GREEN -69 C2CsJOO 96.7 2.22 -0.89 -2.09 -2.81 -3.24 -3.69 -3.97 -4.43 0 0 0 SUMATHI & GREEN -70 C2CsJOOH 96.74 2.37 -1.01 -2.17 -2.87 -3.3 -3.77 -4.05 -4.49 0 0 0 SUMATHI & GREEN -71 C2CsJOOC 96.58 2.08 -0.78 -2.02 -2.75 -3.18 -3.62 -3.88 -4.37 0 0 0 SUMATHI & GREEN -72 CdsJ Cds_P -73 Cds_P Vin -74 Vin 111.2 1.39 -0.19 -0.75 -1.36 -1.92 -2.82 -3.49 -4.53 0 0 0 LAY et al. CHEN & BOZZELLI # -75 C=C=CJ 89 1.29 -0.45 -1.05 -1.64 -2.15 -2.98 -3.6 -3.6 0 0 0 LAY et al. -76 Cds_S Vins -77 Vins 109 1.81 -0.34 -1.21 -1.94 -2.52 -3.34 -3.91 -4.76 0 0 0 LAY et al. CHEN & BOZZELLI # -78 C=CJC=C 99.8 0.71 0.19 -0.76 -1.51 -2.01 -2.7 -3.17 -3.17 0 0 0 LAY et al. -79 CdsJO CCJ=O -80 HCdsJO 88.45 -0.01 -0.19 -0.65 -1.19 -1.73 -2.63 -3.32 -4.42 0 0 0 Calculated in relation to formaldehyde from NIST values -81 CCJ=O CsCJ=O -82 CsCJ=O 89 1.12 -0.83 -1.43 -1.96 -2.42 -3.16 -3.73 -4.64 0 0 0 CHEN & BOZZELLI # -83 C=CCJ=O 83 -1.39 -0.19 -0.85 -1.59 -2.21 -3.21 -3.89 -4.61 0 0 0 CHEN & BOZZELLI # -84 (O)CJO (O)CJOC -85 (O)CJOH 100.75 0.78 0.02 -0.66 -1.4 -2.12 -3.41 -4.44 -5.79 0 0 0 SUMATHI & GREEN # -86 (O)CJOC 98.99 0.72 0.45 -0.27 -1.19 -2.1 -3.63 -4.69 -5.8 0 0 0 SUMATHI & GREEN (Hf assigned value of (O)CJOCH(CH3)2) -87 (O)CJOCH3 100.1 0.72 0.51 -0.11 -0.94 -1.8 -3.34 -4.48 -5.79 0 0 0 SUMATHI & GREEN -88 (O)CJOCC 99.49 0.55 0.45 -0.13 -0.98 -1.86 -3.43 -4.56 -5.79 0 0 0 SUMATHI & GREEN (values from (O)CJOCH2CH3) -89 (O)CJOCC2 98.99 0.82 0.74 -0.06 -1.04 -2.01 -3.6 -4.66 -5.77 0 0 0 SUMATHI & GREEN (values from (O)CJOCH(CH3)2) -90 (O)CJOCC3 97.98 0.76 0.11 -0.79 -1.8 -2.73 -4.17 -5.06 -5.87 0 0 0 SUMATHI & GREEN (values from (O)CJOC(CH3)3) -91 CtJ Acetyl -92 Acetyl 132.7 2.11 -0.51 -1.56 -2.27 -2.78 -3.47 -3.97 -3.97 0 0 0 LAY et al. -93 CbJ 113 1.48 -0.41 -1.18 -1.93 -2.69 -3.75 -4.48 -5.24 0 0 0 BDE from TSANG, S and Cp from THERM -94 OJ COJ -95 HOJ 119.22 -2.6 -0.87 -1.1 -1.36 -1.62 -2.11 -2.53 -3.38 0 0 0 Calculated from NIST values for H2O, OH and H -96 COJ CsOJ -97 CsOJ 104.06 -1.46 -0.98 -1.3 -1.61 -1.89 -2.38 -2.8 -3.59 0 0 0 CHEN & BOZZELLI(ROJ) -98 H3COJ 104.27 0.51 -1.11 -1.29 -1.62 -1.97 -2.59 -3.07 -3.84 0 0 0 Enthalpy HBI calculated from NIST values, entropy and Cp from B3LYP/6-31G* for CH3OH, CH3O and H -99 CdsOJ RC=COJ -100 RC=COJ 88 -1.11 -1.34 -1.99 -2.48 -2.79 -3.13 -3.33 -3.79 0 0 0 CHEN & BOZZELLI -101 OJC=O 104 0.79 -1.31 -1.87 -2.32 -2.69 -3.28 -3.74 -4.56 0 0 0 CHEN & BOZZELLI -102 OOJ ROOJ -103 ROOJ 88.2 0.22 -2.05 -2.84 -3.55 -4.09 -4.72 -4.97 -5.08 0 0 0 CHEN & BOZZELLI -104 C3COOJ 85.3 0.22 -2.05 -2.84 -3.55 -4.09 -4.72 -4.97 -5.08 0 0 0 CHEN & BOZZELLI -105 C(=O)OOJ 98.33 0.22 -2.05 -2.84 -3.55 -4.09 -4.72 -4.97 -5.08 0 0 0 HBI for enthalpy from CHEN & BOZZELLI. Cp and S values taken from ROOJ -106 HOOJ 85.13 -0.92 -1.99 -2.68 -3.07 -3.3 -3.55 -3.66 -3.9 0 0 0 Calculated from NIST values for H2O2, O2H and H -107 RJ2 CJ2 -108 CJ2 CsJ2 -109 CsJ2 CH2 -110 CH2 CH2_t -111 CH2_t 214.44 -1.73 -0.27 -1.08 -2.14 -3.23 -5.18 -6.74 -9.47 0 0 0 Calculated for methylene in relation to methane from NIST values -112 CH2_s 223.7 -1.73 -0.27 -1.08 -2.14 -3.23 -5.18 -6.74 -9.47 0 0 0 BDE JANOSCHEK & ROSSI. S and Cp from CH2_t. -113 CsJ2_P CsCsJ2 -114 CsCsJ2 CCJ2 -115 CCJ2 CCJ2_t -116 CCJ2_t 211.3 0 -0.81 -1.74 -2.69 -3.61 -5.18 -6.42 -8.36 0 0 0 BDE and Cp calculated from data in KIM et al. -117 CCJ2_s CCJ2_t -118 PhCH PhCH_t -119 PhCH_t 195 0 0 0 0 0 0 0 0 0 0 0 BDE from PUTSMA et al. -120 PhCH_s 205.8 0 0 0 0 0 0 0 0 0 0 0 BDE from NGUYEN et al. -121 AllylJ2 AllylJ2_t -122 AllylJ2_t 192.8 0 0 0 0 0 0 0 0 0 0 0 BDE from PUTSMA et al. -123 AllylJ2_s AllylJ2_t -124 CsJ2_S CsJ2_P -125 CdJ2 CCdJ2 -126 CCdJ2 CCdJ2_s -127 CCdJ2_t CCdJ2_s -128 CCdJ2_s 190.7 0 0 0 0 0 0 0 0 0 0 0 BDE from ERWIN et al. -129 CO 103.73 -6.47 -1.5 -2.38 -3.32 -4.24 -5.75 -6.88 -8.59 0 0 0 Value for carbon monoxide calculated in relation to formaldehyde from NIST values -130 Oa Oa_t -131 Oa_t 221.55 -8.02 -2.8 -3.05 -3.33 -3.62 -4.24 -4.86 -6.28 0 0 0 Calculated for atomic oxygen in relation to water from NIST values -132 Oa_s 266.9 -8.02 -2.8 -3.05 -3.33 -3.62 -4.24 -4.86 -6.28 0 0 0 BDE from SCHALLEY et al. S and Cp values taken from Oa_t -133 RJ3 CJ3 -134 CJ3 316.19 -5.7 -1.57 -2.73 -4.11 -5.5 -7.92 -9.85 -12.95 0 0 0 Calculated for methylidyene in relation to methane from NIST values - -////////////////////////////////////////////// -// Radical Tree Sulfur atoms // -// Updated August 28 // -// 1D-HR Approximation, CBS-QB3 method // -// Aäron G. Vandeputte // -////////////////////////////////////////////// - -135 SJ-H 91.79 -4.62 -1.20 -1.52 -1.84 -2.17 -2.73 -3.20 -3.95 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -136 SJ-Cs 86.95 -3.18 -1.32 -1.36 -1.61 -1.92 -2.54 -3.05 -3.87 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -137 SJ-Cd 88.63 -3.12 -2.28 -2.48 -2.71 -2.91 -3.28 -3.59 -4.15 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -138 SJ-Ct 76.31 -5.13 -0.87 -1.73 -2.33 -2.79 -3.48 -4.01 -4.85 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -139 SJ-Cb 81.09 -4.06 -1.74 -1.97 -2.21 -2.45 -2.92 -3.34 -4.03 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -140 SJ-C=S 80.00 -0.23 -2.83 -3.46 -3.82 -4.07 -4.51 -4.89 -5.40 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -141 SJ-Ss-H 73.24 -2.51 -1.86 -2.60 -3.16 -3.57 -4.15 -4.49 -4.89 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -142 SJ-Ss-Cs 70.87 -1.36 -2.88 -3.34 -3.70 -3.99 -4.40 -4.67 -4.95 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -143 SJ-Ss-Ss 73.05 0.86 -3.02 -3.86 -4.50 -5.00 -5.67 -5.96 -5.94 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -144 CsJ-SsHH 95.38 1.04 0.80 0.51 -0.02 -0.64 -1.78 -2.68 -4.09 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -145 CsJ-CsSsH 93.84 1.36 -0.41 -0.84 -1.35 -1.84 -2.70 -3.37 -4.44 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -146 CsJ-CdSsH 82.09 0.66 -3.20 -2.79 -2.43 -2.29 -2.43 -2.77 -3.56 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -147 CsJ-CtSsH 83.55 -0.28 0.35 0.07 -0.41 -0.93 -1.94 -2.77 -4.11 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -148 CsJ-CbSsH 84.91 -0.98 -0.32 -0.38 -0.65 -1.01 -1.75 -2.40 -3.57 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -149 CsJ-C=SSsH 72.28 -3.74 -3.87 -3.07 -2.17 -1.59 -1.20 -1.30 -2.00 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -150 CsJ-SsSsH 90.34 1.33 -4.57 -4.04 -3.66 -3.54 -3.68 -4.00 -4.72 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -151 CsJ-CsCsSs 93.09 6.54 -1.26 -2.26 -2.90 -3.31 -3.84 -4.20 -4.84 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -152 CsJ-CsCdSs 80.81 2.52 -3.98 -4.76 -4.85 -4.64 -4.21 -4.02 -4.12 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -153 CsJ-CsCtSs 81.67 3.62 -1.00 -1.53 -2.02 -2.45 -3.14 -3.68 -4.59 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -154 CsJ-CsCbSs 83.97 1.52 -1.94 -2.22 -2.51 -2.74 -3.11 -3.49 -4.42 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -155 CsJ-CsC=SSs 69.20 -1.97 -3.86 -3.83 -3.41 -2.93 -2.28 -2.06 -2.36 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -156 CsJ-CsSsSs 90.89 6.89 -3.42 -4.03 -4.18 -4.24 -4.36 -4.54 -5.00 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -157 CdsJ-Ss 112.01 0.66 1.34 0.42 -0.52 -1.31 -2.45 -3.24 -4.39 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -158 C=SJ-H 92.35 -0.14 -0.31 -0.88 -1.47 -1.99 -2.85 -3.49 -4.52 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -159 C=SJ-Cs 91.87 0.48 -1.21 -1.76 -2.24 -2.65 -3.30 -3.81 -4.67 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -1159 C=SJ-Cd 77.87 0.48 -1.21 -1.76 -2.24 -2.65 -3.30 -3.81 -4.67 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -160 CdJ2-Sd_s 143.53 -6.23 -1.97 -2.97 -3.85 -4.60 -5.82 -6.79 -8.44 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -161 CdJ2-Sd_t 238.75 -3.31 -1.42 -2.30 -3.22 -4.04 -5.42 -6.50 -8.29 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -162 SJ2 176.42 -12.02 -3.19 -3.52 -3.89 -4.30 -5.12 -5.86 -7.14 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 diff --git a/output/RMG_database_sulfur/thermo_groups/Radical_Tree.txt b/output/RMG_database_sulfur/thermo_groups/Radical_Tree.txt deleted file mode 100644 index 48aa262204..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Radical_Tree.txt +++ /dev/null @@ -1,255 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// Radical Tree -// -// Joanna Yu -// Jan 09, 2004 -// -// March 21, 2003: Added bi- and tri-radicals -// August 12, 2003: Differentiated between singlet or triplet -// August 27, 2003: Added values for oxygenated groups (Sumathi & -// Green and Chen & Bozzelli) -///////////////////////////////////////////////////////////////////// - - -////////////////////////////////////////////////////////////////// -//Thermo Nomenclature -// -//C Carbon atom, bonds are still not defined -//Ct Carbon atom with one triple bond and one single bond -//Cs Carbon atom with four single bonds -//Cd Carbon atom with one double bond and the rest not defined -//Cdd Carbon atom with two double bonds -//Cds Carbon atom with one double bond and two single bonds -//Cb Carbon atom belonging to a benzene ring -//Cbf Carbon atom belonging to a fused benzene ring -//H Hydrogen atom -//Os Oxygen atom with two single bonds -//Od Oxygen atom with one double bond -////////////////////////////////////////////////////////////////// - -L0: Radical - -L1: RJ - - L2: CJ // any carbon radical - - L3: CsJ // originally sp3 central carbon - - L4: CH3 // methyl readical - - L4: Cs_P // primary radical - L5: CsCsJ - L6: CCJ - L6: RCCJ - L6: Isobutyl - L6: Neopentyl - L6: CJCOOH - L5: Benzyl_P - L5: Allyl_P - L6: C=CC=CCJ - L6: CTCC=CCJ - L6: C2JC=O - L5: Propargyl - - - L4: Cs_S // secondary radical - L5: (Cs)2CsJ - L6: CCJC - L6: RCCJC - L6: RCCJCC - L6: CCJCOOH - L5: Benzyl_S - L5: Allyl_S - L6: CCJCHO - L5: C=CCJC=C - L5: Sec_Propargyl - - L4: Cs_T // tertiary radical - L5: Tertalkyl - L6: C2CJCOOH - L5: Benzyl_T - L5: Allyl_T - L6: C2CJCHO - L5: Tert_Propargyl - - L4: CsJO - L5: CsJOH - L5: CsJOC - L6: CsJOCs - L7: CsJOCH3 - L7: CsJOCC - L7: CsJOCC2 - L7: CsJOCC3 - L6: CsJOCds - L7: CsJOC(O) - L8: CsJOC(O)H - L8: CsJOC(O)C - L5: CsJOO - L6: CsJOOH - L6: CsJOOC - - L4: CCsJO - L5: CCsJOH - L5: CCsJOC - L6: CCsJOCs - L6: CCsJOCds - L7: CCsJOC(O) - L8: CCsJOC(O)H - L8: CCsJOC(O)C - L5: CCsJOO - L6: CCsJOOH - L6: CCsJOOC - - L4: C2CsJO - L5: C2CsJOH - L5: C2CsJOC - L6: C2CsJOCs - L6: C2CsJOCds - L7: C2CsJOC(O) - L8: C2CsJOC(O)H - L8: C2CsJOC(O)C - L5: C2CsJOO - L6: C2CsJOOH - L6: C2CsJOOC - - L4: CsJ-S - L5: CsJ-SsHH - L5: CsJ-CSH - L6: CsJ-CsSsH - L6: CsJ-CdSsH - L6: CsJ-CtSsH - L6: CsJ-CbSsH - L6: CsJ-C=SSsH - L5: CsJ-CCS - L6: CsJ-CsCsSs - L6: CsJ-CsCdSs - L6: CsJ-CsCtSs - L6: CsJ-CsCbSs - L6: CsJ-CsC=SSs - - L4: CsJ-SS - L5: CsJ-SsSsH - L5: CsJ-CSS - L6: CsJ-CsSsSs - L6: CsJ-CdSsSs - L6: CsJ-CtSsSs - L6: CsJ-CbSsSs - L6: CsJ-C=SSsSs - - L4: CsJ-SsSsSs - - L3: CdsJ // sp2 central carbon - - L4: Cds_P - L5: Vin - L5: C=C=CJ - - L4: Cds_S - L5: Vins - L5: C=CJC=C - - L4: CdsJO - L5: HCdsJO - L5: CCJ=O - L6: CsCJ=O - L6: C=CCJ=O - L5: (O)CJO - L6: (O)CJOH - L6: (O)CJOC - L7: (O)CJOCH3 - L7: (O)CJOCC - L7: (O)CJOCC2 - L7: (O)CJOCC3 - - L4: CdsJ-Ss - - L4: C=SJ - L5: C=SJ-H - L5: C=SJ-C - L6: C=SJ-Cs - L6: C=SJ-Cd - L5: C=SJ-Ss - - - L3: CtJ // sp central carbon - - L4: Acetyl - - L3: CbJ - - L2: OJ // any oxigen radical - L3: HOJ // H-O. - L3: COJ // C-O. - L4: CsOJ - L5: H3COJ - L4: CdsOJ - L5: RC=COJ - L5: OJC=O - - L3: OOJ // O-O. - L4: ROOJ - L5: C3COOJ - L5: C(=O)OOJ - L4: HOOJ - - L2: SJ // any sulfur radical - L3: SJ-H // H-S. - L3: SJ-C - L4: SJ-Cs - L4: SJ-Cd - L4: SJ-Ct - L4: SJ-Cb - L4: SJ-C=S - L3: SJ-Ss - L4: SJ-Ss-H - L4: SJ-Ss-Cs - L4: SJ-Ss-Ss - -L1: RJ2 // biradicals - - L2: CJ2 - - L3: CsJ2 - - L4: CH2 - L5: CH2_t // triplet - L5: CH2_s // singlet - - L4: CsJ2_P - L5: CsCsJ2 - L6: CCJ2 - L7: CCJ2_t - L7: CCJ2_s - - L5: PhCH - L6: PhCH_t - L6: PhCH_s - - L5: AllylJ2 - L6: AllylJ2_t - L6: AllylJ2_s - - L4: CsJ2_S - - L4: C=SJ2 - - L3: CdJ2 - - L4: CCdJ2 - L5: CCdJ2_t - L5: CCdJ2_s - L4: CO // carbon monoxide - - L4: CdJ2-Sd - L5: CdJ2-Sd_s - L5: CdJ2-Sd_t - - L2: Oa - L2: Oa_t - L2: Oa_s - - L2: SJ2 // triplet state - -L1: RJ3 // triradicals - - L2: CJ3 \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/Ring/CVS/Entries b/output/RMG_database_sulfur/thermo_groups/Ring/CVS/Entries deleted file mode 100644 index 6865059c02..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Ring/CVS/Entries +++ /dev/null @@ -1,2 +0,0 @@ -/Ring_Corrections.txt/1.2/Tue Oct 28 22:03:39 2008// -/Ring_Dictionary.txt/1.2/Tue Oct 28 22:03:39 2008// diff --git a/output/RMG_database_sulfur/thermo_groups/Ring/CVS/Repository b/output/RMG_database_sulfur/thermo_groups/Ring/CVS/Repository deleted file mode 100644 index 0ead28edf1..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Ring/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/thermo/Ring diff --git a/output/RMG_database_sulfur/thermo_groups/Ring/CVS/Root b/output/RMG_database_sulfur/thermo_groups/Ring/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Ring/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/thermo_groups/Ring/Ring_Corrections.txt b/output/RMG_database_sulfur/thermo_groups/Ring/Ring_Corrections.txt deleted file mode 100644 index 3fe9d68fc7..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Ring/Ring_Corrections.txt +++ /dev/null @@ -1,523 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// Ring Correction Library -// Joanna Yu -// -// June 10, 2004 Paul Yelvington: Changed R,C to Cs,Cd,etc. Made only -// one reactive center per ring correction. No multiple rings. -// April 12, 2004 Joanna Yu: Corrected -// Jing Song: get rid of the dots following the index -// Nov 7, 2002 -///////////////////////////////////////////////////////////////////// - -// Each entry is associated with a number, the name of the ring, its formula, the symmetry, followed by the correction values, -// and in the next line the corresponding adjacency list. -// The atoms that are part of the ring are marked by a * -// Sigma (symmetry) numbers of 0 are values that I put in. - -// Types of bonds present in this list: -// S, D, Dcis, Dtrans, B - -// H in kcal/mol S and Cps is cal/mol K - -// # Ring Formula Sigma H S Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 Note - -//////////// Hydrocarbon rings - -// num. identical central atoms = three -1 Cyclopropane C3R6 6 27.6 32.1 -3.05 -2.53 -2.10 -1.90 -1.77 -1.62 -1.52 "Cyclopropane ring BENSON" -1 * Cs 0 {2,S} {3,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {1,S} - -2 Cyclopropene C3R4 2 53.7 33.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclopropene ring BENSON" -1 * Cs 0 {2,S} {3,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {1,S} {2,D} - -3 Methylene_cyclopropane C4R6 0 41.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Methylene cyclopropane ring BENSON" -1 * Cd 0 {2,S} {3,S} {4,D} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {1,S} {2,S} -4 Cd 0 {1,D} - -// num. identical central atoms = four -4 Cyclobutane C4R8 8 26.2 29.8 -4.61 -3.89 -3.14 -2.64 -1.88 -1.38 -0.67 "Cyclobutane ring BENSON" -1 * Cs 0 {2,S} {4,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {1,S} - -// num. identical central atoms = two -5 Cyclobutene C4R6 2 29.8 29.0 -2.53 -2.19 -1.89 -1.68 -1.48 -1.33 -1.22 "Cyclobutene ring BENSON" -1 * Cs 0 {2,S} {4,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {3,S} {1,S} - -// num. identical central atoms = five -6 Cyclopentane C5R10 10 6.3 27.3 -6.50 -5.5 -4.5 -3.8 -2.8 -1.93 -0.37 "Cyclopentane ring BENSON" -1 * Cs 0 {2,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} - -7 Cyclopentene C5R8 2 5.9 25.8 -5.98 -5.35 -4.89 -4.14 -2.93 -2.26 -1.08 "Cyclopentene ring BENSON" -1 Cs 0 {2,S} {5,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {3,S} {5,S} -5 * Cs 0 {4,S} {1,S} - -8 Cyclopentadiene C5R6 2 6.0 28.0 -4.3 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclopentadiene ring BENSON" -1 * Cs 0 {2,S} {5,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {1,S} {4,D} - -// num. identical central atoms = six -9 Cyclohexane C6R12 6 0 18.8 -5.8 -4.1 -2.9 -1.3 1.1 2.2 3.3 "Cyclohexane ring BENSON" -1 * Cs 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {1,S} - -// num. identical central atoms = two -10 Cyclohexene C6R10 2 1.4 21.5 -4.28 -3.04 -1.98 -1.43 -0.29 0.08 0.81 "Cyclohexene ring BENSON" -1 * Cs 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {1,S} - -// num. identical central atoms = two -11 1,3-Cyclohexadiene C6R8 0 4.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3-Cyclohexadiene ring BENSON" -1 * Cs 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {1,S} {5,D} - -// num. identical central atoms = two -12 1,4-Cyclohexadiene C6R8 0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,4-Cyclohexadiene ring BENSON" -1 * Cs 0 {2,S} {6,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {5,S} {3,S} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {1,S} {5,D} - -// num. identical central atoms = seven -13 Cycloheptane C7R14 1 6.4 15.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cycloheptane ring BENSON" -1 * Cs 0 {2,S} {7,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {1,S} - -14 Cycloheptene C7R12 0 5.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cycloheptene ring BENSON" -1 * Cs 0 {2,S} {7,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {6,S} {4,D} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {1,S} - -15 1,3-Cycloheptadiene C7R10 0 6.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3-Cycloheptadiene ring BENSON" -1 * Cs 0 {2,S} {7,S} -2 Cs 0 {1,S} {3,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {7,S} {5,D} -7 Cs 0 {6,S} {1,S} - -16 1,3,5-Cycloheptatriene C7R8 1 4.7 23.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3,5-Cycloheptatriene ring BENSON" -1 * Cs 0 {2,S} {7,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {6,S} {4,D} -6 Cd 0 {5,S} {7,D} -7 Cd 0 {1,S} {6,D} - -// num. identical central atoms = eight -17 Cyclooctane C8R16 8 9.9 16.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclooctane ring BENSON" -1 * Cs 0 {2,S} {8,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {1,S} - -// num. identical central atoms = two -18 cis-Cyclooctene C8R14 0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "cis-Cyclooctene ring BENSON" -1 * Cd 0 {8,S} {2,Dcis} -2 Cd 0 {3,S} {1,Dcis} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {1,S} - -// num. identical central atoms = two -19 trans-Cyclooctene C8R14 0 15.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "trans-Cyclooctene ring BENSON" -1 * Cd 0 {8,S} {2,Dtrans} -2 Cd 0 {3,S} {1,Dtrans} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {1,S} - -// num. identical central atoms = two -20 1,3,5-Cyclooctatriene C8R10 0 8.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3,5-Cyclooctatriene ring BENSON" -1 * Cs 0 {2,S} {8,S} -2 Cs 0 {1,S} {3,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {7,S} {5,D} -7 Cd 0 {6,S} {8,D} -8 Cd 0 {1,S} {7,D} - -// num. identical central atoms = eight -21 Cyclooctatetraene C8R8 0 17.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclooctatetraene ring BENSON" -1 * Cd 0 {8,S} {2,D} -2 Cd 0 {3,S} {1,D} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {7,S} {5,D} -7 Cd 0 {6,S} {8,D} -8 Cd 0 {1,S} {7,D} - -// num. identical central atoms = nine -22 Cyclononane C9R18 0 12.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclononane ring BENSON" -1 * Cs 0 {2,S} {9,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {1,S} - -23 cis-Cyclononene C9R16 0 9.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "cis-Cyclononene ring BENSON" -1 Cd 0 {9,S} {2,Dcis} -2 Cd 0 {3,S} {1,Dcis} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 * Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {1,S} - -24 trans-Cyclononene C9R16 0 12.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "trans-Cyclononene ring BENSON" -1 Cd 0 {9,S} {2,Dtrans} -2 Cd 0 {3,S} {1,Dtrans} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 * Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {1,S} - -// num. identical central atoms = ten -25 Cyclodecane C10R20 0 12.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclodecane ring BENSON" -1 * Cs 0 {2,S} {10,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {1,S} - -// num. identical central atoms = twelve -26 Cyclododecane C12R24 0 4.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclododecane ring BENSON" -1 * Cs 0 {2,S} {12,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {11,S} -11 Cs 0 {10,S} {12,S} -12 Cs 0 {11,S} {1,S} - -//////////////Hydrocarbons with two rings - -//////////////Hydrocarbons with three rings - - -///////////////////////////////////////////////////////////////////////////////// -//////////////Oxygen-containing rings - -37 Ethylene_oxide C2OR4 0 26.9 30.5 -2.0 -2.8 -3.0 -2.6 -2.3 -2.3 -2.3 "Ethylene oxide ring BENSON Cp1500 est. as Cp1000" -1 * O 0 {2,S} {3,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {1,S} - -38 Oxetane C3OR6 0 25.7 27.7 -4.6 -5.0 -4.2 -3.5 -2.5 0.2 0.2 "Oxetane ring BENSON Cp1500 est. as Cp1000" -1 * O 0 {2,S} {4,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {1,S} - -39 Tetrahydrofuran C4OR8 0 5.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Tetrahydrofuran ring BENSON" -1 * O 0 {2,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} - -40 Tetrahydro-2H-pyran C5OR10 0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Tetrahydro-2H-pyran ring BENSON" -1 * O 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {1,S} - -41 1,3-Dioxane C4O2R8 0 0.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3-Dioxane ring BENSON" -1 O 0 {2,S} {6,S} -2 * Cs 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {1,S} - -// num. identical central atoms = two -42 1,4-Dioxane C4O2R8 0 3.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,4-Dioxane ring BENSON" -1 Cs 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 * O 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 O 0 {5,S} {1,S} - -// num. identical central atoms = three -43 1,3,5-Trioxane C3O3R6 0 6.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3,5-Trioxane ring BENSON" -1 Cs 0 {2,S} {6,S} -2 O 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 * O 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 O 0 {5,S} {1,S} - -44 2,3-Dihydrofuran C4OR6 0 4.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "2,3-Dihydrofuran ring BENSON" -1 * O 0 {2,S} {5,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} - -45 1,3-Dioxolane C3O2R6 0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3-Dioxolane ring BENSON" -1 * Cs 0 {2,S} {5,S} -2 O 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 O 0 {4,S} {1,S} - -46 Furan C4OR4 0 -5.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Furan ring BENSON" -1 Cd 0 {5,S} {2,D} -2 Cd 0 {3,S} {1,D} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 * O 0 {4,S} {1,S} - -47 3,4-Dihydro-2H-pyran C5OR8 0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "3,4-Dihydro-2H-pyran ring BENSON" -1 * O 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {1,S} {5,D} - -48 Dihydro-2,5-furandione C4O3R4 0 4.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Dihydro-2,5-furandione ring BENSON" -1 * O 0 {2,S} {5,S} -2 CO 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 CO 0 {4,S} {1,S} - -49 Pentanedioic_anhydride C4O3R6 0 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Pentanedioic anhydride ring BENSON" -1 * O 0 {2,S} {6,S} -2 CO 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 CO 0 {5,S} {1,S} - -50 2,5-Furandione C4O3R2 0 3.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "2,5-Furandione ring BENSON" -1 * O 0 {2,S} {5,S} -2 CO 0 {1,S} {3,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 CO 0 {4,S} {1,S} - -51 Beta-Propiolactone C3O2R4 0 23.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Beta-Propiolactone ring BENSON" -1 * O 0 {2,S} {4,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 CO 0 {3,S} {1,S} - -52 4-Methylene-2-oxetanone C4O2R4 0 22.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "4-Methylene-2-oxetanone ring BENSON" -1 * O 0 {2,S} {4,S} -2 Cd 0 {1,S} {3,S} {5,D} -3 Cs 0 {2,S} {4,S} -4 CO 0 {3,S} {1,S} -5 Cd 0 {2,D} - -53 Cyclobutanone C4OR6 0 22.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclobutanone ring BENSON" -1 * CO 0 {2,S} {4,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {1,S} - -54 Cyclopentanone C5OR8 0 5.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclopentanone ring BENSON" -1 * CO 0 {2,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} - -55 Cyclohexanone C6OR10 0 2.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclohexanone ring BENSON" -1 * CO 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {1,S} - -56 Cycloheptanone C7OR12 0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cycloheptanone ring BENSON" -1 * CO 0 {2,S} {7,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {1,S} - -57 Cyclooctanone C8OR14 0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclooctanone ring BENSON" -1 * CO 0 {2,S} {8,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {1,S} - -58 Cyclononanone C9OR16 0 4.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclononanone ring BENSON" -1 * CO 0 {2,S} {9,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {1,S} - -59 Cyclodecanone C10OR18 0 3.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclodecanone ring BENSON" -1 * CO 0 {2,S} {10,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {1,S} - -60 Cycloundecanone C11OR20 0 4.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cycloundecanone ring BENSON" -1 * CO 0 {2,S} {11,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {11,S} -11 Cs 0 {10,S} {1,S} - -61 Cyclododecanone C12OR22 0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclododecanone ring BENSON" -1 * CO 0 {2,S} {12,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {11,S} -11 Cs 0 {10,S} {12,S} -12 Cs 0 {11,S} {1,S} - -62 Cyclo(C15)anone C15OR28 0 2.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclo(C15)anone ring BENSON" -1 * CO 0 {2,S} {15,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {11,S} -11 Cs 0 {10,S} {12,S} -12 Cs 0 {11,S} {13,S} -13 Cs 0 {12,S} {14,S} -14 Cs 0 {13,S} {15,S} -15 Cs 0 {14,S} {1,S} - -63 Cyclo(C17)anone C17OR32 0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclo(C17)anone ring BENSON" -1 * CO 0 {2,S} {17,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {11,S} -11 Cs 0 {10,S} {12,S} -12 Cs 0 {11,S} {13,S} -13 Cs 0 {12,S} {14,S} -14 Cs 0 {13,S} {15,S} -15 Cs 0 {14,S} {16,S} -16 Cs 0 {15,S} {17,S} -17 Cs 0 {16,S} {1,S} - -//////////////Oxygen-containing structures with two rings - - -//////////////Oxygen-containing structures with three rings - diff --git a/output/RMG_database_sulfur/thermo_groups/Ring/Ring_Dictionary.txt b/output/RMG_database_sulfur/thermo_groups/Ring/Ring_Dictionary.txt deleted file mode 100644 index fdf87e01be..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Ring/Ring_Dictionary.txt +++ /dev/null @@ -1,512 +0,0 @@ -///////////////////////////////////////////////////////////// -// -// Paul Yelvington, June 10, 2004 -// Changed R,C to Cs,Cd,etc. Made only one reactive center -// per ring correction. No multiple rings. -// Jing Song, Feb, 17, 2004 -// change the original Ring_Correction.txt into -// Ring_Dictionary.txt, Ring_Tree.txt, and Ring_Library.txt -// To be consistent with other thermo databases -// -///////////////////////////////////////////////////////////// - -//////////// Hydrocarbon rings - -// num. identical central atoms = three -Cyclopropane -1 * Cs 0 {2,S} {3,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {1,S} - -Cyclopropene -1 * Cs 0 {2,S} {3,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {1,S} {2,D} - -Methylene_cyclopropane -1 * Cd 0 {2,S} {3,S} {4,D} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {1,S} {2,S} -4 Cd 0 {1,D} - -// num. identical central atoms = four -Cyclobutane -1 * Cs 0 {2,S} {4,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {1,S} - -// num. identical central atoms = two -Cyclobutene -1 * Cs 0 {2,S} {4,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {3,S} {1,S} - -// num. identical central atoms = five -Cyclopentane -1 * Cs 0 {2,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} - -Cyclopentene -1 Cs 0 {2,S} {5,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {3,S} {5,S} -5 * Cs 0 {4,S} {1,S} - -Cyclopentadiene -1 * Cs 0 {2,S} {5,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {1,S} {4,D} - -// num. identical central atoms = six -Cyclohexane -1 * Cs 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {1,S} - -// num. identical central atoms = two -Cyclohexene -1 * Cs 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {1,S} - -// num. identical central atoms = two -1,3-Cyclohexadiene -1 * Cs 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {1,S} {5,D} - -// num. identical central atoms = two -1,4-Cyclohexadiene -1 * Cs 0 {2,S} {6,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {5,S} {3,S} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {1,S} {5,D} - -// num. identical central atoms = seven -Cycloheptane -1 * Cs 0 {2,S} {7,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {1,S} - -Cycloheptene -1 * Cs 0 {2,S} {7,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {6,S} {4,D} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {1,S} - -1,3-Cycloheptadiene -1 * Cs 0 {2,S} {7,S} -2 Cs 0 {1,S} {3,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {7,S} {5,D} -7 Cs 0 {6,S} {1,S} - -1,3,5-Cycloheptatriene -1 * Cs 0 {2,S} {7,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {6,S} {4,D} -6 Cd 0 {5,S} {7,D} -7 Cd 0 {1,S} {6,D} - -// num. identical central atoms = eight -Cyclooctane -1 * Cs 0 {2,S} {8,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {1,S} - -// num. identical central atoms = two -cis-Cyclooctene -1 * Cd 0 {8,S} {2,Dcis} -2 Cd 0 {3,S} {1,Dcis} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {1,S} - -// num. identical central atoms = two -trans-Cyclooctene -1 * Cd 0 {8,S} {2,Dtrans} -2 Cd 0 {3,S} {1,Dtrans} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {1,S} - -// num. identical central atoms = two -1,3,5-Cyclooctatriene -1 * Cs 0 {2,S} {8,S} -2 Cs 0 {1,S} {3,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {7,S} {5,D} -7 Cd 0 {6,S} {8,D} -8 Cd 0 {1,S} {7,D} - -// num. identical central atoms = eight -Cyclooctatetraene -1 * Cd 0 {8,S} {2,D} -2 Cd 0 {3,S} {1,D} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {7,S} {5,D} -7 Cd 0 {6,S} {8,D} -8 Cd 0 {1,S} {7,D} - -// num. identical central atoms = nine -Cyclononane -1 * Cs 0 {2,S} {9,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {1,S} - -cis-Cyclononene -1 Cd 0 {9,S} {2,Dcis} -2 Cd 0 {3,S} {1,Dcis} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 * Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {1,S} - -trans-Cyclononene -1 Cd 0 {9,S} {2,Dtrans} -2 Cd 0 {3,S} {1,Dtrans} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 * Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {1,S} - -// num. identical central atoms = ten -Cyclodecane -1 * Cs 0 {2,S} {10,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {1,S} - -// num. identical central atoms = twelve -Cyclododecane -1 * Cs 0 {2,S} {12,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {11,S} -11 Cs 0 {10,S} {12,S} -12 Cs 0 {11,S} {1,S} - -//////////////Hydrocarbons with two rings - -//////////////Hydrocarbons with three rings - - -///////////////////////////////////////////////////////////////////////////////// -//////////////Oxygen-containing rings - - Ethylene_oxide -1 * O 0 {2,S} {3,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {1,S} - -Oxetane -1 * O 0 {2,S} {4,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {1,S} - -Tetrahydrofuran -1 * O 0 {2,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} - -Tetrahydro-2H-pyran -1 * O 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {1,S} - -1,3-Dioxane -1 O 0 {2,S} {6,S} -2 * Cs 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {1,S} - -// num. identical central atoms = two -1,4-Dioxane -1 Cs 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 * O 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 O 0 {5,S} {1,S} - -// num. identical central atoms = three -1,3,5-Trioxane -1 Cs 0 {2,S} {6,S} -2 O 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 * O 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 O 0 {5,S} {1,S} - -2,3-Dihydrofuran -1 * O 0 {2,S} {5,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} - -1,3-Dioxolane -1 * Cs 0 {2,S} {5,S} -2 O 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 O 0 {4,S} {1,S} - -Furan -1 Cd 0 {5,S} {2,D} -2 Cd 0 {3,S} {1,D} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 * O 0 {4,S} {1,S} - -3,4-Dihydro-2H-pyran -1 * O 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {1,S} {5,D} - -Dihydro-2,5-furandione -1 * O 0 {2,S} {5,S} -2 CO 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 CO 0 {4,S} {1,S} - -Pentanedioic_anhydride -1 * O 0 {2,S} {6,S} -2 CO 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 CO 0 {5,S} {1,S} - -2,5-Furandione -1 * O 0 {2,S} {5,S} -2 CO 0 {1,S} {3,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 CO 0 {4,S} {1,S} - -Beta-Propiolactone -1 * O 0 {2,S} {4,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 CO 0 {3,S} {1,S} - -4-Methylene-2-oxetanone -1 * O 0 {2,S} {4,S} -2 Cd 0 {1,S} {3,S} {5,D} -3 Cs 0 {2,S} {4,S} -4 CO 0 {3,S} {1,S} -5 Cd 0 {2,D} - -Cyclobutanone -1 * CO 0 {2,S} {4,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {1,S} - -Cyclopentanone -1 * CO 0 {2,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} - -Cyclohexanone -1 * CO 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {1,S} - -Cycloheptanone -1 * CO 0 {2,S} {7,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {1,S} - -Cyclooctanone -1 * CO 0 {2,S} {8,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {1,S} - -Cyclononanone -1 * CO 0 {2,S} {9,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {1,S} - -Cyclodecanone -1 * CO 0 {2,S} {10,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {1,S} - -Cycloundecanone -1 * CO 0 {2,S} {11,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {11,S} -11 Cs 0 {10,S} {1,S} - -Cyclododecanone -1 * CO 0 {2,S} {12,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {11,S} -11 Cs 0 {10,S} {12,S} -12 Cs 0 {11,S} {1,S} - -Cyclo(C15)anone -1 * CO 0 {2,S} {15,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {11,S} -11 Cs 0 {10,S} {12,S} -12 Cs 0 {11,S} {13,S} -13 Cs 0 {12,S} {14,S} -14 Cs 0 {13,S} {15,S} -15 Cs 0 {14,S} {1,S} - -Cyclo(C17)anone -1 * CO 0 {2,S} {17,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {11,S} -11 Cs 0 {10,S} {12,S} -12 Cs 0 {11,S} {13,S} -13 Cs 0 {12,S} {14,S} -14 Cs 0 {13,S} {15,S} -15 Cs 0 {14,S} {16,S} -16 Cs 0 {15,S} {17,S} -17 Cs 0 {16,S} {1,S} - -//////////////Oxygen-containing structures with two rings - - -//////////////Oxygen-containing structures with three rings - diff --git a/output/RMG_database_sulfur/thermo_groups/Ring_Corrections.txt b/output/RMG_database_sulfur/thermo_groups/Ring_Corrections.txt deleted file mode 100644 index f8f3eb2015..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Ring_Corrections.txt +++ /dev/null @@ -1,1433 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// Ring Correction Library -// Joanna Yu -// -// Jing Song: get rid of the dots following the index -// Nov 7, 2002 -///////////////////////////////////////////////////////////////////// - -// Each entry is associated with a number, the name of the ring, its formula, the symmetry, followed by the correction values, -// and in the next line the corresponding adjacency list. -// The atoms that are part of the ring are marked by a * -// Sigma (symmetry) numbers of 0 are values that I put in. - -// Types of bonds present in this list: -// S, D, Dcis, Dtrans, B - -// H in kcal/mol S and Cps is cal/mol K - -// # Ring Formula Sigma H S Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 Note - -//////////// Hydrocarbon rings - -1 Cyclopropane C3R6 6 27.6 32.1 -3.05 -2.53 -2.10 -1.90 -1.77 -1.62 -1.52 "Cyclopropane ring BENSON" -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 * C 0 {1,S} {3,S} {6,S} {7,S} -3 * C 0 {1,S} {2,S} {8,S} {9,S} -4 R 0 {1,S} -5 R 0 {1,S} -6 R 0 {2,S} -7 R 0 {2,S} -8 R 0 {3,S} -9 R 0 {3,S} - -2 Cyclopropene C3R4 2 53.7 33.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclopropene ring BENSON" -1 * C 0 {2,D} {3,S} {4,S} -2 * C 0 {1,D} {3,S} {5,S} -3 * C 0 {1,S} {2,S} {6,S} {7,S} -4 R 0 {1,S} -5 R 0 {2,S} -6 R 0 {3,S} -7 R 0 {3,S} - -3 Methylene_cyclopropane C4R6 0 41.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Methylene cyclopropane ring BENSON" -1 * C 0 {2,S} {3,S} {5,S} {6,S} -2 * C 0 {1,S} {3,S} {7,S} {8,S} -3 * C 0 {1,S} {2,S} {4,D} -4 C 0 {3,D} -5 R 0 {1,S} -6 R 0 {1,S} -7 R 0 {2,S} -8 R 0 {2,S} -9 R 0 {4,S} -10 R 0 {4,S} - -4 Cyclobutane C4R8 8 26.2 29.8 -4.61 -3.89 -3.14 -2.64 -1.88 -1.38 -0.67 "Cyclobutane ring BENSON" -1 * C 0 {2,S} {4,S} {5,S} {6,S} -2 * C 0 {1,S} {3,S} {7,S} {8,S} -3 * C 0 {2,S} {4,S} {9,S} {10,S} -4 * C 0 {1,S} {3,S} {11,S} {12,S} -5 R 0 {1,S} -6 R 0 {1,S} -7 R 0 {2,S} -8 R 0 {2,S} -9 R 0 {3,S} -10 R 0 {3,S} -11 R 0 {4,S} -12 R 0 {4,S} - -5 Cyclobutene C4R6 2 29.8 29.0 -2.53 -2.19 -1.89 -1.68 -1.48 -1.33 -1.22 "Cyclobutene ring BENSON" -1 * C 0 {2,D} {3,S} {5,S} -2 * C 0 {1,D} {3,S} {6,S} -3 * C 0 {2,S} {4,S} {7,S} {8,S} -4 * C 0 {1,S} {3,S} {9,S} {10,S} -5 R 0 {1,S} -6 R 0 {2,S} -7 R 0 {3,S} -8 R 0 {3,S} -9 R 0 {4,S} -10 R 0 {4,S} - -6 Cyclopentane C5R10 10 6.3 27.3 -6.50 -5.5 -4.5 -3.8 -2.8 -1.93 -0.37 "Cyclopentane ring BENSON" -1 * C 0 {2,S} {5,S} {6,S} {7,S} -2 * C 0 {1,S} {3,S} {8,S} {9,S} -3 * C 0 {2,S} {4,S} {10,S} {11,S} -4 * C 0 {3,S} {5,S} {12,S} {13,S} -5 * C 0 {1,S} {4,S} {14,S} {15,S} -6 R 0 {1,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {2,S} -10 R 0 {3,S} -11 R 0 {3,S} -12 R 0 {4,S} -13 R 0 {4,S} -14 R 0 {5,S} -15 R 0 {5,S} - -7 Cyclopentene C5R8 2 5.9 25.8 -5.98 -5.35 -4.89 -4.14 -2.93 -2.26 -1.08 "Cyclopentene ring BENSON" -1 * C 0 {2,D} {5,S} {6,S} -2 * C 0 {1,D} {3,S} {7,S} -3 * C 0 {2,S} {4,S} {8,S} {9,S} -4 * C 0 {3,S} {5,S} {10,S} {11,S} -5 * C 0 {1,S} {4,S} {12,S} {13,S} -6 R 0 {1,S} -7 R 0 {2,S} -8 R 0 {3,S} -9 R 0 {3,S} -10 R 0 {4,S} -11 R 0 {4,S} -12 R 0 {5,S} -13 R 0 {5,S} - -8 Cyclopentadiene C5R6 2 6.0 28.0 -4.3 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclopentadiene ring BENSON" -1 * C 0 {2,D} {5,S} {6,S} -2 * C 0 {1,D} {3,S} {7,S} -3 * C 0 {2,S} {4,D} {8,S} -4 * C 0 {3,D} {5,S} {9,S} -5 * C 0 {1,S} {4,S} {10,S} {11,S} -6 R 0 {1,S} -7 R 0 {2,S} -8 R 0 {3,S} -9 R 0 {4,S} -10 R 0 {5,S} -11 R 0 {5,S} - -9 Cyclohexane C6R12 6 0 18.8 -5.8 -4.1 -2.9 -1.3 1.1 2.2 3.3 "Cyclohexane ring BENSON" -1 * C 0 {2,S} {6,S} {7,S} {8,S} -2 * C 0 {1,S} {3,S} {9,S} {10,S} -3 * C 0 {2,S} {4,S} {11,S} {12,S} -4 * C 0 {3,S} {5,S} {13,S} {14,S} -5 * C 0 {4,S} {6,S} {15,S} {16,S} -6 * C 0 {1,S} {5,S} {17,S} {18,S} -7 R 0 {1,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {3,S} -13 R 0 {4,S} -14 R 0 {4,S} -15 R 0 {5,S} -16 R 0 {5,S} -17 R 0 {6,S} -18 R 0 {6,S} - -10 Cyclohexene C6R10 2 1.4 21.5 -4.28 -3.04 -1.98 -1.43 -0.29 0.08 0.81 "Cyclohexene ring BENSON" -1 * C 0 {2,D} {6,S} {7,S} -2 * C 0 {1,D} {3,S} {8,S} -3 * C 0 {2,S} {4,S} {9,S} {10,S} -4 * C 0 {3,S} {5,S} {11,S} {12,S} -5 * C 0 {4,S} {6,S} {13,S} {14,S} -6 * C 0 {1,S} {5,S} {15,S} {16,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {3,S} -10 R 0 {3,S} -11 R 0 {4,S} -12 R 0 {4,S} -13 R 0 {5,S} -14 R 0 {5,S} -15 R 0 {6,S} -16 R 0 {6,S} - -11 1,3-Cyclohexadiene C6R8 0 4.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3-Cyclohexadiene ring BENSON" -1 * C 0 {2,D} {6,S} {7,S} -2 * C 0 {1,D} {3,S} {8,S} -3 * C 0 {2,S} {4,D} {9,S} -4 * C 0 {3,D} {5,S} {10,S} -5 * C 0 {4,S} {6,S} {11,S} {12,S} -6 * C 0 {1,S} {5,S} {13,S} {14,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {3,S} -10 R 0 {4,S} -11 R 0 {5,S} -12 R 0 {5,S} -13 R 0 {6,S} -14 R 0 {6,S} - -12 1,4-Cyclohexadiene C6R8 0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,4-Cyclohexadiene ring BENSON" -1 * C 0 {2,D} {6,S} {7,S} -2 * C 0 {1,D} {3,S} {8,S} -3 * C 0 {2,S} {4,S} {9,S} {10,S} -4 * C 0 {3,S} {5,D} {11,S} -5 * C 0 {4,D} {6,S} {12,S} -6 * C 0 {1,S} {5,S} {13,S} {14,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {3,S} -10 R 0 {3,S} -11 R 0 {4,S} -12 R 0 {5,S} -13 R 0 {6,S} -14 R 0 {6,S} - -13 Cycloheptane C7R14 1 6.4 15.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cycloheptane ring BENSON" -1 * C 0 {2,S} {7,S} {8,S} {9,S} -2 * C 0 {1,S} {3,S} {10,S} {11,S} -3 * C 0 {2,S} {4,S} {12,S} {13,S} -4 * C 0 {3,S} {5,S} {14,S} {15,S} -5 * C 0 {4,S} {6,S} {16,S} {17,S} -6 * C 0 {5,S} {7,S} {18,S} {19,S} -7 * C 0 {1,S} {6,S} {20,S} {21,S} -8 R 0 {1,S} -9 R 0 {1,S} -10 R 0 {2,S} -11 R 0 {2,S} -12 R 0 {3,S} -13 R 0 {3,S} -14 R 0 {4,S} -15 R 0 {4,S} -16 R 0 {5,S} -17 R 0 {5,S} -18 R 0 {6,S} -19 R 0 {6,S} -20 R 0 {7,S} -21 R 0 {7,S} - -14 Cycloheptene C7R12 0 5.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cycloheptene ring BENSON" -1 * C 0 {2,D} {7,S} {8,S} -2 * C 0 {1,D} {3,S} {9,S} -3 * C 0 {2,S} {4,S} {10,S} {11,S} -4 * C 0 {3,S} {5,S} {12,S} {13,S} -5 * C 0 {4,S} {6,S} {14,S} {15,S} -6 * C 0 {5,S} {7,S} {16,S} {17,S} -7 * C 0 {1,S} {6,S} {18,S} {19,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {3,S} -11 R 0 {3,S} -12 R 0 {4,S} -13 R 0 {4,S} -14 R 0 {5,S} -15 R 0 {5,S} -16 R 0 {6,S} -17 R 0 {6,S} -18 R 0 {7,S} -19 R 0 {7,S} - -15 1,3-Cycloheptadiene C7R10 0 6.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3-Cycloheptadiene ring BENSON" -1 * C 0 {2,D} {7,S} {8,S} -2 * C 0 {1,D} {3,S} {9,S} -3 * C 0 {2,S} {4,D} {10,S} -4 * C 0 {3,D} {5,S} {11,S} -5 * C 0 {4,S} {6,S} {12,S} {13,S} -6 * C 0 {5,S} {7,S} {14,S} {15,S} -7 * C 0 {1,S} {6,S} {16,S} {17,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {3,S} -11 R 0 {4,S} -12 R 0 {5,S} -13 R 0 {5,S} -14 R 0 {6,S} -15 R 0 {6,S} -16 R 0 {7,S} -17 R 0 {7,S} - -16 1,3,5-Cycloheptatriene C7R8 1 4.7 23.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3,5-Cycloheptatriene ring BENSON" -1 * C 0 {2,D} {7,S} {8,S} -2 * C 0 {1,D} {3,S} {9,S} -3 * C 0 {2,S} {4,D} {10,S} -4 * C 0 {3,D} {5,S} {11,S} -5 * C 0 {4,S} {6,D} {12,S} -6 * C 0 {5,D} {7,S} {13,S} -7 * C 0 {1,S} {6,S} {14,S} {15,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {3,S} -11 R 0 {4,S} -12 R 0 {5,S} -13 R 0 {6,S} -14 R 0 {7,S} -15 R 0 {7,S} - -17 Cyclooctane C8R16 8 9.9 16.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclooctane ring BENSON" -1 * C 0 {2,S} {8,S} {9,S} {10,S} -2 * C 0 {1,S} {3,S} {11,S} {12,S} -3 * C 0 {2,S} {4,S} {13,S} {14,S} -4 * C 0 {3,S} {5,S} {15,S} {16,S} -5 * C 0 {4,S} {6,S} {17,S} {18,S} -6 * C 0 {5,S} {7,S} {19,S} {20,S} -7 * C 0 {6,S} {8,S} {21,S} {22,S} -8 * C 0 {1,S} {7,S} {23,S} {24,S} -9 R 0 {1,S} -10 R 0 {1,S} -11 R 0 {2,S} -12 R 0 {2,S} -13 R 0 {3,S} -14 R 0 {3,S} -15 R 0 {4,S} -16 R 0 {4,S} -17 R 0 {5,S} -18 R 0 {5,S} -19 R 0 {6,S} -20 R 0 {6,S} -21 R 0 {7,S} -22 R 0 {7,S} -23 R 0 {8,S} -24 R 0 {8,S} - -18 cis-Cyclooctene C8R14 0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "cis-Cyclooctene ring BENSON" -1 * C 0 {2,Dcis} {8,S} {9,S} -2 * C 0 {1,Dcis} {3,S} {10,S} -3 * C 0 {2,S} {4,S} {11,S} {12,S} -4 * C 0 {3,S} {5,S} {13,S} {14,S} -5 * C 0 {4,S} {6,S} {15,S} {16,S} -6 * C 0 {5,S} {7,S} {17,S} {18,S} -7 * C 0 {6,S} {8,S} {19,S} {20,S} -8 * C 0 {1,S} {7,S} {21,S} {22,S} -9 R 0 {1,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {3,S} -13 R 0 {4,S} -14 R 0 {4,S} -15 R 0 {5,S} -16 R 0 {5,S} -17 R 0 {6,S} -18 R 0 {6,S} -19 R 0 {7,S} -20 R 0 {7,S} -21 R 0 {8,S} -22 R 0 {8,S} - -19 trans-Cyclooctene C8R14 0 15.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "trans-Cyclooctene ring BENSON" -1 * C 0 {2,Dtrans} {8,S} {9,S} -2 * C 0 {1,Dtrans} {3,S} {10,S} -3 * C 0 {2,S} {4,S} {11,S} {12,S} -4 * C 0 {3,S} {5,S} {13,S} {14,S} -5 * C 0 {4,S} {6,S} {15,S} {16,S} -6 * C 0 {5,S} {7,S} {17,S} {18,S} -7 * C 0 {6,S} {8,S} {19,S} {20,S} -8 * C 0 {1,S} {7,S} {21,S} {22,S} -9 R 0 {1,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {3,S} -13 R 0 {4,S} -14 R 0 {4,S} -15 R 0 {5,S} -16 R 0 {5,S} -17 R 0 {6,S} -18 R 0 {6,S} -19 R 0 {7,S} -20 R 0 {7,S} -21 R 0 {8,S} -22 R 0 {8,S} - -20 1,3,5-Cyclooctatriene C8R10 0 8.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3,5-Cyclooctatriene ring BENSON" -1 * C 0 {2,D} {8,S} {9,S} -2 * C 0 {1,D} {3,S} {10,S} -3 * C 0 {2,S} {4,D} {11,S} -4 * C 0 {3,D} {5,S} {12,S} -5 * C 0 {4,S} {6,D} {13,S} -6 * C 0 {5,D} {7,S} {14,S} -7 * C 0 {6,S} {8,S} {15,S} {16,S} -8 * C 0 {1,S} {7,S} {17,S} {18,S} -9 R 0 {1,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {4,S} -13 R 0 {5,S} -14 R 0 {6,S} -15 R 0 {7,S} -16 R 0 {7,S} -17 R 0 {8,S} -18 R 0 {8,S} - -21 Cyclooctatetraene C8R8 0 17.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclooctatetraene ring BENSON" -1 * C 0 {2,D} {8,S} {9,S} -2 * C 0 {1,D} {3,S} {10,S} -3 * C 0 {2,S} {4,D} {11,S} -4 * C 0 {3,D} {5,S} {12,S} -5 * C 0 {4,S} {6,D} {13,S} -6 * C 0 {5,D} {7,S} {14,S} -7 * C 0 {6,S} {8,D} {15,S} -8 * C 0 {1,D} {7,S} {16,S} -9 R 0 {1,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {4,S} -13 R 0 {5,S} -14 R 0 {6,S} -15 R 0 {7,S} -16 R 0 {8,S} - -22 Cyclononane C9R18 0 12.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclononane ring BENSON" -1 * C 0 {2,S} {9,S} {10,S} {11,S} -2 * C 0 {1,S} {3,S} {12,S} {13,S} -3 * C 0 {2,S} {4,S} {14,S} {15,S} -4 * C 0 {3,S} {5,S} {16,S} {17,S} -5 * C 0 {4,S} {6,S} {18,S} {19,S} -6 * C 0 {5,S} {7,S} {20,S} {21,S} -7 * C 0 {6,S} {8,S} {22,S} {23,S} -8 * C 0 {7,S} {9,S} {24,S} {25,S} -9 * C 0 {1,S} {8,S} {26,S} {27,S} -10 R 0 {1,S} -11 R 0 {1,S} -12 R 0 {2,S} -13 R 0 {2,S} -14 R 0 {3,S} -15 R 0 {3,S} -16 R 0 {4,S} -17 R 0 {4,S} -18 R 0 {5,S} -19 R 0 {5,S} -20 R 0 {6,S} -21 R 0 {6,S} -22 R 0 {7,S} -23 R 0 {7,S} -24 R 0 {8,S} -25 R 0 {8,S} -26 R 0 {9,S} -27 R 0 {9,S} - -23 cis-Cyclononene C9R16 0 9.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "cis-Cyclononene ring BENSON" -1 * C 0 {2,Dcis} {9,S} {10,S} -2 * C 0 {1,Dcis} {3,S} {11,S} -3 * C 0 {2,S} {4,S} {12,S} {13,S} -4 * C 0 {3,S} {5,S} {14,S} {15,S} -5 * C 0 {4,S} {6,S} {16,S} {17,S} -6 * C 0 {5,S} {7,S} {18,S} {19,S} -7 * C 0 {6,S} {8,S} {20,S} {21,S} -8 * C 0 {7,S} {9,S} {22,S} {23,S} -9 * C 0 {1,S} {8,S} {24,S} {25,S} -10 R 0 {1,S} -11 R 0 {2,S} -12 R 0 {3,S} -13 R 0 {3,S} -14 R 0 {4,S} -15 R 0 {4,S} -16 R 0 {5,S} -17 R 0 {5,S} -18 R 0 {6,S} -19 R 0 {6,S} -20 R 0 {7,S} -21 R 0 {7,S} -22 R 0 {8,S} -23 R 0 {8,S} -24 R 0 {9,S} -25 R 0 {9,S} - -24 trans-Cyclononene C9R16 0 12.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "trans-Cyclononene ring BENSON" -1 * C 0 {2,Dtrans} {9,S} {10,S} -2 * C 0 {1,Dtrans} {3,S} {11,S} -3 * C 0 {2,S} {4,S} {12,S} {13,S} -4 * C 0 {3,S} {5,S} {14,S} {15,S} -5 * C 0 {4,S} {6,S} {16,S} {17,S} -6 * C 0 {5,S} {7,S} {18,S} {19,S} -7 * C 0 {6,S} {8,S} {20,S} {21,S} -8 * C 0 {7,S} {9,S} {22,S} {23,S} -9 * C 0 {1,S} {8,S} {24,S} {25,S} -10 R 0 {1,S} -11 R 0 {2,S} -12 R 0 {3,S} -13 R 0 {3,S} -14 R 0 {4,S} -15 R 0 {4,S} -16 R 0 {5,S} -17 R 0 {5,S} -18 R 0 {6,S} -19 R 0 {6,S} -20 R 0 {7,S} -21 R 0 {7,S} -22 R 0 {8,S} -23 R 0 {8,S} -24 R 0 {9,S} -25 R 0 {9,S} - -25 Cyclodecane C10R20 0 12.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclodecane ring BENSON" -1 * C 0 {2,S} {10,S} {11,S} {12,S} -2 * C 0 {1,S} {3,S} {12,S} {14,S} -3 * C 0 {2,S} {4,S} {14,S} {16,S} -4 * C 0 {3,S} {5,S} {17,S} {18,S} -5 * C 0 {4,S} {6,S} {19,S} {20,S} -6 * C 0 {5,S} {7,S} {21,S} {22,S} -7 * C 0 {6,S} {8,S} {23,S} {24,S} -8 * C 0 {7,S} {9,S} {25,S} {26,S} -9 * C 0 {8,S} {10,S} {27,S} {28,S} -10 * C 0 {1,S} {9,S} {29,S} {30,S} -11 R 0 {1,S} -12 R 0 {1,S} -13 R 0 {2,S} -14 R 0 {2,S} -15 R 0 {3,S} -16 R 0 {3,S} -17 R 0 {4,S} -18 R 0 {4,S} -19 R 0 {5,S} -20 R 0 {5,S} -21 R 0 {6,S} -22 R 0 {6,S} -23 R 0 {7,S} -24 R 0 {7,S} -25 R 0 {8,S} -26 R 0 {8,S} -27 R 0 {9,S} -28 R 0 {9,S} -29 R 0 {10,S} -30 R 0 {10,S} - -26 Cyclododecane C12R24 0 4.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclododecane ring BENSON" -1 * C 0 {2,S} {12,S} {13,S} {14,S} -2 * C 0 {1,S} {3,S} {15,S} {16,S} -3 * C 0 {2,S} {4,S} {17,S} {18,S} -4 * C 0 {3,S} {5,S} {19,S} {20,S} -5 * C 0 {4,S} {6,S} {21,S} {22,S} -6 * C 0 {5,S} {7,S} {23,S} {24,S} -7 * C 0 {6,S} {8,S} {25,S} {26,S} -8 * C 0 {7,S} {9,S} {27,S} {28,S} -9 * C 0 {8,S} {10,S} {29,S} {30,S} -10 * C 0 {9,S} {11,S} {31,S} {32,S} -11 * C 0 {10,S} {12,S} {33,S} {34,S} -12 * C 0 {1,S} {11,S} {35,S} {36,S} -13 R 0 {1,S} -14 R 0 {1,S} -15 R 0 {2,S} -16 R 0 {2,S} -17 R 0 {3,S} -18 R 0 {3,S} -19 R 0 {4,S} -20 R 0 {4,S} -21 R 0 {5,S} -22 R 0 {5,S} -23 R 0 {6,S} -24 R 0 {6,S} -25 R 0 {7,S} -26 R 0 {7,S} -27 R 0 {8,S} -28 R 0 {8,S} -29 R 0 {9,S} -30 R 0 {9,S} -31 R 0 {10,S} -32 R 0 {10,S} -33 R 0 {11,S} -34 R 0 {11,S} -35 R 0 {12,S} -36 R 0 {12,S} - -//////////////Hydrocarbons with two rings - -27 Spiropentane C5R8 0 4 63.5 67.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Spiropentane ring BENSON" -1 * C 0 {2,S} {3,S} {6,S} {7,S} -2 * C 0 {1,S} {3,S} {8,S} {9,S} -3 * C 0 {1,S} {2,S} {4,S} {5,S} -4 * C 0 {3,S} {5,S} {10,S} {11,S} -5 * C 0 {3,S} {4,S} {12,S} {13,S} -6 R 0 {1,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {2,S} -10 R 0 {4,S} -11 R 0 {4,S} -12 R 0 {5,S} -13 R 0 {5,S} - -28 Bicyclo-(1,1,0)-butane C4H6 2 67.0 69.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Bicyclo-(1,1,0)-butane ring BENSON" -1 * C 0 {2,S} {4,S} {5,S} {6,S} -2 * C 0 {1,S} {3,S} {4,S} {7,S} -3 * C 0 {2,S} {4,S} {8,S} {9,S} -4 * C 0 {1,S} {2,S} {3,S} {10,S} -5 R 0 {1,S} -6 R 0 {1,S} -7 R 0 {2,S} -8 R 0 {3,S} -9 R 0 {3,S} -10 R 0 {4,S} - -29 Bicyclo-(2,1,0)-pentane C5H8 0 55.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Bicyclo-(2,1,0)-pentane ring BENSON" -1 * C 0 {2,S} {5,S} {6,S} {7,S} -2 * C 0 {1,S} {3,S} {5,S} {8,S} -3 * C 0 {2,S} {4,S} {9,S} {10,S} -4 * C 0 {3,S} {5,S} {11,S} {12,S} -5 * C 0 {1,S} {2,S} {4,S} {13,S} -6 R 0 {1,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {3,S} -10 R 0 {3,S} -11 R 0 {4,S} -12 R 0 {4,S} -13 R 0 {5,S} - -30 Bicyclo-(3,1,0)-hexane C6H10 0 32.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Bicyclo-(3,1,0)-hexane ring BENSON" -1 * C 0 {2,S} {6,S} {7,S} {8,S} -2 * C 0 {1,S} {3,S} {6,S} {9,S} -3 * C 0 {2,S} {4,S} {10,S} {11,S} -4 * C 0 {3,S} {5,S} {12,S} {13,S} -5 * C 0 {4,S} {6,S} {14,S} {15,S} -6 * C 0 {1,S} {2,S} {5,S} {16,S} -7 R 0 {1,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {3,S} -11 R 0 {3,S} -12 R 0 {4,S} -13 R 0 {4,S} -14 R 0 {5,S} -15 R 0 {5,S} -16 R 0 {6,S} - -31 2,5-Norbornadiene C7H8 0 31.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "2,5-Norbornadiene (Bicyclo[2.2.1]heptadiene) ring BENSON" -1 * C 0 {2,S} {6,D} {8,S} -2 * C 0 {1,S} {3,S} {7,S} {9,S} -3 * C 0 {2,S} {4,D} {10,S} -4 * C 0 {3,D} {5,S} {11,S} -5 * C 0 {4,S} {6,S} {7,S} {12,S} -6 * C 0 {1,D} {5,S} {13,S} -7 * C 0 {2,S} {5,S} {14,S} {15,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {3,S} -11 R 0 {4,S} -12 R 0 {5,S} -13 R 0 {6,S} -14 R 0 {7,S} -15 R 0 {7,S} - -32 Bicyclo-(4,1,0)-heptane C7H12 0 28.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Bicyclo-(4,1,0)-heptane ring BENSON" -1 * C 0 {2,S} {7,S} {8,S} {9,S} -2 * C 0 {1,S} {3,S} {7,S} {10,S} -3 * C 0 {2,S} {4,S} {11,S} {12,S} -4 * C 0 {3,S} {5,S} {13,S} {14,S} -5 * C 0 {4,S} {6,S} {15,S} {16,S} -6 * C 0 {5,S} {7,S} {17,S} {18,S} -7 * C 0 {1,S} {2,S} {6,S} {19,S} -8 R 0 {1,S} -9 R 0 {1,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {3,S} -13 R 0 {4,S} -14 R 0 {4,S} -15 R 0 {5,S} -16 R 0 {5,S} -17 R 0 {6,S} -18 R 0 {6,S} -19 R 0 {7,S} - -33 Bicyclo-(2,2,1)-heptane C7H12 0 16.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Bicyclo-(2,2,1)-heptane ring BENSON" -1 * C 0 {2,S} {6,S} {7,S} {8,S} -2 * C 0 {1,S} {3,S} {9,S} {10,S} -3 * C 0 {2,S} {4,S} {11,S} {12,S} -4 * C 0 {3,S} {5,S} {7,S} {13,S} -5 * C 0 {4,S} {6,S} {14,S} {15,S} -6 * C 0 {5,S} {1,S} {16,S} {17,S} -7 * C 0 {1,S} {4,S} {18,S} {19,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {3,S} -13 R 0 {4,S} -14 R 0 {5,S} -15 R 0 {5,S} -16 R 0 {6,S} -17 R 0 {6,S} -18 R 0 {7,S} -19 R 0 {7,S} - -34 Bicyclo-(5,1,0)-octane C8H14 0 29.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Bicyclo-(5,1,0)-octane ring BENSON" -1 * C 0 {2,S} {8,S} {9,S} {10,S} -2 * C 0 {1,S} {3,S} {8,S} {11,S} -3 * C 0 {2,S} {4,S} {12,S} {13,S} -4 * C 0 {3,S} {5,S} {14,S} {15,S} -5 * C 0 {4,S} {6,S} {16,S} {17,S} -6 * C 0 {5,S} {7,S} {18,S} {19,S} -7 * C 0 {6,S} {8,S} {20,S} {21,S} -8 * C 0 {1,S} {2,S} {7,S} {22,S} -9 R 0 {1,S} -10 R 0 {1,S} -11 R 0 {2,S} -12 R 0 {3,S} -13 R 0 {3,S} -14 R 0 {4,S} -15 R 0 {4,S} -16 R 0 {5,S} -17 R 0 {5,S} -18 R 0 {6,S} -19 R 0 {6,S} -20 R 0 {7,S} -21 R 0 {7,S} -22 R 0 {8,S} - -35 Bicyclo-(6,1,0)-nonane C9H16 0 31.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Bicyclo-(6,1,0)-nonane ring BENSON" -1 * C 0 {2,S} {9,S} {10,S} {11,S} -2 * C 0 {1,S} {3,S} {9,S} {12,S} -3 * C 0 {2,S} {4,S} {13,S} {14,S} -4 * C 0 {3,S} {5,S} {15,S} {16,S} -5 * C 0 {4,S} {6,S} {17,S} {18,S} -6 * C 0 {5,S} {7,S} {19,S} {20,S} -7 * C 0 {6,S} {8,S} {21,S} {22,S} -8 * C 0 {7,S} {9,S} {23,S} {24,S} -9 * C 0 {1,S} {2,S} {8,S} {25,S} -10 R 0 {1,S} -11 R 0 {1,S} -12 R 0 {2,S} -13 R 0 {3,S} -14 R 0 {3,S} -15 R 0 {4,S} -16 R 0 {4,S} -17 R 0 {5,S} -18 R 0 {5,S} -19 R 0 {6,S} -20 R 0 {6,S} -21 R 0 {7,S} -22 R 0 {7,S} -23 R 0 {8,S} -24 R 0 {8,S} -25 R 0 {9,S} - - -//////////////Hydrocarbons with three rings - -36 Biphenylene C12 0 58.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Biphenylene ring BENSON" -1 * C 0 {2,B} {6,B} -2 * C 0 {1,B} {3,B} -3 * C 0 {2,B} {4,B} -4 * C 0 {3,B} {5,B} -5 * C 0 {4,B} {6,B} {9,S} -6 * C 0 {1,B} {5,B} {8,S} -7 * C 0 {8,B} {12,B} -8 * C 0 {6,S} {7,B} {9,B} -9 * C 0 {5,S} {8,B} {10,B} -10 * C 0 {9,B} {11,B} -11 * C 0 {10,B} {12,B} -12 * C 0 {7,B} {11,B} - -///////////////////////////////////////////////////////////////////////////////// -//////////////Oxygen-containing rings - -37 Ethylene_oxide C2OR4 0 26.9 30.5 -2.0 -2.8 -3.0 -2.6 -2.3 -2.3 -2.3 "Ethylene oxide ring BENSON Cp1500 est. as Cp1000" -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 * C 0 {1,S} {3,S} {6,S} {7,S} -3 * O 0 {1,S} {2,S} -4 R 0 {1,S} -5 R 0 {1,S} -6 R 0 {2,S} -7 R 0 {2,S} - -38 Oxetane C3OR6 0 25.7 27.7 -4.6 -5.0 -4.2 -3.5 -2.5 0.2 0.2 "Oxetane ring BENSON Cp1500 est. as Cp1000" -1 * C 0 {2,S} {4,S} {5,S} {6,S} -2 * C 0 {1,S} {3,S} {7,S} {8,S} -3 * C 0 {2,S} {4,S} {9,S} {10,S} -4 * O 0 {1,S} {3,S} -5 R 0 {1,S} -6 R 0 {1,S} -7 R 0 {2,S} -8 R 0 {2,S} -9 R 0 {3,S} -10 R 0 {3,S} - -39 Tetrahydrofuran C4OR8 0 5.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Tetrahydrofuran ring BENSON" -1 * C 0 {2,S} {5,S} {6,S} {7,S} -2 * C 0 {1,S} {3,S} {8,S} {9,S} -3 * C 0 {2,S} {4,S} {10,S} {11,S} -4 * C 0 {3,S} {5,S} {12,S} {13,S} -5 * O 0 {1,S} {4,S} -6 R 0 {1,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {2,S} -10 R 0 {3,S} -11 R 0 {3,S} -12 R 0 {4,S} -13 R 0 {4,S} - -40 Tetrahydro-2H-pyran C5OR10 0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Tetrahydro-2H-pyran ring BENSON" -1 * C 0 {2,S} {6,S} {7,S} {8,S} -2 * C 0 {1,S} {3,S} {9,S} {10,S} -3 * C 0 {2,S} {4,S} {11,S} {12,S} -4 * C 0 {3,S} {5,S} {13,S} {14,S} -5 * C 0 {4,S} {6,S} {15,S} {16,S} -6 * O 0 {1,S} {5,S} -7 R 0 {1,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {3,S} -13 R 0 {4,S} -14 R 0 {4,S} -15 R 0 {5,S} -16 R 0 {5,S} - -41 1,3-Dioxane C4O2R8 0 0.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3-Dioxane ring BENSON" -1 * C 0 {2,S} {6,S} {7,S} {8,S} -2 * C 0 {1,S} {3,S} {9,S} {10,S} -3 * C 0 {2,S} {4,S} {11,S} {12,S} -4 * O 0 {3,S} {5,S} -5 * C 0 {4,S} {6,S} {13,S} {14,S} -6 O 0 {1,S} {5,S} -7 R 0 {1,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {3,S} -13 R 0 {5,S} -14 R 0 {5,S} - -42 1,4-Dioxane C4O2R8 0 3.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,4-Dioxane ring BENSON" -1 * C 0 {2,S} {6,S} {7,S} {8,S} -2 * C 0 {1,S} {3,S} {9,S} {10,S} -3 * O 0 {2,S} {4,S} -4 * C 0 {3,S} {5,S} {11,S} {12,S} -5 * C 0 {4,S} {6,S} {13,S} {14,S} -6 * O 0 {1,S} {5,S} -7 R 0 {1,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {2,S} -11 R 0 {4,S} -12 R 0 {4,S} -13 R 0 {5,S} -14 R 0 {5,S} - -43 1,3,5-Trioxane C3O3R6 0 6.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3,5-Trioxane ring BENSON" -1 * C 0 {2,S} {6,S} {7,S} {8,S} -2 * O 0 {1,S} {3,S} -3 * C 0 {2,S} {4,S} {9,S} {10,S} -4 * O 0 {3,S} {5,S} -5 * C 0 {4,S} {6,S} {11,S} {12,S} -6 * O 0 {1,S} {5,S} -7 R 0 {1,S} -8 R 0 {1,S} -9 R 0 {3,S} -10 R 0 {3,S} -11 R 0 {5,S} -12 R 0 {5,S} - -44 2,3-Dihydrofuran C4OR6 0 4.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "2,3-Dihydrofuran ring BENSON" -1 * C 0 {2,S} {5,S} {6,S} {7,S} -2 * C 0 {1,S} {3,S} {8,S} {9,S} -3 * C 0 {2,S} {4,D} {10,S} -4 * C 0 {3,D} {5,S} {11,S} -5 * O 0 {1,S} {4,S} -6 R 0 {1,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {2,S} -10 R 0 {3,S} -11 R 0 {4,S} - -45 1,3-Dioxolane C3O2R6 0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3-Dioxolane ring BENSON" -1 * C 0 {2,S} {5,S} {6,S} {7,S} -2 * C 0 {1,S} {3,S} {8,S} {9,S} -3 * O 0 {2,S} {4,S} -4 * C 0 {3,S} {5,S} {10,S} {11,S} -5 * O 0 {1,S} {4,S} -6 R 0 {1,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {2,S} -10 R 0 {4,S} -11 R 0 {4,S} - -46 Furan C4OR4 0 -5.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Furan ring BENSON" -1 * C 0 {2,D} {5,S} {6,S} -2 * C 0 {1,D} {3,S} {7,S} -3 * C 0 {2,S} {4,D} {8,S} -4 * C 0 {3,D} {5,S} {9,S} -5 * O 0 {1,S} {4,S} -6 R 0 {1,S} -7 R 0 {2,S} -8 R 0 {3,S} -9 R 0 {4,S} - -47 3,4-Dihydro-2H-pyran C5OR8 0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "3,4-Dihydro-2H-pyran ring BENSON" -1 * C 0 {2,S} {6,S} {7,S} {8,S} -2 * C 0 {1,S} {3,S} {9,S} {10,S} -3 * C 0 {2,S} {4,S} {11,S} {12,S} -4 * C 0 {3,S} {5,D} {13,S} -5 * C 0 {4,D} {6,S} {14,S} -6 * O 0 {1,S} {5,S} -7 R 0 {1,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {3,S} -13 R 0 {4,S} -14 R 0 {5,S} - -48 Dihydro-2,5-furandione C4O3R4 0 4.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Dihydro-2,5-furandione ring BENSON" -1 * C 0 {2,S} {5,S} {6,S} {7,S} -2 * C 0 {1,S} {3,S} {8,S} {9,S} -3 * C 0 {2,S} {4,S} {10,D} -4 * O 0 {3,S} {5,S} -5 * C 0 {1,S} {4,S} {11,D} -6 R 0 {1,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {2,S} -10 O 0 {3,D} -11 O 0 {5,D} - -49 Pentanedioic_anhydride C4O3R6 0 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Pentanedioic anhydride ring BENSON" -1 * C 0 {2,S} {6,S} {7,S} {8,S} -2 * C 0 {1,S} {3,S} {9,S} {10,S} -3 * C 0 {2,S} {4,S} {11,S} {12,S} -4 * C 0 {3,S} {5,S} {13,D} -5 * O 0 {4,S} {6,S} -6 * C 0 {1,S} {5,S} {14,D} -7 R 0 {1,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {3,S} -13 O 0 {4,D} -14 O 0 {6,D} - -50 2,5-Furandione C4O3R2 0 3.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "2,5-Furandione ring BENSON" -1 * C 0 {2,D} {5,S} {6,S} -2 * C 0 {1,D} {3,S} {7,S} -3 * C 0 {2,S} {4,S} {8,D} -4 * O 0 {3,S} {5,S} -5 * C 0 {1,S} {4,S} {9,D} -6 R 0 {1,S} -7 R 0 {1,S} -8 O 0 {3,D} -9 O 0 {5,D} - -51 Beta-Propiolactone C3O2R4 0 23.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Beta-Propiolactone ring BENSON" -1 * C 0 {2,S} {4,S} {5,S} {6,S} -2 * C 0 {1,S} {3,S} {7,S} {8,S} -3 * C 0 {2,S} {4,S} {9,D} -4 * O 0 {1,S} {3,S} -5 R 0 {1,S} -6 R 0 {1,S} -7 R 0 {2,S} -8 R 0 {2,S} -9 O 0 {3,D} - -52 4-Methylene-2-oxetanone C4O2R4 0 22.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "4-Methylene-2-oxetanone ring BENSON" -1 * C 0 {2,S} {4,S} {5,D} -2 * C 0 {1,S} {3,S} {6,S} {7,S} -3 * C 0 {2,S} {4,S} {8,D} -4 * O 0 {1,S} {3,S} -5 C 0 {1,D} {9,S} {10,S} -6 R 0 {2,S} -7 R 0 {2,S} -8 O 0 {3,D} -9 R 0 {5,S} -10 R 0 {6,S} - -53 Cyclobutanone C4OR6 0 22.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclobutanone ring BENSON" -1 * C 0 {2,S} {4,S} {5,S} {6,S} -2 * C 0 {1,S} {3,S} {7,S} {8,S} -3 * C 0 {2,S} {4,S} {9,S} {10,S} -4 * C 0 {1,S} {3,S} {11,D} -5 R 0 {1,S} -6 R 0 {1,S} -7 R 0 {2,S} -8 R 0 {2,S} -9 R 0 {3,S} -10 R 0 {3,S} -11 O 0 {4,D} - -54 Cyclopentanone C5OR8 0 5.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclopentanone ring BENSON" -1 * C 0 {2,S} {5,S} {6,S} {7,S} -2 * C 0 {1,S} {3,S} {8,S} {9,S} -3 * C 0 {2,S} {4,S} {10,S} {11,S} -4 * C 0 {3,S} {5,S} {12,S} {13,S} -5 * C 0 {1,S} {4,S} {14,D} -6 R 0 {1,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {2,S} -10 R 0 {3,S} -11 R 0 {3,S} -12 R 0 {4,S} -13 R 0 {4,S} -14 O 0 {5,D} - -55 Cyclohexanone C6OR10 0 2.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclohexanone ring BENSON" -1 * C 0 {2,S} {6,S} {7,S} {8,S} -2 * C 0 {1,S} {3,S} {9,S} {10,S} -3 * C 0 {2,S} {4,S} {11,S} {12,S} -4 * C 0 {3,S} {5,S} {13,S} {14,S} -5 * C 0 {4,S} {6,S} {15,S} {16,S} -6 * C 0 {1,S} {5,S} {17,D} -7 R 0 {1,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {3,S} -13 R 0 {4,S} -14 R 0 {4,S} -15 R 0 {5,S} -16 R 0 {5,S} -17 O 0 {6,D} - -56 Cycloheptanone C7OR12 0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cycloheptanone ring BENSON" -1 * C 0 {2,S} {7,S} {8,S} {9,S} -2 * C 0 {1,S} {3,S} {10,S} {11,S} -3 * C 0 {2,S} {4,S} {12,S} {13,S} -4 * C 0 {3,S} {5,S} {14,S} {15,S} -5 * C 0 {4,S} {6,S} {16,S} {17,S} -6 * C 0 {5,S} {7,S} {18,S} {19,S} -7 * C 0 {1,S} {6,S} {20,D} -8 R 0 {1,S} -9 R 0 {1,S} -10 R 0 {2,S} -11 R 0 {2,S} -12 R 0 {3,S} -13 R 0 {3,S} -14 R 0 {4,S} -15 R 0 {4,S} -16 R 0 {5,S} -17 R 0 {5,S} -18 R 0 {6,S} -19 R 0 {6,S} -20 O 0 {7,D} - -57 Cyclooctanone C8OR14 0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclooctanone ring BENSON" -1 * C 0 {2,S} {8,S} {9,S} {10,S} -2 * C 0 {1,S} {3,S} {11,S} {12,S} -3 * C 0 {2,S} {4,S} {13,S} {14,S} -4 * C 0 {3,S} {5,S} {15,S} {16,S} -5 * C 0 {4,S} {6,S} {17,S} {18,S} -6 * C 0 {5,S} {7,S} {19,S} {20,S} -7 * C 0 {6,S} {8,S} {21,S} {22,S} -8 * C 0 {1,S} {7,S} {23,D} -9 R 0 {1,S} -10 R 0 {1,S} -11 R 0 {2,S} -12 R 0 {2,S} -13 R 0 {3,S} -14 R 0 {3,S} -15 R 0 {4,S} -16 R 0 {4,S} -17 R 0 {5,S} -18 R 0 {5,S} -19 R 0 {6,S} -20 R 0 {6,S} -21 R 0 {7,S} -22 R 0 {7,S} -23 O 0 {8,D} - -58 Cyclononanone C9OR16 0 4.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclononanone ring BENSON" -1 * C 0 {2,S} {9,S} {10,S} {11,S} -2 * C 0 {1,S} {3,S} {12,S} {13,S} -3 * C 0 {2,S} {4,S} {14,S} {15,S} -4 * C 0 {3,S} {5,S} {16,S} {17,S} -5 * C 0 {4,S} {6,S} {18,S} {19,S} -6 * C 0 {5,S} {7,S} {20,S} {21,S} -7 * C 0 {6,S} {8,S} {22,S} {23,S} -8 * C 0 {7,S} {9,S} {24,S} {25,S} -9 * C 0 {1,S} {8,S} {26,D} -10 R 0 {1,S} -11 R 0 {1,S} -12 R 0 {2,S} -13 R 0 {2,S} -14 R 0 {3,S} -15 R 0 {3,S} -16 R 0 {4,S} -17 R 0 {4,S} -18 R 0 {5,S} -19 R 0 {5,S} -20 R 0 {6,S} -21 R 0 {6,S} -22 R 0 {7,S} -23 R 0 {7,S} -24 R 0 {8,S} -25 R 0 {8,S} -26 O 0 {9,D} - -59 Cyclodecanone C10OR18 0 3.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclodecanone ring BENSON" -1 * C 0 {2,S} {10,S} {11,S} {12,S} -2 * C 0 {1,S} {3,S} {12,S} {14,S} -3 * C 0 {2,S} {4,S} {14,S} {16,S} -4 * C 0 {3,S} {5,S} {17,S} {18,S} -5 * C 0 {4,S} {6,S} {19,S} {20,S} -6 * C 0 {5,S} {7,S} {21,S} {22,S} -7 * C 0 {6,S} {8,S} {23,S} {24,S} -8 * C 0 {7,S} {9,S} {25,S} {26,S} -9 * C 0 {8,S} {10,S} {27,S} {28,S} -10 * C 0 {1,S} {9,S} {29,D} -11 R 0 {1,S} -12 R 0 {1,S} -13 R 0 {2,S} -14 R 0 {2,S} -15 R 0 {3,S} -16 R 0 {3,S} -17 R 0 {4,S} -18 R 0 {4,S} -19 R 0 {5,S} -20 R 0 {5,S} -21 R 0 {6,S} -22 R 0 {6,S} -23 R 0 {7,S} -24 R 0 {7,S} -25 R 0 {8,S} -26 R 0 {8,S} -27 R 0 {9,S} -28 R 0 {9,S} -29 O 0 {10,D} - -60 Cycloundecanone C11OR20 0 4.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cycloundecanone ring BENSON" -1 * C 0 {2,S} {11,S} {12,S} {13,S} -2 * C 0 {1,S} {3,S} {14,S} {15,S} -3 * C 0 {2,S} {4,S} {16,S} {17,S} -4 * C 0 {3,S} {5,S} {18,S} {19,S} -5 * C 0 {4,S} {6,S} {20,S} {21,S} -6 * C 0 {5,S} {7,S} {22,S} {23,S} -7 * C 0 {6,S} {8,S} {24,S} {25,S} -8 * C 0 {7,S} {9,S} {26,S} {27,S} -9 * C 0 {8,S} {10,S} {28,S} {29,S} -10 * C 0 {9,S} {11,S} {30,S} {31,S} -11 * C 0 {10,S} {12,S} {32,D} -12 R 0 {1,S} -13 R 0 {1,S} -14 R 0 {2,S} -15 R 0 {2,S} -16 R 0 {3,S} -17 R 0 {3,S} -18 R 0 {4,S} -19 R 0 {4,S} -20 R 0 {5,S} -21 R 0 {5,S} -22 R 0 {6,S} -23 R 0 {6,S} -24 R 0 {7,S} -25 R 0 {7,S} -26 R 0 {8,S} -27 R 0 {8,S} -28 R 0 {9,S} -29 R 0 {9,S} -30 R 0 {10,S} -31 R 0 {10,S} -32 O 0 {11,D} - -61 Cyclododecanone C12OR22 0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclododecanone ring BENSON" -1 * C 0 {2,S} {12,S} {13,S} {14,S} -2 * C 0 {1,S} {3,S} {15,S} {16,S} -3 * C 0 {2,S} {4,S} {17,S} {18,S} -4 * C 0 {3,S} {5,S} {19,S} {20,S} -5 * C 0 {4,S} {6,S} {21,S} {22,S} -6 * C 0 {5,S} {7,S} {23,S} {24,S} -7 * C 0 {6,S} {8,S} {25,S} {26,S} -8 * C 0 {7,S} {9,S} {27,S} {28,S} -9 * C 0 {8,S} {10,S} {29,S} {30,S} -10 * C 0 {9,S} {11,S} {31,S} {32,S} -11 * C 0 {10,S} {12,S} {33,S} {34,S} -12 * C 0 {1,S} {11,S} {35,D} -13 R 0 {1,S} -14 R 0 {1,S} -15 R 0 {2,S} -16 R 0 {2,S} -17 R 0 {3,S} -18 R 0 {3,S} -19 R 0 {4,S} -20 R 0 {4,S} -21 R 0 {5,S} -22 R 0 {5,S} -23 R 0 {6,S} -24 R 0 {6,S} -25 R 0 {7,S} -26 R 0 {7,S} -27 R 0 {8,S} -28 R 0 {8,S} -29 R 0 {9,S} -30 R 0 {9,S} -31 R 0 {10,S} -32 R 0 {10,S} -33 R 0 {11,S} -34 R 0 {11,S} -35 O 0 {12,D} - -62 Cyclo(C15)anone C15OR28 0 2.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclo(C15)anone ring BENSON" -1 * C 0 {2,S} {15,S} {16,S} {17,S} -2 * C 0 {1,S} {3,S} {18,S} {19,S} -3 * C 0 {2,S} {4,S} {20,S} {21,S} -4 * C 0 {3,S} {5,S} {22,S} {23,S} -5 * C 0 {4,S} {6,S} {24,S} {25,S} -6 * C 0 {5,S} {7,S} {26,S} {27,S} -7 * C 0 {6,S} {8,S} {28,S} {29,S} -8 * C 0 {7,S} {9,S} {30,S} {31,S} -9 * C 0 {8,S} {10,S} {32,S} {33,S} -10 * C 0 {9,S} {11,S} {34,S} {35,S} -11 * C 0 {10,S} {12,S} {36,S} {37,S} -12 * C 0 {11,S} {13,S} {38,S} {39,S} -13 * C 0 {12,S} {14,S} {40,S} {41,S} -14 * C 0 {13,S} {15,S} {42,S} {43,S} -15 * C 0 {1,S} {14,S} {44,D} -16 R 0 {1,S} -17 R 0 {1,S} -18 R 0 {2,S} -19 R 0 {2,S} -20 R 0 {3,S} -21 R 0 {3,S} -22 R 0 {4,S} -23 R 0 {4,S} -24 R 0 {5,S} -25 R 0 {5,S} -26 R 0 {6,S} -27 R 0 {6,S} -28 R 0 {7,S} -29 R 0 {7,S} -30 R 0 {8,S} -31 R 0 {8,S} -32 R 0 {9,S} -33 R 0 {9,S} -34 R 0 {10,S} -35 R 0 {10,S} -36 R 0 {11,S} -37 R 0 {11,S} -38 R 0 {12,S} -39 R 0 {12,S} -40 R 0 {13,S} -41 R 0 {13,S} -42 R 0 {14,S} -43 R 0 {14,S} -44 O 0 {15,D} - -63 Cyclo(C17)anone C17OR32 0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclo(C17)anone ring BENSON" -1 * C 0 {2,S} {17,S} {18,S} {19,S} -2 * C 0 {1,S} {3,S} {20,S} {21,S} -3 * C 0 {2,S} {4,S} {22,S} {23,S} -4 * C 0 {3,S} {5,S} {24,S} {25,S} -5 * C 0 {4,S} {6,S} {26,S} {27,S} -6 * C 0 {5,S} {7,S} {28,S} {29,S} -7 * C 0 {6,S} {8,S} {30,S} {31,S} -8 * C 0 {7,S} {9,S} {32,S} {33,S} -9 * C 0 {8,S} {10,S} {34,S} {35,S} -10 * C 0 {9,S} {11,S} {36,S} {37,S} -11 * C 0 {10,S} {12,S} {38,S} {39,S} -12 * C 0 {11,S} {13,S} {40,S} {41,S} -13 * C 0 {12,S} {14,S} {42,S} {43,S} -14 * C 0 {13,S} {15,S} {44,S} {45,S} -15 * C 0 {14,S} {16,S} {46,S} {47,S} -16 * C 0 {15,S} {17,S} {48,S} {49,S} -17 * C 0 {1,S} {16,S} {50,D} -18 R 0 {1,S} -19 R 0 {1,S} -20 R 0 {2,S} -21 R 0 {2,S} -22 R 0 {3,S} -23 R 0 {3,S} -24 R 0 {4,S} -25 R 0 {4,S} -26 R 0 {5,S} -27 R 0 {5,S} -28 R 0 {6,S} -29 R 0 {6,S} -30 R 0 {7,S} -31 R 0 {7,S} -32 R 0 {8,S} -33 R 0 {8,S} -34 R 0 {9,S} -35 R 0 {9,S} -36 R 0 {10,S} -37 R 0 {10,S} -38 R 0 {11,S} -39 R 0 {11,S} -40 R 0 {12,S} -41 R 0 {12,S} -42 R 0 {13,S} -43 R 0 {13,S} -44 R 0 {14,S} -45 R 0 {14,S} -46 R 0 {15,S} -47 R 0 {15,S} -48 R 0 {16,S} -49 R 0 {16,S} -50 O 0 {17,D} - -//////////////Oxygen-containing structures with two rings - -64 1,3-Benzodioxole C7O2R6 0 16.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3-Benzodioxole ring BENSON" -1 * C 0 {2,B} {6,B} {10,S} -2 * C 0 {1,B} {3,B} {11,S} -3 * C 0 {2,B} {4,B} {12,S} -4 * C 0 {3,B} {5,B} {13,S} -5 * C 0 {4,B} {6,B} {9,S} -6 * C 0 {1,B} {5,B} {7,S} -7 O 0 {6,S} {8,S} -8 * C 0 {7,S} {9,S} {14,S} {15,S} -9 O 0 {5,S} {8,S} -10 R 0 {1,S} -11 R 0 {2,S} -12 R 0 {3,S} -13 R 0 {4,S} -14 R 0 {8,S} -15 R 0 {8,S} - -65 1,4-Dioxatetralin C8O2R8 0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,4-Dioxatetralin ring BENSON" -1 * C 0 {2,B} {6,B} {11,S} -2 * C 0 {1,B} {3,B} {12,S} -3 * C 0 {2,B} {4,B} {13,S} -4 * C 0 {3,B} {5,B} {14,S} -5 * C 0 {4,B} {6,B} {10,S} -6 * C 0 {1,B} {5,B} {7,S} -7 * O 0 {6,S} {8,S} -8 * C 0 {7,S} {9,S} {15,S} {16,S} -9 * C 0 {8,S} {10,S} {17,S} {18,S} -10 * O 0 {5,S} {9,S} -11 R 0 {1,S} -12 R 0 {2,S} -13 R 0 {3,S} -14 R 0 {4,S} -15 R 0 {8,S} -16 R 0 {8,S} -17 R 0 {9,S} -18 R 0 {9,S} - -66 trans-Bicyclo[4.4.0]-3-decanone C10OR16 0 20.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "trans-Bicyclo[4.4.0]-3-decanone ring BENSON" -1 * C 0 {2,S} {6,S} {11,S} {12,S} -2 * C 0 {1,S} {3,S} {13,S} {14,S} -3 * C 0 {2,S} {4,S} {15,S} {16,S} -4 * C 0 {3,S} {5,S} {17,S} {18,S} -5 * C 0 {4,S} {6,S} {10,S} {19,S} -6 * C 0 {1,S} {5,S} {7,S} {20,S} -7 * C 0 {6,S} {8,S} {21,S} {22,S} -8 * C 0 {7,S} {9,S} {23,Dtrans} -9 * C 0 {8,S} {10,S} {24,S} {25,S} -10 * C 0 {5,S} {9,S} {26,S} {27,S} -11 R 0 {1,S} -12 R 0 {1,S} -13 R 0 {2,S} -14 R 0 {2,S} -15 R 0 {3,S} -16 R 0 {3,S} -17 R 0 {4,S} -18 R 0 {4,S} -19 R 0 {5,S} -20 R 0 {6,S} -21 R 0 {7,S} -22 R 0 {7,S} -23 O 0 {8,Dtrans} -24 R 0 {9,S} -25 R 0 {9,S} -26 R 0 {10,S} -27 R 0 {10,S} - -67 cis-Bicyclo[4.4.0]-3-decanone C10OR16 0 15.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "cis-Bicyclo[4.4.0]-3-decanone ring BENSON" -1 * C 0 {2,S} {6,S} {11,S} {12,S} -2 * C 0 {1,S} {3,S} {13,S} {14,S} -3 * C 0 {2,S} {4,S} {15,S} {16,S} -4 * C 0 {3,S} {5,S} {17,S} {18,S} -5 * C 0 {4,S} {6,S} {10,S} {19,S} -6 * C 0 {1,S} {5,S} {7,S} {20,S} -7 * C 0 {6,S} {8,S} {21,S} {22,S} -8 * C 0 {7,S} {9,S} {23,Dcis} -9 * C 0 {8,S} {10,S} {24,S} {25,S} -10 * C 0 {5,S} {9,S} {26,S} {27,S} -11 R 0 {1,S} -12 R 0 {1,S} -13 R 0 {2,S} -14 R 0 {2,S} -15 R 0 {3,S} -16 R 0 {3,S} -17 R 0 {4,S} -18 R 0 {4,S} -19 R 0 {5,S} -20 R 0 {6,S} -21 R 0 {7,S} -22 R 0 {7,S} -23 O 0 {8,Dcis} -24 R 0 {9,S} -25 R 0 {9,S} -26 R 0 {10,S} -27 R 0 {10,S} - -//////////////Oxygen-containing structures with three rings - -68 Xantene C13OR10 0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Xanthene ring BENSON" -1 * C 0 {2,B} {6,B} {15,S} -2 * C 0 {1,B} {3,B} {16,S} -3 * C 0 {2,B} {4,B} {17,S} -4 * C 0 {3,B} {5,B} {18,S} -5 * C 0 {4,B} {6,B} {10,S} -6 * C 0 {1,B} {5,B} {7,S} -7 * C 0 {6,S} {8,S} {19,S} {20,S} -8 * C 0 {7,S} {9,B} {11,B} -9 * C 0 {8,B} {10,S} {14,B} -10 * O 0 {5,S} {9,S} -11 * C 0 {8,B} {12,B} {21,S} -12 * C 0 {11,B} {13,B} {22,S} -13 * C 0 {12,B} {14,B} {23,S} -14 * C 0 {9,B} {13,B} {24,S} -15 R 0 {1,S} -16 R 0 {2,S} -17 R 0 {3,S} -18 R 0 {4,S} -19 R 0 {7,S} -20 R 0 {7,S} -21 R 0 {11,S} -22 R 0 {12,S} -23 R 0 {13,S} -24 R 0 {14,S} - -69 Dodecahydrodibenzo[b,d]furan C12OR20 0 11.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Dodecahydrodibenzo[b,d]furan ring BENSON" -1 * C 0 {2,S} {6,S} {14,S} {15,S} -2 * C 0 {1,S} {3,S} {16,S} {17,S} -3 * C 0 {2,S} {4,S} {18,S} {19,S} -4 * C 0 {3,S} {5,S} {20,S} {21,S} -5 * C 0 {4,S} {6,S} {9,S} {22,S} -6 * C 0 {1,S} {5,S} {7,S} {23,S} -7 * C 0 {6,S} {8,S} {10,S} {24,S} -8 * C 0 {7,S} {9,S} {13,S} {25,S} -9 * O 0 {5,S} {8,S} -10 * C 0 {7,S} {11,S} {26,S} {27,S} -11 * C 0 {10,S} {12,S} {28,S} {29,S} -12 * C 0 {11,S} {13,S} {30,S} {31,S} -13 * C 0 {8,S} {12,S} {32,S} {33,S} -14 R 0 {1,S} -15 R 0 {1,S} -16 R 0 {2,S} -17 R 0 {2,S} -18 R 0 {3,S} -19 R 0 {3,S} -20 R 0 {4,S} -21 R 0 {4,S} -22 R 0 {5,S} -23 R 0 {6,S} -24 R 0 {7,S} -25 R 0 {8,S} -26 R 0 {10,S} -27 R 0 {10,S} -28 R 0 {11,S} -29 R 0 {11,S} -30 R 0 {12,S} -31 R 0 {12,S} -32 R 0 {13,S} -33 R 0 {13,S} - - - diff --git a/output/RMG_database_sulfur/thermo_groups/Ring_Dictionary.txt b/output/RMG_database_sulfur/thermo_groups/Ring_Dictionary.txt deleted file mode 100644 index 4d2b935ded..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Ring_Dictionary.txt +++ /dev/null @@ -1,1325 +0,0 @@ -///////////////////////////////////////////////////////////// -// -// Paul Yelvington, June 10, 2004 -// Changed R,C to Cs,Cd,etc. Made only one reactive center -// per ring correction. No multiple rings. -// Jing Song, Feb, 17, 2004 -// change the original Ring_Correction.txt into -// Ring_Dictionary.txt, Ring_Tree.txt, and Ring_Library.txt -// To be consistent with other thermo databases -// -///////////////////////////////////////////////////////////// - - -// Maleic anhydride is not included. - -//////////// Generic ring groups - -Ring -1 * R 0 - -ThreeMember -1 * {R!H} 0 {2,{S,D}} {3,{S,D}} -2 {R!H} 0 {1,{S,D}} {3,{S,D}} -3 {R!H} 0 {2,{S,D}} {1,{S,D}} - -FourMember -1 * {R!H} 0 {2,{S,D}} {4,{S,D}} -2 {R!H} 0 {1,{S,D}} {3,{S,D}} -3 {R!H} 0 {2,{S,D}} {4,{S,D}} -4 {R!H} 0 {3,{S,D}} {1,{S,D}} - -FiveMember -1 * {R!H} 0 {2,{S,D}} {5,{S,D}} -2 {R!H} 0 {1,{S,D}} {3,{S,D}} -3 {R!H} 0 {2,{S,D}} {4,{S,D}} -4 {R!H} 0 {3,{S,D}} {5,{S,D}} -5 {R!H} 0 {4,{S,D}} {1,{S,D}} - -SixMember -1 * {R!H} 0 {2,{S,D}} {6,{S,D}} -2 {R!H} 0 {1,{S,D}} {3,{S,D}} -3 {R!H} 0 {2,{S,D}} {4,{S,D}} -4 {R!H} 0 {3,{S,D}} {5,{S,D}} -5 {R!H} 0 {4,{S,D}} {6,{S,D}} -6 {R!H} 0 {5,{S,D}} {1,{S,D}} - -sixnosidedouble -1 * {Cs,Os} 0 {2,S} {6,S} -2 {Cs,Os} 0 {1,S} {3,S} -3 {Cs,Os} 0 {2,S} {4,S} -4 {Cs,Os} 0 {3,S} {5,S} -5 {Cs,Os} 0 {4,S} {6,S} -6 {Cs,Os} 0 {5,S} {1,S} - -Oxane -1 * Cs 0 {2,S} {6,S} -2 Os 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {1,S} - - -six-sidedoubles -1 {C,O} 0 {2,S} {6,S} -2 * {Cd,CO} 0 {1,S} {3,S} -3 {C,O} 0 {2,S} {4,S} -4 {C,O} 0 {3,S} {5,S} -5 {C,O} 0 {4,S} {6,S} -6 {C,O} 0 {5,S} {1,S} - - -six-onesidedouble -1 {Cs,Os} 0 {2,S} {6,S} -2 * {Cd,CO} 0 {1,S} {3,S} -3 {Cs,Os} 0 {2,S} {4,S} -4 {Cs,Os} 0 {3,S} {5,S} -5 {Cs,Os} 0 {4,S} {6,S} -6 {Cs,Os} 0 {5,S} {1,S} - - -sixmembd-allsingles-twosidedoubles-ortho -1 {Cs,Os} 0 {2,S} {6,S} -2 * {Cd,CO} 0 {1,S} {3,S} -3 {Cd,CO} 0 {2,S} {4,S} -4 {Cs,Os} 0 {3,S} {5,S} -5 {Cs,Os} 0 {4,S} {6,S} -6 {Cs,Os} 0 {5,S} {1,S} - -sixmembd-allsingles-twosidedoubles-meta -1 {Cs,Os} 0 {2,S} {6,S} -2 * {Cd,CO} 0 {1,S} {3,S} -3 {Cs,Os} 0 {2,S} {4,S} -4 {Cd,CO} 0 {3,S} {5,S} -5 {Cs,Os} 0 {4,S} {6,S} -6 {Cs,Os} 0 {5,S} {1,S} - -sixmembd-allsingles-twosidedoubles-para -1 {Cs,Os} 0 {2,S} {6,S} -2 * {Cd,CO} 0 {1,S} {3,S} -3 {Cs,Os} 0 {2,S} {4,S} -4 {Cs,Os} 0 {3,S} {5,S} -5 {Cd,CO} 0 {4,S} {6,S} -6 {Cs,Os} 0 {5,S} {1,S} - -six-inringonedouble -1 {Cs,Os} 0 {2,S} {6,S} -2 * Cd 0 {1,S} {3,D} -3 Cd 0 {2,D} {4,S} -4 {Cs,Os} 0 {3,S} {5,S} -5 {Cs,Os} 0 {4,S} {6,S} -6 {Cs,Os} 0 {5,S} {1,S} - - - - -24dihydro13dioxin -1 Cd 0 {6,S} {2,D} -2 * Cd 0 {3,S} {1,D} -3 Cs 0 {4,S} {2,S} -4 Os 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Os 0 {5,S} {1,S} - -23dihydro14dioxin -1 Cd 0 {6,S} {2,D} -2 * Cd 0 {3,S} {1,D} -3 Os 0 {4,S} {2,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Os 0 {5,S} {1,S} - - -six-inringtwodouble-13 -1 {Cs,Os} 0 {2,S} {6,S} -2 * Cd 0 {1,S} {3,D} -3 Cd 0 {2,D} {4,S} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {4,D} {6,S} -6 {Cs,Os} 0 {5,S} {1,S} - -six-inringtwodouble-14 -1 {Cs,Os} 0 {2,S} {6,S} -2 * Cd 0 {1,S} {3,D} -3 Cd 0 {2,D} {4,S} -4 {Cs,Os} 0 {3,S} {5,S} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {5,D} {1,S} - -six-inringtwodouble-12 -1 {Cs,Os} 0 {2,S} {6,S} -2 * Cd 0 {1,S} {3,D} -3 C 0 {2,D} {4,D} -4 Cd 0 {3,D} {5,S} -5 {Cs,Os} 0 {4,S} {6,S} -6 {Cs,Os} 0 {5,S} {1,S} - - -six-oneside-twoindoubles-25 -1 {Cs,Os} 0 {2,S} {6,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {2,D} {4,S} -4 * {Cd,CO} 0 {3,S} {5,S} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {5,D} {1,S} - -six-oneside-twoindoubles-24 -1 {Cs,Os} 0 {2,S} {6,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {2,D} {4,S} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {4,D} {6,S} -6 * {Cd,CO} 0 {5,S} {1,S} - -six-twoin13-twoout -1 {CO,Cd} 0 {2,S} {6,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {2,D} {4,S} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {4,D} {6,S} -6 * {Cd,CO} 0 {5,S} {1,S} - -six-twoin14-twoout -1 {Cd,Od} 0 {2,S} {6,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {2,D} {4,S} -4 * {Cd,CO} 0 {3,S} {5,S} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {5,D} {1,S} - -SevenMember -1 * {R!H} 0 {2,{S,D}} {7,{S,D}} -2 {R!H} 0 {1,{S,D}} {3,{S,D}} -3 {R!H} 0 {2,{S,D}} {4,{S,D}} -4 {R!H} 0 {3,{S,D}} {5,{S,D}} -5 {R!H} 0 {4,{S,D}} {6,{S,D}} -6 {R!H} 0 {5,{S,D}} {7,{S,D}} -7 {R!H} 0 {6,{S,D}} {1,{S,D}} - -EightMember -1 * {R!H} 0 {2,{S,D}} {8,{S,D}} -2 {R!H} 0 {1,{S,D}} {3,{S,D}} -3 {R!H} 0 {2,{S,D}} {4,{S,D}} -4 {R!H} 0 {3,{S,D}} {5,{S,D}} -5 {R!H} 0 {4,{S,D}} {6,{S,D}} -6 {R!H} 0 {5,{S,D}} {7,{S,D}} -7 {R!H} 0 {6,{S,D}} {8,{S,D}} -8 {R!H} 0 {7,{S,D}} {1,{S,D}} - -NineMember -1 * {R!H} 0 {2,{S,D}} {9,{S,D}} -2 {R!H} 0 {1,{S,D}} {3,{S,D}} -3 {R!H} 0 {2,{S,D}} {4,{S,D}} -4 {R!H} 0 {3,{S,D}} {5,{S,D}} -5 {R!H} 0 {4,{S,D}} {6,{S,D}} -6 {R!H} 0 {5,{S,D}} {7,{S,D}} -7 {R!H} 0 {6,{S,D}} {8,{S,D}} -8 {R!H} 0 {7,{S,D}} {9,{S,D}} -9 {R!H} 0 {8,{S,D}} {1,{S,D}} - -TenMember -1 * {R!H} 0 {2,{S,D}} {10,{S,D}} -2 {R!H} 0 {1,{S,D}} {3,{S,D}} -3 {R!H} 0 {2,{S,D}} {4,{S,D}} -4 {R!H} 0 {3,{S,D}} {5,{S,D}} -5 {R!H} 0 {4,{S,D}} {6,{S,D}} -6 {R!H} 0 {5,{S,D}} {7,{S,D}} -7 {R!H} 0 {6,{S,D}} {8,{S,D}} -8 {R!H} 0 {7,{S,D}} {9,{S,D}} -9 {R!H} 0 {8,{S,D}} {10,{S,D}} -10 {R!H} 0 {9,{S,D}} {1,{S,D}} - -//////////// Hydrocarbon rings - -// num. identical central atoms = three -Cyclopropane -1 * Cs 0 {2,S} {3,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {1,S} - -Cyclopropene -1 * Cs 0 {2,S} {3,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {1,S} {2,D} - -Methylene_cyclopropane -1 * Cd 0 {2,S} {3,S} {4,D} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {1,S} {2,S} -4 Cd 0 {1,D} - -// num. identical central atoms = four -Cyclobutane -1 * Cs 0 {2,S} {4,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {1,S} - -// num. identical central atoms = two -Cyclobutene -1 * Cs 0 {2,S} {4,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {3,S} {1,S} - -// num. identical central atoms = five -Cyclopentane -1 * Cs 0 {2,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} - -Cyclopentene -1 Cs 0 {2,S} {5,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {3,S} {5,S} -5 * Cs 0 {4,S} {1,S} - -Cyclopentadiene -1 * Cs 0 {2,S} {5,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {1,S} {4,D} - -// num. identical central atoms = six -Cyclohexane -1 * Cs 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {1,S} - -// num. identical central atoms = two -Cyclohexene -1 * Cs 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {1,S} - -// num. identical central atoms = two -1,3-Cyclohexadiene -1 Cs 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 * Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {1,S} {5,D} - -// num. identical central atoms = two -1,4-Cyclohexadiene -1 Cs 0 {2,S} {6,S} -2 * Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {5,S} {3,S} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {1,S} {5,D} - -// num. identical central atoms = seven -Cycloheptane -1 * Cs 0 {2,S} {7,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {1,S} - -Cycloheptene -1 * Cs 0 {2,S} {7,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {6,S} {4,D} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {1,S} - -1,3-Cycloheptadiene -1 * Cs 0 {2,S} {7,S} -2 Cs 0 {1,S} {3,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {7,S} {5,D} -7 Cs 0 {6,S} {1,S} - -1,3,5-Cycloheptatriene -1 * Cs 0 {2,S} {7,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {6,S} {4,D} -6 Cd 0 {5,S} {7,D} -7 Cd 0 {1,S} {6,D} - -// num. identical central atoms = eight -Cyclooctane -1 * Cs 0 {2,S} {8,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {1,S} - -// num. identical central atoms = two -//cis-Cyclooctene -//1 * Cd 0 {8,S} {2,Dcis} -//2 Cd 0 {3,S} {1,Dcis} -//3 Cs 0 {2,S} {4,S} -//4 Cs 0 {3,S} {5,S} -//5 Cs 0 {4,S} {6,S} -//6 Cs 0 {5,S} {7,S} -//7 Cs 0 {6,S} {8,S} -//8 Cs 0 {7,S} {1,S} - -// num. identical central atoms = two -//trans-Cyclooctene -//1 * Cd 0 {8,S} {2,Dtrans} -//2 Cd 0 {3,S} {1,Dtrans} -//3 Cs 0 {2,S} {4,S} -//4 Cs 0 {3,S} {5,S} -//5 Cs 0 {4,S} {6,S} -//6 Cs 0 {5,S} {7,S} -//7 Cs 0 {6,S} {8,S} -//8 Cs 0 {7,S} {1,S} - -// num. identical central atoms = two -1,3,5-Cyclooctatriene -1 * Cs 0 {2,S} {8,S} -2 Cs 0 {1,S} {3,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {7,S} {5,D} -7 Cd 0 {6,S} {8,D} -8 Cd 0 {1,S} {7,D} - -// num. identical central atoms = eight -Cyclooctatetraene -1 * Cd 0 {8,S} {2,D} -2 Cd 0 {3,S} {1,D} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {7,S} {5,D} -7 Cd 0 {6,S} {8,D} -8 Cd 0 {1,S} {7,D} - -// num. identical central atoms = nine -Cyclononane -1 * Cs 0 {2,S} {9,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {1,S} - -//cis-Cyclononene -//1 Cd 0 {9,S} {2,Dcis} -//2 Cd 0 {3,S} {1,Dcis} -//3 Cs 0 {2,S} {4,S} -//4 Cs 0 {3,S} {5,S} -//5 Cs 0 {4,S} {6,S} -//6 * Cs 0 {5,S} {7,S} -//7 Cs 0 {6,S} {8,S} -//8 Cs 0 {7,S} {9,S} -//9 Cs 0 {8,S} {1,S} - -//trans-Cyclononene -//1 Cd 0 {9,S} {2,Dtrans} -//2 Cd 0 {3,S} {1,Dtrans} -//3 Cs 0 {2,S} {4,S} -//4 Cs 0 {3,S} {5,S} -//5 Cs 0 {4,S} {6,S} -//6 * Cs 0 {5,S} {7,S} -//7 Cs 0 {6,S} {8,S} -//8 Cs 0 {7,S} {9,S} -//9 Cs 0 {8,S} {1,S} - -// num. identical central atoms = ten -Cyclodecane -1 * Cs 0 {2,S} {10,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {1,S} - -// num. identical central atoms = twelve -Cyclododecane -1 * Cs 0 {2,S} {12,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {11,S} -11 Cs 0 {10,S} {12,S} -12 Cs 0 {11,S} {1,S} - -//////////////Hydrocarbons with two rings - -//////////////Hydrocarbons with three rings - - -///////////////////////////////////////////////////////////////////////////////// -//////////////Oxygen-containing rings - - Ethylene_oxide -1 * O 0 {2,S} {3,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {1,S} - -Oxetane -1 * O 0 {2,S} {4,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {1,S} - -Tetrahydrofuran -1 * O 0 {2,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} - - -1,3-Dioxane -1 O 0 {2,S} {6,S} -2 * Cs 0 {1,S} {3,S} -3 O 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {1,S} - -// num. identical central atoms = two -1,4-Dioxane -1 Cs 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 * O 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 O 0 {5,S} {1,S} - -// num. identical central atoms = three -1,3,5-Trioxane -1 Cs 0 {2,S} {6,S} -2 O 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 * O 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 O 0 {5,S} {1,S} - -2,3-Dihydrofuran -1 * O 0 {2,S} {5,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} - -1,3-Dioxolane -1 * Cs 0 {2,S} {5,S} -2 O 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 O 0 {4,S} {1,S} - -Furan -1 Cd 0 {5,S} {2,D} -2 Cd 0 {3,S} {1,D} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 * O 0 {4,S} {1,S} - -3,4-Dihydro-2H-pyran -1 O 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 * Cd 0 {4,S} {6,D} -6 Cd 0 {1,S} {5,D} - -Fulvene -1 * Cd 0 {2,S} {6,D} {5,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {2,D} {4,S} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {4,D} {1,S} -6 Cd 0 {1,D} - - -Dihydro-2,5-furandione -1 * O 0 {2,S} {5,S} -2 CO 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 CO 0 {4,S} {1,S} - -Pentanedioic_anhydride -1 * O 0 {2,S} {6,S} -2 CO 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 CO 0 {5,S} {1,S} - -2,5-Furandione -1 * O 0 {2,S} {5,S} -2 CO 0 {1,S} {3,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 CO 0 {4,S} {1,S} - -Beta-Propiolactone -1 * O 0 {2,S} {4,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 CO 0 {3,S} {1,S} - -4-Methylene-2-oxetanone -1 * O 0 {2,S} {4,S} -2 Cd 0 {1,S} {3,S} {5,D} -3 Cs 0 {2,S} {4,S} -4 CO 0 {3,S} {1,S} -5 Cd 0 {2,D} - -Cyclobutanone -1 * CO 0 {2,S} {4,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {1,S} - -Cyclopentanone -1 * CO 0 {2,S} {5,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} - -Cyclohexanone -1 * CO 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {1,S} - -Cycloheptanone -1 * CO 0 {2,S} {7,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {1,S} - -Cyclooctanone -1 * CO 0 {2,S} {8,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {1,S} - -Cyclononanone -1 * CO 0 {2,S} {9,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {1,S} - -Cyclodecanone -1 * CO 0 {2,S} {10,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {1,S} - -Cycloundecanone -1 * CO 0 {2,S} {11,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {11,S} -11 Cs 0 {10,S} {1,S} - -Cyclododecanone -1 * CO 0 {2,S} {12,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {11,S} -11 Cs 0 {10,S} {12,S} -12 Cs 0 {11,S} {1,S} - -Cyclo(C15)anone -1 * CO 0 {2,S} {15,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {11,S} -11 Cs 0 {10,S} {12,S} -12 Cs 0 {11,S} {13,S} -13 Cs 0 {12,S} {14,S} -14 Cs 0 {13,S} {15,S} -15 Cs 0 {14,S} {1,S} - -Cyclo(C17)anone -1 * CO 0 {2,S} {17,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cs 0 {5,S} {7,S} -7 Cs 0 {6,S} {8,S} -8 Cs 0 {7,S} {9,S} -9 Cs 0 {8,S} {10,S} -10 Cs 0 {9,S} {11,S} -11 Cs 0 {10,S} {12,S} -12 Cs 0 {11,S} {13,S} -13 Cs 0 {12,S} {14,S} -14 Cs 0 {13,S} {15,S} -15 Cs 0 {14,S} {16,S} -16 Cs 0 {15,S} {17,S} -17 Cs 0 {16,S} {1,S} - -//////////////Oxygen-containing structures with two rings - - -//////////////Oxygen-containing structures with three rings - - - -dioxirane -1 * Os 0 {2,S} {3,S} -2 Os 0 {1,S} {3,S} -3 Cs 0 {2,S} {1,S} - - - - -cyclopropanone -1 Cd 0 {2,S} {3,S} {4,D} -2 * Cd 0 {1,S} {3,S} {5,D} -3 Cs 0 {2,S} {1,S} -4 Cd 0 {1,D} -5 Cd 0 {2,D} - - - - -12Methylenecyclopropane -1 Cd 0 {2,S} {3,S} {4,D} -2 * Cd 0 {1,S} {3,S} {5,D} -3 Cs 0 {2,S} {1,S} -4 Cd 0 {1,D} -5 Cd 0 {2,D} - - - - -2(co)oxirane -1 CO 0 {2,S} {3,S} -2 * Os 0 {1,S} {3,S} -3 Cs 0 {2,S} {1,S} - - - - -cyclopropanedione -1 CO 0 {2,S} {3,S} -2 * CO 0 {1,S} {3,S} -3 Cs 0 {2,S} {1,S} - - - - -cyclopropenone -1 Cd 0 {2,S} {3,D} -2 * CO 0 {1,S} {3,S} -3 Cd 0 {2,S} {1,D} - - - - -methylenecyclopropene -1 Cd 0 {2,S} {3,D} -2 * Cd 0 {1,S} {3,S} {4,D} -3 Cd 0 {2,S} {1,D} -4 Cd 0 {2,D} - - - - -methylenecyclopropanone -1 CO 0 {2,S} {3,S} -2 * Cd 0 {1,S} {3,S} {4,D} -3 Cs 0 {2,S} {1,S} -4 Cd 0 {2,D} - - - - -methyleneoxirane -1 Os 0 {2,S} {3,S} -2 * Cd 0 {1,S} {3,S} {4,D} -3 Cs 0 {2,S} {1,S} -4 Cd 0 {2,D} - - -//************* - -12dioxetane -1 Cs 0 {2,S} {4,S} -2 * Cs 0 {1,S} {3,S} -3 Os 0 {2,S} {4,S} -4 Os 0 {3,S} {1,S} - - - - -dioxerene -1 Cd 0 {4,S} {2,D} -2 * Cd 0 {3,S} {1,D} -3 Os 0 {2,S} {4,S} -4 Os 0 {3,S} {1,S} - - - - -cyclobutadiene -1 Cd 0 {4,S} {2,D} -2 * Cd 0 {3,S} {1,D} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {1,S} {3,D} - - - - -methylenecyclobutane -1 Cs 0 {4,S} {2,S} -2 * Cd 0 {3,S} {1,S} {5,D} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {1,S} {3,S} -5 Cd 0 {2,D} - - - -12methylenecyclobutane -1 Cd 0 {2,S} {4,S} {5,D} -2 Cd 0 {1,S} {3,S} {6,D} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {1,S} -5 Cd 0 {1,D} -6 Cd 0 {2,D} - - - - -2methyleneoxetane -1 Os 0 {4,S} {2,S} -2 * Cd 0 {3,S} {1,S} {5,D} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {1,S} {3,S} -5 Cd 0 {2,D} - - - -//************************** - -14methylenecyclohexane -1 Cs 0 {2,S} {6,S} -2 * Cd 0 {1,S} {3,S} {7,D} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cd 0 {4,S} {6,S} {8,D} -6 Cs 0 {5,S} {1,S} -7 Cd 0 {2,D} -8 Cd 0 {5,D} - - - - -36dihydro2hpyran -1 Cd 0 {2,S} {6,D} -2 Cs 0 {1,S} {3,S} -3 * Cs 0 {2,S} {4,S} -4 Os 0 {3,S} {5,S} -5 Cs 0 {4,S} {6,S} -6 Cd 0 {5,S} {1,D} - - - - - -12dioxane -1 Cs 0 {2,S} {6,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 * Cs 0 {3,S} {5,S} -5 Os 0 {4,S} {6,S} -6 Os 0 {5,S} {1,S} - - - -34dihydro12dioxin -1 O 0 {2,S} {6,S} -2 O 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 * Cd 0 {4,S} {6,D} -6 Cd 0 {5,D} {1,S} - - - - -36dihydro12dioxin -1 Cs 0 {2,S} {6,S} -2 * Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {3,S} {5,S} -5 Os 0 {4,S} {6,S} -6 Os 0 {5,S} {1,S} - - - - -//34dihydro12dioxin -//1 Cd 0 {6,S} {2,D} -//2 Cd 0 {3,S} {1,D} -//3 Cs 0 {4,S} {2,S} -//4 * Cs 0 {3,S} {5,S} -//5 Os 0 {4,S} {6,S} -//6 Os 0 {5,S} {1,S} - - - - - -14dioxin -1 Cd 0 {6,S} {2,D} -2 Cd 0 {3,S} {1,D} -3 Os 0 {4,S} {2,S} -4 * Cd 0 {3,S} {5,D} -5 Cd 0 {6,S} {4,D} -6 Os 0 {5,S} {1,S} - - - - -124trioxane -1 Os 0 {6,S} {2,S} -2 Cs 0 {3,S} {1,S} -3 Os 0 {4,S} {2,S} -4 * Cs 0 {3,S} {5,S} -5 Cs 0 {6,S} {4,S} -6 Os 0 {5,S} {1,S} - - - - -123trioxane -1 Os 0 {6,S} {2,S} -2 Os 0 {3,S} {1,S} -3 Cs 0 {4,S} {2,S} -4 * Cs 0 {3,S} {5,S} -5 Cs 0 {6,S} {4,S} -6 Os 0 {5,S} {1,S} - - - - -124trioxene -1 Os 0 {6,S} {2,S} -2 Cs 0 {3,S} {1,S} -3 Os 0 {4,S} {2,S} -4 * Cd 0 {3,S} {5,D} -5 Cd 0 {6,S} {4,D} -6 Os 0 {5,S} {1,S} - - - - -123trioxene -1 Os 0 {6,S} {2,S} -2 Os 0 {3,S} {1,S} -3 Cs 0 {4,S} {2,S} -4 * Cd 0 {3,S} {5,D} -5 Cd 0 {6,S} {4,D} -6 Os 0 {5,S} {1,S} - - - - -13cyclohexadiene5methylene -1 Cs 0 {6,S} {2,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 * Cd 0 {3,S} {5,D} -5 Cd 0 {6,S} {4,D} -6 Cd 0 {5,S} {1,S} {7,D} -7 Cd 0 {6,D} - - - - -14cyclohexadiene3methylene -1 Cd 0 {6,S} {2,D} -2 Cd 0 {3,S} {1,D} -3 Cs 0 {4,S} {2,S} -4 * Cd 0 {3,S} {5,D} -5 Cd 0 {6,S} {4,D} -6 Cd 0 {5,S} {1,S} {7,D} -7 Cd 0 {6,D} - - - - -24cyclohexadienone -1 Cs 0 {6,S} {2,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 * Cd 0 {3,S} {5,D} -5 Cd 0 {6,S} {4,D} -6 CO 0 {5,S} {1,S} - - - - -25cyclohexadienone -1 * CO 0 {2,S} {6,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {3,S} {5,S} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {1,S} {5,D} - - - - -fg6 -1 * CO 0 {2,S} {6,S} -2 Cd 0 {1,S} {3,S} {7,D} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {5,S} {3,D} -5 Cd 0 {4,S} {6,D} -6 Cd 0 {1,S} {5,D} -7 Cd 0 {2,D} - - - - -oxylene -1 * Cd 0 {5,S} {6,S} {8,D} -2 Cd 0 {3,D} {6,S} -3 Cd 0 {4,S} {2,D} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {1,S} {4,D} -6 Cd 0 {1,S} {2,S} {7,D} -7 Cd 0 {6,D} -8 Cd 0 {1,D} - - - -obenzoquinone -1 * C 0 {5,S} {6,S} {8,D} -2 Cd 0 {3,D} {6,S} -3 Cd 0 {4,S} {2,D} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {1,S} {4,D} -6 C 0 {1,S} {2,S} {7,D} -7 Od 0 {6,D} -8 Od 0 {1,D} - - - -pxylene -1 * Cd 0 {4,S} {5,S} {6,D} -2 Cd 0 {5,D} {7,S} -3 Cd 0 {4,D} {7,S} -4 Cd 0 {1,S} {3,D} -5 Cd 0 {1,S} {2,D} -6 Cd 0 {1,D} -7 Cd 0 {3,S} {2,S} {8,D} -8 Cd 0 {7,D} - - - - -pbenzoquinone -1 * CO 0 {4,S} {5,S} -2 Cd 0 {5,D} {6,S} -3 Cd 0 {4,D} {6,S} -4 Cd 0 {1,S} {3,D} -5 Cd 0 {1,S} {2,D} -6 CO 0 {3,S} {2,S} - - -//****************************** - -12methylenecyclopentane -1 * Cd 0 {2,S} {5,S} {6,D} -2 Cd 0 {1,S} {3,S} {7,D} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} -6 Cd 0 {1,D} -7 Cd 0 {2,D} - - - - -butyrolactone -1 * CO 0 {2,S} {5,S} -2 Os 0 {1,S} {3,S} -3 Cs 0 {2,S} {4,S} -4 Cs 0 {3,S} {5,S} -5 Cs 0 {4,S} {1,S} - - - - -25dihydrofuran -1 * Cs 0 {5,S} {2,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {5,S} {3,S} -5 Os 0 {4,S} {1,S} - - - - -12dioxolane -1 * Os 0 {5,S} {2,S} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {4,S} {2,S} -4 Cs 0 {5,S} {3,S} -5 Os 0 {4,S} {1,S} - - - - - -12dioxolene -1 * Os 0 {5,S} {2,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {4,S} {2,D} -4 Cs 0 {5,S} {3,S} -5 Os 0 {4,S} {1,S} - - - - -123trioxolane -1 * Os 0 {5,S} {2,S} -2 Os 0 {1,S} {3,S} -3 Cs 0 {4,S} {2,S} -4 Cs 0 {5,S} {3,S} -5 Os 0 {4,S} {1,S} - - - - -124trioxolane -1 * Os 0 {5,S} {2,S} -2 Cs 0 {1,S} {3,S} -3 Os 0 {4,S} {2,S} -4 Cs 0 {5,S} {3,S} -5 Os 0 {4,S} {1,S} - - - - -methylenecyclopentane -1 * Cd 0 {5,S} {2,S} {6,D} -2 Cs 0 {1,S} {3,S} -3 Cs 0 {4,S} {2,S} -4 Cs 0 {5,S} {3,S} -5 Cs 0 {4,S} {1,S} -6 Cd 0 {1,D} - - - -// Sulfur containing rings -// Added by Aäron Vandeputte August 25th 2009 - - -// Three membered rings - -thiirene -1 * S 0 {2,S} {3,S} -2 C 0 {1,S} {3,D} -3 C 0 {1,S} {2,D} - -thiirane -1 * S 0 {2,S} {3,S} -2 C 0 {1,S} {3,S} -3 C 0 {1,S} {2,S} - -dithiirane -1 * S 0 {2,S} {3,S} -2 S 0 {1,S} {3,S} -3 C 0 {1,S} {2,S} - -trithiirane -1 * S 0 {2,S} {3,S} -2 S 0 {1,S} {3,S} -3 S 0 {1,S} {2,S} - - - -// Four membered rings - - - -thietane -1 * S 0 {2,S} {4,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {1,S} {3,S} - -1,2-dithietane -1 * S 0 {2,S} {4,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {1,S} {3,S} - -1,3-dithietane -1 * S 0 {2,S} {4,S} -2 C 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {1,S} {3,S} - -trithietane -1 * S 0 {2,S} {4,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {1,S} {3,S} - -tetrathietane -1 * S 0 {2,S} {4,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 S 0 {1,S} {3,S} - - - -// Five membered rings - - - -thiolane -1 * S 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {1,S} {4,S} - -2,3-dihydrothiophene -1 * S 0 {2,S} {5,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {2,D} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {1,S} {4,S} - -2,5-dihydrothiophene -1 * S 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 Cd 0 {2,S} {4,D} -4 Cd 0 {3,D} {5,S} -5 C 0 {1,S} {4,S} - -thiophene -1 * S 0 {2,S} {5,S} -2 Cd 0 {1,S} {3,D} -3 Cd 0 {2,D} {4,S} -4 Cd 0 {3,S} {5,D} -5 Cd 0 {1,S} {4,D} - -1,2-dithiolane -1 * S 0 {2,S} {5,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {1,S} {4,S} - -1,3-dithiolane -1 * S 0 {2,S} {5,S} -2 C 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {1,S} {4,S} - -1,2,3-trithiolane -1 * S 0 {2,S} {5,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 C 0 {3,S} {5,S} -5 C 0 {1,S} {4,S} - -1,2,4-trithiolane -1 * S 0 {2,S} {5,S} -2 S 0 {1,S} {3,S} -3 C 0 {2,S} {4,S} -4 S 0 {3,S} {5,S} -5 C 0 {1,S} {4,S} - -tetrathiolane -1 * S 0 {2,S} {5,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 S 0 {3,S} {5,S} -5 C 0 {1,S} {4,S} - -pentathiolane -1 * S 0 {2,S} {5,S} -2 S 0 {1,S} {3,S} -3 S 0 {2,S} {4,S} -4 S 0 {3,S} {5,S} -5 S 0 {1,S} {4,S} - - diff --git a/output/RMG_database_sulfur/thermo_groups/Ring_Library.txt b/output/RMG_database_sulfur/thermo_groups/Ring_Library.txt deleted file mode 100644 index 90168ab6ae..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Ring_Library.txt +++ /dev/null @@ -1,164 +0,0 @@ -///////////////////////////////////////////////////////////// -// -// Paul Yelvington, July 6, 2004" -// Symmetry number removed. Bi,Tri-cycles removed." -// Paul Yelvington, June 17, 2004" -// Added generic ring groups. Values refer to the cyclo-alkane. -// Jing Song, Feb, 17, 2004" -// change the original Ring_Correction.txt into -// Ring_Dictionary.txt, Ring_Tree.txt, and Ring_Library.txt" -// To be consistent with other thermo databases -// -///////////////////////////////////////////////////////////// - -1 Cyclopropane 27.53 32.00880958 -3.227 -2.849 -2.536 -2.35 -2.191 -2.111 -1.76 0 0 0 Cyclopropane ring BENSON -2 Cyclopropene 55.47022422 33.32566974 -0.469 -0.789 -0.953 -1.107 -1.45 -1.696 -1.716 0 0 0 Cyclopropene ring BENSON -3 Methylene_cyclopropane 40.92 31.45066974 -2.1 -2.121 -2.081 -2.005 -1.98 -1.903 -1.541 0 0 0 Methylene cyclopropane ring BENSON -4 dioxirane 25.19771558 32.38766974 -3.099 -3.194 -3.095 -3.038 -3.281 -3.818 -1.346 0 0 0 -5 cyclopropanone 45.6 30.72466974 -2.274 -1.932 -1.307 -0.838 -1.06 -1.032 -0.271 0 0 0 -6 12Methylenecyclopropane 51.47110208 35.35866974 -2.326 -3.139 -3.361 -3.148 -2.736 -2.412 -1.706 0 0 0 -7 2(co)oxirane 40.76989009 34.529 0.147 -1.715 -2.067 -2.254 -2.546 -2.592 -1.488 0 0 0 -8 cyclopropanedione 67.29752019 38.91066974 2.85 1.69 0.674 -0.137 -1.157 -2.068 0.878 0 0 0 -9 cyclopropenone 56.77399816 35.61566974 -0.734 -1.275 -1.673 -1.861 -2.134 -2.557 -1.78 0 0 0 -10 methylenecyclopropene 69.3159927 39.88566974 0.457 -0.093 -0.645 -1.124 -1.936 -2.246 -2.962 0 0 0 -11 methylenecyclopropanone 57.7945766 37.18 -0.13 -1.101 -1.774 -2.139 -2.509 -2.858 -0.084 0 0 0 -12 methyleneoxirane 36.05425989 29.893 -2.101 -2.381 -2.338 -2.236 -2.424 -2.639 -2.068 0 0 0 -13 Cyclobutane 26.2 29.8 -4.61 -3.89 -3.14 -2.64 -1.88 -1.38 -0.67 0 0 0 Cyclobutane ring BENSON -14 Cyclobutene 29.84 29.86766974 -3.038 -2.783 -2.423 -2.153 -1.888 -1.694 -1.258 0 0 0 Cyclobutene ring BENSON -15 12dioxetane 28.07355355 29.02166974 -3.586 -4.031 -3.818 -3.503 -3.252 -3.45 1.262 0 0 0 -16 dioxerene 24.44132324 29.78266974 -3.375 -4.281 -4.206 -4.037 -3.926 -3.327 -2.473 0 0 0 -17 methylenecyclobutane 26.9 28.88866974 -3.91 -3.339 -2.739 -2.2 -1.51 -1.051 -62.52 0 0 0 -18 2methyleneoxetane 23.79 25.597 -3.33 -3.553 -3.213 -2.78 -2.445 -2.331 0.556 0 0 0 -19 cyclobutadiene 77.21353163 36.43033948 -2.336 -3.24 -3.526 -3.419 -3.071 -2.761 -2.346 0 0 0 -20 12methylenecyclobutane 28.04 31.48766974 -4.313 -4.605 -4.416 -3.887 -3.024 -2.355 -1.276 0 0 0 -21 Cyclopentane 6.3 27.3 -6.5 -5.5 -4.5 -3.8 -2.8 -1.93 -0.37 0 0 0 Cyclopentane ring BENSON -22 Cyclopentene 5.97 25.8283738 -4.5 -3.942 -3.291 -2.759 -2.08 -1.628 -0.898 0 0 0 Cyclopentene ring BENSON -23 Cyclopentadiene 6.05 27.98213548 -3.784497608 -3.72708134 -3.268803828 -2.743827751 -2.053588517 -1.654641148 -0.987559809 0 0 0 Cyclopentadiene ring BENSON -24 12methylenecyclopentane 6.67 31.384 -4.844 -5.197 -4.882 -4.175 -2.988 -2.088 -0.655 0 0 0 -25 butyrolactone 7.92 27.45466974 -5.836 -5.134 -4.114 -3.222 -2.341 -1.822 1.888 0 0 0 -26 25dihydrofuran 4.236743497 25.15043142 -3.946 -3.361 -2.438 -1.799 -1.458 -1.056 -0.254 0 0 0 -27 12dioxolane 6.053830707 25.05543142 -4.95 -4.859 -4.265 -3.679 -3.089 -3.091 1.915 0 0 0 -28 12dioxolene 4.568530962 29.97 -4.159 -4.213 -3.754 -3.376 -3.14 -2.919 -1.982 0 0 0 -29 123trioxolane 10.19707101 23.316 -2.566 -3.543 -3.344 -2.829 -2.487 -2.78 2.13 0 0 0 -30 124trioxolane 9.4531912 25.11043142 -5.648 -4.764 -3.63 -2.89 -2.711 -2.859 2.25 0 0 0 -31 methylenecyclopentane 5.21 24.62866974 -5.861 -4.909 -3.91 -3.01 -1.769 -0.969 0 0 0 0 -32 Cyclohexane 0.08 18.12768375 -5.8 -4.1 -2.9 -1.3 1.08 2.16 3 0 0 0 Cyclohexane ring BENSON https://sourceforge.net/forum/forum.php?thread_id=2801737&forum_id=904254 -33 Cyclohexene 1.17 21.21143142 -5.1 -4.3 -3.3 -2.5 -1.4 -0.7 0.4 0 0 0 Cyclohexene ring BENSON -34 1,3-Cyclohexadiene 3.78 23.98243142 -4.8 -4.7 -4.2 -3.5 -2.5 -1.8 -0.7 0 0 0 "1,3-Cyclohexadiene ring BENSON" -35 1,4-Cyclohexadiene 0.52 25.38486284 -3.4 -3.2 -2.6 -1.9 -1.2 -0.8 0.2 0 0 0 "1,4-Cyclohexadiene ring BENSON" -36 14methylenecyclohexane 1.23 15.73143142 -6 -5.349 -4.468 -3.521 -2.203 -1.238 0.384 0 0 0 -37 36dihydro2hpyran 1.43 19.2 -4.4 -4.0 -3.0 -2.2 -1.5 -0.8 2.3 0 0 0 -38 12dioxane 3.9 19.64243142 -5.66 -5.11 -4.17 -3.36 -2.52 -2.4 2.76 0 0 0 -39 36dihydro12dioxin 3.32 18.72 -5.45 -4.66 -3.81 -3.16 -2.65 -2.68 -1.53 0 0 0 -40 34dihydro12dioxin 1.07 20.3 -4.7 -4.9 -4.3 -3.7 -3.11 -2.62 0.62 0 0 0 -41 14dioxin 11.71 27.6 -5.9 -7.5 -7.5 -7.5 -6.8 -5.6 -4.2 -2.9 0 0 -42 124trioxane 3.6 19.9 -4.68 -4.07 -2.95 -2.09 -1.73 -1.8 5.2 0 0 0 -43 123trioxane 4.87 17.2 -2.08 -2.81 -2.55 -1.93 -1.55 -1.9 3.09 0 0 0 -44 124trioxene 6.98 24.5 -5.51 -5.86 -5.48 -4.98 -4.44 -4.15 -0.75 0 0 0 -45 123trioxene 4.0 21.57 -1.73 -2.67 -2.62 -2.27 -2.14 -2.08 -0.97 0 0 0 -46 13cyclohexadiene5methylene -4.78 28.295 -5.437 -6.088 -5.788 -4.994 -3.626 -2.664 -1.187 0 0 0 -47 14cyclohexadiene3methylene -2.31 27.775 -2.818 -2.82 -2.578 -2.314 -2.091 -1.771 -1.49 0 0 0 -48 24cyclohexadienone -10.77000001 29.286 -3.46 -4.214 -4.306 -4.049 -3.424 -3.243 0.32 0 0 0 -49 25cyclohexadienone -7.63 22.52643142 -3.3 -3.342 -3.034 -2.574 -1.976 -1.883 -0.24 0 0 0 -50 fg6 -4.62 28.901 -5.597 -6.43 -6.331 -5.573 -4.198 -3.361 -1.155 0 0 0 -51 oxylene 4.16 32.519 -2.078 -2.192 -2.249 -2.275 -2.541 -2.331 -2.797 0 0 0 -52 pxylene 1.16 31.34986284 -2.139 -2.309 -2.384 -2.407 -2.643 -2.403 -2.826 0 0 0 -53 pbenzoquinone 15.52 24.92386284 -2.957 -3.282 -3.278 -2.934 -2.427 -2.627 -0.312 0 0 0 -54 obenzoquinone 11.0 25.331 -2.887 -3.225 -3.233 -2.897 -2.4 -2.365 -0.077 0 0 0 -55 Cycloheptane 6.4 15.9 0 0 0 0 0 0 0 0 0 0 Cycloheptane ring BENSON -56 Cycloheptene 5.4 0 0 0 0 0 0 0 0 0 0 0 Cycloheptene ring BENSON -57 1,3-Cycloheptadiene 6.6 0 0 0 0 0 0 0 0 0 0 0 "1,3-Cycloheptadiene ring BENSON" -58 1,3,5-Cycloheptatriene 4.7 23.7 0 0 0 0 0 0 0 0 0 0 "1,3,5-Cycloheptatriene ring BENSON" -59 Cyclooctane 9.9 16.5 0 0 0 0 0 0 0 0 0 0 Cyclooctane ring BENSON -//60 cis-Cyclooctene 6 0 0 0 0 0 0 0 0 0 0 0 cis-Cyclooctene ring BENSON -//61 trans-Cyclooctene 15.3 0 0 0 0 0 0 0 0 0 0 0 trans-Cyclooctene ring BENSON -62 1,3,5-Cyclooctatriene 8.9 0 0 0 0 0 0 0 0 0 0 0 "1,3,5-Cyclooctatriene ring BENSON" -63 Cyclooctatetraene 17.1 0 0 0 0 0 0 0 0 0 0 0 Cyclooctatetraene ring BENSON -64 Cyclononane 12.8 0 0 0 0 0 0 0 0 0 0 0 Cyclononane ring BENSON -//65 cis-Cyclononene 9.9 0 0 0 0 0 0 0 0 0 0 0 cis-Cyclononene ring BENSON -//66 trans-Cyclononene 12.8 0 0 0 0 0 0 0 0 0 0 0 trans-Cyclononene ring BENSON -67 Cyclodecane 12.6 0 0 0 0 0 0 0 0 0 0 0 Cyclodecane ring BENSON -//68 Cyclododecane 4.4 0 0 0 0 0 0 0 0 0 0 0 Cyclododecane ring BENSON -69 Ethylene_oxide 26.82 31.17666974 -1.891 -2.459 -2.221 -1.969 -1.965 -1.759 2.564 0 0 0 "CY/C2O from THERM (Dorofeeva, 92) Cp1500 est. as Cp1000" -70 Oxetane 25.08 28.54866974 -4.08 -4.28 -3.636 -3.016 -2.451 -1.896 2.84 0 0 0 "CY/C3O from THERM (Dorofeeva, 92) Cp1500 est. as Cp1000" -71 Tetrahydrofuran 5.96 21.16243142 -5.93 -5.71 -4.67 -3.721 -2.689 -1.856 3.213 0 0 0 "CY/C4O from THERM (Dorofeeva, 92) Cp1500 est. as Cp1000" -//72 Tetrahydro-2H-pyran 0.8 17.18 -6.02 -5.48 -4.18 -2.98 -1.56 -0.48 -0.48 0 0 0 "CY/C5O from THERM (Dorofeeva, 92) Cp1500 est. as Cp1000" -73 1,3-Dioxane 1.88 16.19243142 -6.28 -5.951 -4.458 -3.15 -1.967 -0.83 6.799 0 0 0 "1,3-Dioxane ring BENSON" -74 1,4-Dioxane 3.4 17.80486284 -4.6 -5.00 -3.80 -2.6 -1.5 -0.4 8.9 0 0 0 "1,4-Dioxane ring BENSON" -75 1,3,5-Trioxane 4.09 16.19525233 -7.01 -5.719 -3.632 -2.189 -1.525 -0.624 7.031 0 0 0 "1,3,5-Trioxane ring BENSON" -76 2,3-Dihydrofuran 4.57 23.83 -5.56 -5.96 -5.695 -5.144 -4.218 -3.708 -0.284 0 0 0 "2,3-Dihydrofuran ring BENSON" -77 1,3-Dioxolane 5.13 20.40213548 -5.655 -6.405 -6.306 -6.405 -7.631 -8.27 -3.21 0 0 0 "1,3-Dioxolane ring BENSON" -78 Furan 6.89 30.08566974 -6.058 -7.002 -6.774 -6.09 -4.988 -3.95 -2.882 0 0 0 Furan ring BENSON -79 3,4-Dihydro-2H-pyran 3.94 22.01 -6.26 -6.496 -5.96 -5.142 -3.74 -2.915 0.529 0 0 0 "3,4-Dihydro-2H-pyran ring BENSON" -80 Dihydro-2,5-furandione 1.4 37.76466974 -5.235 -4.726 -3.615 -1.82 -1.835 -1.084 1.104 0 0 0 "Dihydro-2,5-furandione ring BENSON" -//81 Pentanedioic_anhydride 0.8 0 0 0 0 0 0 0 0 0 0 0 Pentanedioic anhydride ring BENSON -82 2,5-Furandione 3.6 0 0 0 0 0 0 0 0 0 0 0 "2,5-Furandione ring BENSON" -83 Beta-Propiolactone 22.98 30.392 -4.434 -4.019 -3.31 -2.703 -2.253 -2.012 1.3 0 0 0 Beta-Propiolactone ring BENSON -84 4-Methylene-2-oxetanone 16.94 35.47700923 -1.912 -1.903 -1.567 -1.378 -1.566 -1.528 1.547 0 0 0 4-Methylene-2-oxetanone ring BENSON -85 Cyclobutanone 22.53 29.83366974 -5.62 -4.96 -3.744 -2.671 -1.962 -1.415 -0.3 0 0 0 Cyclobutanone ring BENSON -86 Cyclopentanone 4.47 24.62866974 -6.06 -4.927 -3.392 -2.097 -1.093 -0.322 1.29 0 0 0 Cyclopentanone ring BENSON -87 Cyclohexanone 1.29 19.1 -5.4 -3.9 -2.3 -1.0 0.1 0.9 0 0 0 0 Cyclohexanone ring BENSON -88 Cycloheptanone 2.3 0 0 0 0 0 0 0 0 0 0 0 Cycloheptanone ring BENSON -89 Cyclooctanone 1.5 0 0 0 0 0 0 0 0 0 0 0 Cyclooctanone ring BENSON -90 Cyclononanone 4.7 0 0 0 0 0 0 0 0 0 0 0 Cyclononanone ring BENSON -91 Cyclodecanone 3.6 0 0 0 0 0 0 0 0 0 0 0 Cyclodecanone ring BENSON -//92 Cycloundecanone 4.4 0 0 0 0 0 0 0 0 0 0 0 Cycloundecanone ring BENSON -//93 Cyclododecanone 3 0 0 0 0 0 0 0 0 0 0 0 Cyclododecanone ring BENSON -//94 Cyclo(C15)anone 2.1 0 0 0 0 0 0 0 0 0 0 0 Cyclo(C15)anone ring BENSON -//95 Cyclo(C17)anone 1.1 0 0 0 0 0 0 0 0 0 0 0 Cyclo(C17)anone ring BENSON -// added following nodes (pey) -96 Ring 0 0 0 0 0 0 0 0 0 0 0 0 Dummy Root -97 ThreeMember Cyclopropane -98 FourMember Cyclobutane -99 FiveMember Cyclopentane -100 SixMember Cyclohexane -101 SevenMember Cycloheptane -102 EightMember Cyclooctane -103 NineMember Cyclononane -104 TenMember Cyclodecane -105 sixnosidedouble Cyclohexane -106 six-sidedoubles 10 10 10 10 10 10 10 10 0 0 0 0 -107 six-onesidedouble Cyclohexanone -108 sixmembd-allsingles-twosidedoubles-para 14methylenecyclohexane -109 sixmembd-allsingles-twosidedoubles-ortho six-sidedoubles -110 sixmembd-allsingles-twosidedoubles-meta six-sidedoubles -111 Oxane 0.7 18.8 -6 -5.5 -4.2 -3 -1.6 -0.5 4.9 0 0 0 -112 24dihydro13dioxin 3.1 20.2 -5.5 -5.1 -4.2 -3.4 -2.8 -2.3 0.9 0 0 0 -113 23dihydro14dioxin 7.9 19.3 -6.3 -7.5 -7.5 -6.9 -5.5 -4.9 0.7 0 0 0 -114 six-inringonedouble Cyclohexene -115 six-inringtwodouble-13 1,3-Cyclohexadiene -116 six-inringtwodouble-14 1,4-Cyclohexadiene -117 six-inringtwodouble-12 10 10 10 10 10 10 10 10 10 0 0 0 -118 six-oneside-twoindoubles-25 14cyclohexadiene3methylene -119 six-oneside-twoindoubles-24 13cyclohexadiene5methylene -120 six-twoin13-twoout oxylene -121 six-twoin14-twoout pxylene -122 Fulvene 14.73 34.1 -3.1 -3.4 -3.4 -3.2 -3.0 -2.6 -2.6 0 0 0 -//37 Ethylene_oxide 26.9 30.5 -2 -2.8 -3 -2.6 -2.3 -2.3 -2.3 0 0 0 Ethylene oxide ring BENSON Cp1500 est. as Cp1000 -//38 Oxetane 25.7 27.7 -4.6 -5 -4.2 -3.5 -2.5 0.2 0.2 0 0 0 Oxetane ring BENSON Cp1500 est. as Cp1000 -//39 Tetrahydrofuran 5.9 0 0 0 0 0 0 0 0 0 0 0 Tetrahydrofuran ring BENSON -//40 Tetrahydro-2H-pyran 0.5 0 0 0 0 0 0 0 0 0 0 0 Tetrahydro-2H-pyran ring BENSON - -// Sulfur containing rings - -123 thiirane 17.82 28.57 -3.02 -2.54 -2.13 -1.81 -1.49 -1.26 -0.96 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -124 dithiirane 21.37 31.73 -7.26 -6.35 -5.37 -4.63 -3.67 -3.08 -2.21 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -125 trithiirane 33.01 34.89 -6.97 -6.66 -6.40 -6.29 -6.10 -5.72 -4.28 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -126 thietane 19.82 25.35 -4.42 -3.66 -2.92 -2.30 -1.53 -1.01 -0.30 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -127 1,2-dithietane 23.45 24.44 -4.24 -3.62 -3.13 -2.69 -2.11 -1.62 -0.79 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -128 1,3-dithietane 16.87 29.55 -11.59 -9.53 -7.27 -5.52 -3.34 -2.19 -0.96 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -129 trithietane 30.77 29.05 -8.81 -7.66 -6.51 -5.66 -4.53 -3.75 -2.33 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -130 tetrathietane 43.10 32.19 -7.92 -7.46 -7.14 -6.99 -6.77 -6.27 -4.36 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -131 thiolane 2.02 20.68 -5.61 -4.54 -3.51 -2.63 -1.49 -0.73 0.32 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -132 2,3-dihydrothiophene 3.37 24.24 -5.58 -4.63 -3.67 -2.89 -1.90 -1.26 -0.41 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -133 2,5-dihydrothiophene 2.19 28.23 -10.84 -9.28 -7.17 -5.42 -3.18 -1.97 -0.74 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -134 thiophene -17.22 23.78 -5.15 -3.75 -2.70 -2.03 -1.45 -1.14 -0.76 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -135 1,2-dithiolane 23.29 23.78 -5.15 -6.27 -7.52 -8.83 -11.39 -13.48 -16.94 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -136 1,3-dithiolane 0.48 22.84 -8.45 -6.68 -4.91 -3.49 -1.72 -0.70 0.45 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -137 1,2,3-trithiolane 9.12 22.01 -5.51 -4.63 -3.98 -3.49 -2.82 -2.20 -0.88 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -138 1,2,4-trithiolane 4.40 24.39 -11.78 -9.58 -7.37 -5.67 -3.50 -2.26 -0.71 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -139 tetrathiolane 10.72 26.56 -9.82 -8.46 -7.22 -6.33 -5.17 -4.28 -2.40 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 -140 pentathiolane 17.23 30.31 -8.87 -8.30 -7.89 -7.72 -7.45 -6.84 -4.46 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 - -141 thiirene 52.44 34.28 -1.13 -3.80 -6.26 -8.36 -11.65 -14.12 -18.01 0 0 0 CBS-QB3 GA 1D-HR Aäron Vandeputte 2009 - diff --git a/output/RMG_database_sulfur/thermo_groups/Ring_Tree.txt b/output/RMG_database_sulfur/thermo_groups/Ring_Tree.txt deleted file mode 100644 index ea903b564a..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Ring_Tree.txt +++ /dev/null @@ -1,174 +0,0 @@ -///////////////////////////////////////////////////////////////// -// -// Paul Yelvington, June 17, 2004 -// Added another level to the tree to distinguish ring size -// Jing Song, Feb, 17, 2004 -// change the original Ring_Correction.txt into -// Ring_Dictionary.txt, Ring_Tree.txt, and Ring_Library.txt -// To be consistent with other thermo databases -// Notice that for the tree file, all the nodes are at level 1 -// which is actually a list structure -// -// NOTE: converted from Unicode, and added an L0 node -- JR 2/22/04 -// -///////////////////////////////////////////////////////////////// - -L0: Ring - -L1: ThreeMember - L2: Cyclopropane - L2: Cyclopropene - L2: Methylene_cyclopropane - L2: Ethylene_oxide - L2: dioxirane - L2: cyclopropanone - L2: 12Methylenecyclopropane - L2: 2(co)oxirane - L2: cyclopropanedione - L2: cyclopropenone - L2: methylenecyclopropene - L2: methylenecyclopropanone - L2: methyleneoxirane - L2: thiirane - L2: dithiirane - L2: trithiirane - L2: thiirene -L1: FourMember - L2: Cyclobutane - L2: Cyclobutene - L2: Oxetane - L2: Beta-Propiolactone - L2: 4-Methylene-2-oxetanone - L2: Cyclobutanone - L2: 12dioxetane - L2: dioxerene - L2: methylenecyclobutane - L2: 2methyleneoxetane - L2: cyclobutadiene - L2: 12methylenecyclobutane - L2: thietane - L2: 1,2-dithietane - L2: 1,3-dithietane - L2: trithietane - L2: tetrathietane -L1: FiveMember - L2: Cyclopentane - L2: Cyclopentene - L2: Cyclopentadiene - L2: Tetrahydrofuran - L2: 2,3-Dihydrofuran - L2: 1,3-Dioxolane - L2: Furan - L2: Dihydro-2,5-furandione - L2: 2,5-Furandione - L2: Cyclopentanone - L2: 12methylenecyclopentane - L2: butyrolactone - L2: 25dihydrofuran - L2: 12dioxolane - L2: 12dioxolene - L2: 123trioxolane - L2: 124trioxolane - L2: methylenecyclopentane - L2: Fulvene - L2: thiolane - L2: 2,3-dihydrothiophene - L2: 2,5-dihydrothiophene - L2: thiophene - L2: 1,2-dithiolane - L2: 1,3-dithiolane - L2: 1,2,3-trithiolane - L2: 1,2,4-trithiolane - L2: tetrathiolane - L2: pentathiolane -L1: SixMember - L2: sixnosidedouble - L3: Cyclohexane - L3: 12dioxane - L3: 1,3-Dioxane - L3: 1,4-Dioxane - L3: 1,3,5-Trioxane - L3: 124trioxane - L3: 123trioxane - L3: Oxane - L2: six-sidedoubles - L3: six-onesidedouble - L4: Cyclohexanone - L3: sixmembd-allsingles-twosidedoubles-para - L4: 14methylenecyclohexane - L3: sixmembd-allsingles-twosidedoubles-ortho - L3: sixmembd-allsingles-twosidedoubles-meta - L2: six-inringonedouble - L3: 34dihydro12dioxin - L3: 36dihydro2hpyran - L3: Cyclohexene - L3: 3,4-Dihydro-2H-pyran - L3: 36dihydro12dioxin - L3: 24dihydro13dioxin - L3: 23dihydro14dioxin - L3: 124trioxene - L3: 123trioxene - L2: six-inringtwodouble-13 - L3: 1,3-Cyclohexadiene - L2: six-inringtwodouble-14 - L3: 1,4-Cyclohexadiene - L3: 14dioxin - L2: six-inringtwodouble-12 - L2: six-oneside-twoindoubles-25 - L3: 25cyclohexadienone - L3: 14cyclohexadiene3methylene - L2: six-oneside-twoindoubles-24 - L3: 13cyclohexadiene5methylene - L3: 24cyclohexadienone - L2: six-twoin13-twoout - L3: fg6 - L3: oxylene - L3: obenzoquinone - L2: six-twoin14-twoout - L3: pxylene - L3: pbenzoquinone -// L2: Pentanedioic_anhydride -L1: SevenMember - L2: Cycloheptane - L2: Cycloheptene - L2: 1,3-Cycloheptadiene - L2: 1,3,5-Cycloheptatriene - L2: Cycloheptanone -L1: EightMember - L2: Cyclooctane -// L2: cis-Cyclooctene -// L2: trans-Cyclooctene - L2: 1,3,5-Cyclooctatriene - L2: Cyclooctatetraene - L2: Cyclooctanone -L1: NineMember - L2: Cyclononane -// L2: cis-Cyclononene -// L2: trans-Cyclononene - L2: Cyclononanone -L1: TenMember - L2: Cyclodecane - L2: Cyclodecanone - -//Very large rings and bi,tri-cycles -//L2: Cyclododecane -//L2: Spiropentane -//L2: Bicyclo-(1,1,0)-butane -//L2: Bicyclo-(2,1,0)-pentane -//L2: Bicyclo-(3,1,0)-hexane -//L2: 2,5-Norbornadiene -//L2: Bicyclo-(4,1,0)-heptane -//L2: Bicyclo-(2,2,1)-heptane -//L2: Bicyclo-(5,1,0)-octane -//L2: Bicyclo-(6,1,0)-nonane -//L2: Biphenylene -//L2: Cycloundecanone -//L2: Cyclododecanone -//L2: Cyclo(C15)anone -//L2: Cyclo(C17)anone -//L2: 1,3-Benzodioxole -//L2: 1,4-Dioxatetralin -//L2: trans-Bicyclo[4.4.0]-3-decanone -//L2: cis-Bicyclo[4.4.0]-3-decanone -//L2: Xantene -//L2: Dodecahydrodibenzo[b,d]furan diff --git a/output/RMG_database_sulfur/thermo_groups/Unifac_Dictionary.txt b/output/RMG_database_sulfur/thermo_groups/Unifac_Dictionary.txt deleted file mode 100644 index 698cd01799..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Unifac_Dictionary.txt +++ /dev/null @@ -1,699 +0,0 @@ -///////////////////////////////////////////////////////// -// Group Additivity Dictionary for estimating species radii -// Amrit Jalan, April 2009 -// Taken from file Ufnrqm.dta- Sandler's BASIC code 1992 -// Only C,H and O groups included -///////////////////////////////////////////////////////// - -R -1 * R 0 - -// Carbon adjList - -C // L1 Node -1 * C 0 - -// Carbon atom with 4 single bonds -Css -1 * Cs 0 - -// O atom with bonds undefined -O -1 * O 0 - -// O atom with single bonds only -Oss -1 * Os 0 - -// benzene carbon -Cb -1 * Cb 0 - -CO -1 * CO 0 - -// sp carbon -Ct -1 * Ct 0 - -// Carbon bonded with 1 double and 2 single bonds -Cds -1 * {Cd,CO} 0 - -// O= -Od -1 * Od 0 - -//Carbon atom bonded only to C and H -CssH3 -1 * Cs 0 {2,S} {3,S} {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -// does not the definition of a fifth group because it can be H or C. Defining R!H would exclude methane. - -CssH2 -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 R!H 0 {1,S} -5 R!H 0 {1,S} - -CssH -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 H 0 {1,S} -3 R!H 0 {1,S} -4 R!H 0 {1,S} -5 R!H 0 {1,S} - -Css-noH -1 * Cs 0 {2,S} {3,S} {4,S} {5,S} -2 R!H 0 {1,S} -3 R!H 0 {1,S} -4 R!H 0 {1,S} -5 R!H 0 {1,S} - -CH2=CH -1 * C 0 {2,D} {4,S} {5,S} -2 C 0 {3,S} {1,D} {6,S} -3 R!H 0 {2,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} - -CH2=C*H -1 C 0 {2,D} {4,S} {5,S} -2 * C 0 {3,S} {1,D} {6,S} -3 R!H 0 {2,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} - -CH=CH -1 * C 0 {2,D} {4,S} {5,S} -2 C 0 {3,S} {1,D} {6,S} -3 R!H 0 {2,S} -4 R!H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} - -CH=C*H -1 C 0 {2,D} {4,S} {5,S} -2 * C 0 {3,S} {1,D} {6,S} -3 R!H 0 {2,S} -4 R!H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} - -CH2=C -1 * C 0 {2,D} {5,S} {6,S} -2 C 0 {3,S} {1,D} {4,S} -3 R!H 0 {2,S} -4 R!H 0 {2,S} -5 H 0 {1,S} -6 H 0 {1,S} - -CH2=C* -1 C 0 {2,D} {5,S} {6,S} -2 * C 0 {3,S} {1,D} {4,S} -3 R!H 0 {2,S} -4 R!H 0 {2,S} -5 H 0 {1,S} -6 H 0 {1,S} - -CH=C -1 * C 0 {2,D} {4,S} {6,S} -2 C 0 {3,S} {1,D} {5,S} -3 R!H 0 {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 H 0 {1,S} - -CH=C* -1 C 0 {2,D} {4,S} {6,S} -2 * C 0 {3,S} {1,D} {5,S} -3 R!H 0 {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 H 0 {1,S} - -C=C -1 * C 0 {2,D} {4,S} {6,S} -2 C 0 {3,S} {1,D} {5,S} -3 R!H 0 {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 R!H 0 {1,S} - -C=C* -1 C 0 {2,D} {4,S} {6,S} -2 * C 0 {3,S} {1,D} {5,S} -3 R!H 0 {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 R!H 0 {1,S} - -ACH -1 * Cb 0 {2,S} -2 H 0 {1,S} - - -Cbfused3 -1 * C 0 {2,B} {3,B} {4,B} -2 C 0 {1,B} -3 C 0 {1,B} -4 C 0 {1,B} - -Cbfused2 -1 * C 0 {2,B} {3,B} {4,S} -2 C 0 {1,B} -3 C 0 {1,B} -4 C 0 {1,S} - - -ACCH3 -1 * Cb 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 H 0 {2,S} -4 H 0 {2,S} -5 H 0 {2,S} - -ACC*H3 -1 Cb 0 {2,S} -2 * C 0 {1,S} {3,S} {4,S} {5,S} -3 H 0 {2,S} -4 H 0 {2,S} -5 H 0 {2,S} - -ACCH2 -1 * Cb 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 R!H 0 {2,S} -4 H 0 {2,S} -5 H 0 {2,S} - - -ACC*H2 -1 Cb 0 {2,S} -2 * C 0 {1,S} {3,S} {4,S} {5,S} -3 R!H 0 {2,S} -4 H 0 {2,S} -5 H 0 {2,S} - -ACCH -1 * Cb 0 {2,S} -2 C 0 {1,S} {3,S} {4,S} {5,S} -3 R!H 0 {2,S} -4 R!H 0 {2,S} -5 H 0 {2,S} - -ACC*H -1 Cb 0 {2,S} -2 * C 0 {1,S} {3,S} {4,S} {5,S} -3 R!H 0 {2,S} -4 R!H 0 {2,S} -5 H 0 {2,S} - -OssH -1 * Os 0 {2,S} -2 H 0 {1,S} - -CH3OH -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Os 0 {1,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} - -CH3O*H -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 * Os 0 {1,S} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} - -H2O -1 * Os 0 {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -ACOH -1 * Cb 0 {2,S} -2 Os 0 {1,S} {3,S} -3 H 0 {2,S} - -ACO*H -1 Cb 0 {2,S} -2 * Os 0 {1,S} {3,S} -3 H 0 {2,S} - -CH3CO -1 * C 0 {2,S} {6,S} {4,S} {5,S} -2 C 0 {3,D} {1,S} -3 Od 0 {2,D} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {1,S} - -CH3C*O -1 C 0 {2,S} {6,S} {4,S} {5,S} -2 * C 0 {3,D} {1,S} -3 Od 0 {2,D} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {1,S} - -CH3CO* -1 C 0 {2,S} {6,S} {4,S} {5,S} -2 C 0 {3,D} {1,S} -3 * Od 0 {2,D} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {1,S} - -CH2CO -1 * C 0 {2,S} {4,S} {5,S} {6,S} -2 C 0 {3,D} {1,S} -3 Od 0 {2,D} -4 R!H 0 {1,S} -5 H 0 {1,S} -6 H 0 {1,S} - -CH2C*O -1 C 0 {2,S} {4,S} {5,S} {6,S} -2 * C 0 {3,D} {1,S} -3 Od 0 {2,D} -4 R!H 0 {1,S} -5 H 0 {1,S} -6 H 0 {1,S} - -CH2CO* -1 C 0 {2,S} {4,S} {5,S} {6,S} -2 C 0 {3,D} {1,S} -3 * Od 0 {2,D} -4 R!H 0 {1,S} -5 H 0 {1,S} -6 H 0 {1,S} - -CHO -1 * C 0 {2,D} {3,S} {4,S} -2 Od 0 {1,D} -3 R!H 0 {1,S} -4 H 0 {1,S} - -CHO* -1 C 0 {2,D} {3,S} {4,S} -2 * Od 0 {1,D} -3 R!H 0 {1,S} -4 H 0 {1,S} - -CH3COO -1 * C 0 {2,S} {5,S} {6,S} {7,S} -2 C 0 {1,S} {3,D} {4,S} -3 Od 0 {2,D} -4 Os 0 {2,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH3C*OO -1 C 0 {2,S} {5,S} {6,S} {7,S} -2 * C 0 {1,S} {3,D} {4,S} -3 Od 0 {2,D} -4 Os 0 {2,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH3CO*O -1 C 0 {2,S} {5,S} {6,S} {7,S} -2 C 0 {1,S} {3,D} {4,S} -3 * Od 0 {2,D} -4 Os 0 {2,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH3COO* -1 C 0 {2,S} {5,S} {6,S} {7,S} -2 C 0 {1,S} {3,D} {4,S} -3 Od 0 {2,D} -4 * Os 0 {2,S} -5 H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH2COO -1 * C 0 {2,S} {5,S} {6,S} {7,S} -2 C 0 {1,S} {3,D} {4,S} -3 Od 0 {2,D} -4 Os 0 {2,S} -5 R!H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH2C*OO -1 C 0 {2,S} {5,S} {6,S} {7,S} -2 * C 0 {1,S} {3,D} {4,S} -3 Od 0 {2,D} -4 Os 0 {2,S} -5 R!H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH2CO*O -1 C 0 {2,S} {5,S} {6,S} {7,S} -2 C 0 {1,S} {3,D} {4,S} -3 * Od 0 {2,D} -4 Os 0 {2,S} -5 R!H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH2COO* -1 C 0 {2,S} {5,S} {6,S} {7,S} -2 C 0 {1,S} {3,D} {4,S} -3 Od 0 {2,D} -4 * Os 0 {2,S} -5 R!H 0 {1,S} -6 H 0 {1,S} -7 H 0 {1,S} - - -HCOO -1 * C 0 {2,D} {3,S} -2 Od 0 {1,D} -3 Os 0 {1,S} -4 H 0 {1,S} - -HCO*O -1 C 0 {2,D} {3,S} -2 * Od 0 {1,D} -3 Os 0 {1,S} -4 H 0 {1,S} - -HCOO* -1 C 0 {2,D} {3,S} -2 Od 0 {1,D} -3 * Os 0 {1,S} -4 H 0 {1,S} - -CH3O -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Os 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -CH3O* -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 * Os 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -CH2O -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Os 0 {1,S} -3 R!H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -CH2O* -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 * Os 0 {1,S} -3 R!H 0 {1,S} -4 H 0 {1,S} -5 H 0 {1,S} - -CH-O -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 Os 0 {1,S} -3 R!H 0 {1,S} -4 R!H 0 {1,S} -5 H 0 {1,S} - -CH-O* -1 C 0 {2,S} {3,S} {4,S} {5,S} -2 * Os 0 {1,S} -3 R!H 0 {1,S} -4 R!H 0 {1,S} -5 H 0 {1,S} - -COOH -1 * C 0 {2,D} -2 Od 0 {1,D} -3 Os 0 {1,S} {4,S} -4 H 0 {3,S} - -CO*OH -1 C 0 {2,D} -2 * Od 0 {1,D} -3 Os 0 {1,S} {4,S} -4 H 0 {3,S} - -COO*H -1 C 0 {2,D} -2 Od 0 {1,D} -3 * Os 0 {1,S} {4,S} -4 H 0 {3,S} - -HCOOH -1 * C 0 {2,D} {5,S} -2 Od 0 {1,D} -3 Os 0 {1,S} {4,S} -4 H 0 {3,S} -5 H 0 {1,S} - -HCO*OH -1 C 0 {2,D} {5,S} -2 * Od 0 {1,D} -3 Os 0 {1,S} {4,S} -4 H 0 {3,S} -5 H 0 {1,S} - -HCOO*H -1 C 0 {2,D} {5,S} -2 Od 0 {1,D} -3 * Os 0 {1,S} {4,S} -4 H 0 {3,S} -5 H 0 {1,S} - -CtHCt -1 * Ct 0 {2,T} {3,S} -2 Ct 0 {1,T} -3 H 0 {1,S} - -CtCt -1 * Ct 0 {2,T} -2 Ct 0 {1,T} - -CH2OCH2 -1 * C 0 {3,S} {2,S} {4,S} {5,S} -2 C 0 {3,S} {1,S} {6,S} {7,S} -3 Os 0 {1,S} {2,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 H 0 {2,S} - -CH2OC*H2 -1 C 0 {3,S} {2,S} {4,S} {5,S} -2 * C 0 {3,S} {1,S} {6,S} {7,S} -3 Os 0 {1,S} {2,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 H 0 {2,S} - -CH2O*CH2 -1 C 0 {3,S} {2,S} {4,S} {5,S} -2 C 0 {3,S} {1,S} {6,S} {7,S} -3 * Os 0 {1,S} {2,S} -4 H 0 {1,S} -5 H 0 {1,S} -6 H 0 {2,S} -7 H 0 {2,S} - -CH2OC -1 * C 0 {3,S} {2,S} {6,S} {7,S} -2 C 0 {3,S} {1,S} {4,S} {5,S} -3 Os 0 {1,S} {2,S} -4 R!H 0 {2,S} -5 R!H 0 {2,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH2OC* -1 C 0 {3,S} {2,S} {6,S} {7,S} -2 * C 0 {3,S} {1,S} {4,S} {5,S} -3 Os 0 {1,S} {2,S} -4 R!H 0 {2,S} -5 R!H 0 {2,S} -6 H 0 {1,S} -7 H 0 {1,S} - - -CH2O*C -1 C 0 {3,S} {2,S} {6,S} {7,S} -2 C 0 {3,S} {1,S} {4,S} {5,S} -3 * Os 0 {1,S} {2,S} -4 R!H 0 {2,S} -5 R!H 0 {2,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH2OCH -1 * C 0 {3,S} {2,S} {6,S} {7,S} -2 C 0 {3,S} {1,S} {4,S} {5,S} -3 Os 0 {1,S} {2,S} -4 R!H 0 {2,S} -5 H 0 {2,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH2O*CH -1 C 0 {3,S} {2,S} {6,S} {7,S} -2 C 0 {3,S} {1,S} {4,S} {5,S} -3 * Os 0 {1,S} {2,S} -4 R!H 0 {2,S} -5 H 0 {2,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CH2OC*H -1 C 0 {3,S} {2,S} {6,S} {7,S} -2 * C 0 {3,S} {1,S} {4,S} {5,S} -3 Os 0 {1,S} {2,S} -4 R!H 0 {2,S} -5 H 0 {2,S} -6 H 0 {1,S} -7 H 0 {1,S} - -CHOC*H -1 C 0 {3,S} {2,S} {4,S} {6,S} -2 * C 0 {3,S} {1,S} {5,S} {7,S} -3 Os 0 {1,S} {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 H 0 {1,S} -7 H 0 {2,S} - -CHO*CH -1 C 0 {3,S} {2,S} {4,S} {6,S} -2 C 0 {3,S} {1,S} {5,S} {7,S} -3 * Os 0 {1,S} {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 H 0 {1,S} -7 H 0 {2,S} - -CHOCH -1 * C 0 {3,S} {2,S} {4,S} {6,S} -2 C 0 {3,S} {1,S} {5,S} {7,S} -3 Os 0 {1,S} {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 H 0 {1,S} -7 H 0 {2,S} - -CHOC -1 * C 0 {3,S} {2,S} {4,S} {7,S} -2 C 0 {3,S} {1,S} {5,S} {6,S} -3 Os 0 {1,S} {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 R!H 0 {2,S} -7 H 0 {1,S} - -CHOC* -1 C 0 {3,S} {2,S} {4,S} {7,S} -2 * C 0 {3,S} {1,S} {5,S} {6,S} -3 Os 0 {1,S} {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 R!H 0 {2,S} -7 H 0 {1,S} - -CHO*C -1 C 0 {3,S} {2,S} {4,S} {7,S} -2 C 0 {3,S} {1,S} {5,S} {6,S} -3 * Os 0 {1,S} {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 R!H 0 {2,S} -7 H 0 {1,S} - - -COC -1 * C 0 {3,S} {2,S} {4,S} {7,S} -2 C 0 {3,S} {1,S} {5,S} {6,S} -3 Os 0 {1,S} {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 R!H 0 {2,S} -7 R!H 0 {1,S} - -CO*C -1 C 0 {3,S} {2,S} {4,S} {7,S} -2 C 0 {3,S} {1,S} {5,S} {6,S} -3 * Os 0 {1,S} {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 R!H 0 {2,S} -7 R!H 0 {1,S} - -COC* -1 C 0 {3,S} {2,S} {4,S} {7,S} -2 * C 0 {3,S} {1,S} {5,S} {6,S} -3 Os 0 {1,S} {2,S} -4 R!H 0 {1,S} -5 R!H 0 {2,S} -6 R!H 0 {2,S} -7 R!H 0 {1,S} - -O=CO*C=O -1 C 0 {3,S} {2,S} {4,D} -2 C 0 {3,S} {1,S} {5,D} -3 * Os 0 {1,S} {2,S} -4 Od 0 {1,D} -5 Od 0 {2,D} - -O*=COC=O -1 C 0 {3,S} {2,S} {4,D} -2 C 0 {3,S} {1,S} {5,D} -3 Os 0 {1,S} {2,S} -4 * Od 0 {1,D} -5 Od 0 {2,D} - -O=COC*=O -1 C 0 {3,S} {2,S} {4,D} -2 * C 0 {3,S} {1,S} {5,D} -3 Os 0 {1,S} {2,S} -4 Od 0 {1,D} -5 Od 0 {2,D} - -O=COC=O* -1 C 0 {3,S} {2,S} {4,D} -2 C 0 {3,S} {1,S} {5,D} -3 Os 0 {1,S} {2,S} -4 Od 0 {1,D} -5 * Od 0 {2,D} - -O=COC=O -1 * C 0 {3,S} {2,S} {4,D} -2 C 0 {3,S} {1,S} {5,D} -3 Os 0 {1,S} {2,S} -4 Od 0 {1,D} -5 Od 0 {2,D} - -//ring -//1 * C 0 {2,D} {6,S} -//2 C 0 {1,D} {3,S} -//3 C 0 {2,S} {4,D} -//4 C 0 {3,D} {5,S} -//5 C 0 {4,S} {6,D} -//6 C 0 {1,S} {5,D} - diff --git a/output/RMG_database_sulfur/thermo_groups/Unifac_Library.txt b/output/RMG_database_sulfur/thermo_groups/Unifac_Library.txt deleted file mode 100644 index 22f591d964..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Unifac_Library.txt +++ /dev/null @@ -1,97 +0,0 @@ -//////////////////////////////////////////////////////////////////////////////// -// Group Additivity Library for estimating species radii -// Amrit Jalan, April 2009 -// Taken from file Ufnrqm.dta- Sandler's BASIC code 1992 -// Only C,H and O groups included -//////////////////////////////////////////////////////////////////////////////// - - -//# Group Ri Qi - -1 CssH3 .9011 .848 -2 CssH2 .6744 .54 -3 CssH .4469 .228 -4 Css-noH .2195 0 -5 CH2=CH 1.3454 1.176 -6 CH=CH 1.1167 .867 -7 CH2=C 1.1173 .988 -8 CH=C .8886 .676 -9 C=C .6605 .485 -10 ACH .5313 .4 -11 Cbfused3 .3652 .12 -12 ACCH3 1.2663 .968 -13 ACCH2 1.0396 .66 -14 ACCH .8121 .348 -15 OssH 1 1.2 -16 CH3OH 1.4311 1.432 -17 H2O .92 1.4 -18 ACOH .8952 .68 -19 CH3CO 1.6724 1.488 -20 CH2CO 1.4457 1.18 -21 CHO .998 .948 -22 CH3COO 1.9031 1.728 -23 CH2COO 1.6764 1.42 -24 HCOO 1.242 1.188 -25 CH3O 1.145 1.088 -26 CH2O .9183 .78 -27 CH-O .6908 .468 -28 COOH 1.3013 1.224 -29 HCOOH 1.52 1.532 -30 CtHCt 1.292 1.088 -31 CtCt 1.0613 .784 -32 CH2OCH2 1.5926 1.320 -33 CH2OCH 1.3652 1.008 -34 CH2OC 1.1378 0.780 -35 CHOCH 1.1378 0.696 -36 CHOC 0.9103 0.468 -37 COC 0.6829 0.240 -38 O=COC=O 1.7732 1.520 -39 CH2=C*H 0 0 -40 CH=C*H 0 0 -41 CH2=C* 0 0 -42 CH=C* 0 0 -43 C=C* 0 0 -44 ACC*H3 0 0 -45 ACC*H2 0 0 -46 ACC*H 0 0 -47 CH3O*H 0 0 -48 ACO*H 0 0 -49 CH3C*O 0 0 -50 CH3CO* 0 0 -51 CH2C*O 0 0 -52 CH2CO* 0 0 -53 CHO* 0 0 -54 CH3C*OO 0 0 -55 CH3CO*O 0 0 -56 CH3COO* 0 0 -57 CH2C*OO 0 0 -58 CH2CO*O 0 0 -59 CH2COO* 0 0 -60 HCO*O 0 0 -61 HCOO* 0 0 -62 CH3O* 0 0 -63 CH2O* 0 0 -64 CH-O* 0 0 -65 CO*OH 0 0 -66 COO*H 0 0 -67 HCO*OH 0 0 -68 HCOO*H 0 0 -69 CH2OC*H2 0 0 -70 CH2O*CH2 0 0 -71 CH2O*C 0 0 -72 CH2OC* 0 0 -73 CH2O*CH 0 0 -74 CH2OC*H 0 0 -75 CHOC*H 0 0 -76 CHO*CH 0 0 -77 CHOC* 0 0 -78 CHO*C 0 0 -79 CO*C 0 0 -80 COC* 0 0 -81 O*=COC=O 0 0 -82 O=CO*C=O 0 0 -83 O=COC*=O 0 0 -84 O=COC=O* 0 0 -85 Oss 0.41 1000 // Q value arbitrary. Note that RMG is not currently meant to use the Q values in any calculations -86 Od 0.324 1000 // Q value arbitrary -87 Cbfused2 .3652 .12 // set equal to Cbfused3 \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/Unifac_Tree.txt b/output/RMG_database_sulfur/thermo_groups/Unifac_Tree.txt deleted file mode 100644 index c4b3cdc548..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/Unifac_Tree.txt +++ /dev/null @@ -1,147 +0,0 @@ -///////////////////////////////////////////////////////// -// Group Additivity Tree for estimating species radii -// Amrit Jalan, April 2009 -// Taken from file Ufnrqm.dta- Sandler's BASIC code 1992 -// Only C,H and O groups included -///////////////////////////////////////////////////////// - -L0: R - - L1: C - - L2: Css - - L3: CssH3 - //L4: ACC*H3 - L4: CH3CO - L5: CH3COO - L4: CH3O - L5: CH3OH - - L3: CssH2 - - L4: CH2CO - L5: CH2COO - - L4: CH2O - L5: CH2CO - L6: CH2COO - L5: CH2OCH2 - L5: CH2OCH - L5: CH2OC - - //L4: ACC*H2 - - L3: CssH - - //L4: ACC*H - L4: CH-O - L5: CHOCH - L5: CHOC - L4: CH2OC*H - - L3: Css-noH - - L4: CH2OC* - L4: CHOC* - L4: COC - L4: CH2C*OO - - L2: Cbfused3 - L2: Cbfused2 - L2: Cb - - L3: ACH - L3: ACCH3 - L3: ACCH2 - L3: ACCH - L3: ACOH - - - L2: Cds - - - L3: CO - L4: CH3C*O - L5: CH3C*OO - L4: CH2C*O - L5: CH2C*OO - - L4: CHO - L5: CH3C*O // Corresponds to acetaldehyde - L5: CH2C*O - L5: O=COC=O - L5: HCOO - - L3: COOH - L4: HCOOH - - L3: CH2=C - L3: CH=C - L3: C=C - L3: CH2=C*H - L3: CH=C*H - L3: CH2=C* - L3: CH=C* - L3: C=C* - L3: CH2=CH - L3: CH=CH - - L2: Ct - - L3: CtCt - L3: CtHCt - - L1: O - - L2: Oss - - L3: OssH - - L4: CH3O*H - //L4: ACO*H - L4: COO*H - L5: HCOO*H - L5: CH3COO* - L5: CH2COO* - L3: HCOO* - L3: CH3O* - L3: CH2O* - L4: OssH - L4: CH2O*CH2 - L4: CH2O*C - L4: CH2O*CH - L3: CH-O* - L4: CHO*CH - L4: CHO*C - L3: CO*C - L3: O=CO*C=O - - - L2: Od - L3: CHO* - L4: CH3CO* - L5: CH3CO*O - L4: CH2CO* - L5: CH2CO*O - - L3: CH3CO* - L4: CH3CO*O - L3: CH2CO* - L4: CH2CO*O - L3: HCO*O - L4: HCO*OH - L3: CO*OH - L4: HCO*OH - L3: O*=COC=O - - - -// AROMATIC GROUPS -// Not implemented yet should be implemented through ring corrections - - L3: ACH - L3: ACCH3 - L3: ACCH2 - L3: ACCH - L3: ACOH \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/backup/CVS/Entries b/output/RMG_database_sulfur/thermo_groups/backup/CVS/Entries deleted file mode 100644 index f0825a1eac..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/backup/CVS/Entries +++ /dev/null @@ -1,14 +0,0 @@ -/Dictionary.txt/1.2/Tue Oct 28 22:03:39 2008// -/Group_Dictionary.txt/1.2/Tue Oct 28 22:03:39 2008// -/Group_Library.txt/1.2/Tue Oct 28 22:03:39 2008// -/Group_Tree.txt/1.2/Tue Oct 28 22:03:39 2008// -/Library.txt/1.2/Tue Oct 28 22:03:39 2008// -/Other_Corrections.txt/1.2/Tue Oct 28 22:03:39 2008// -/Other_Library_Dictionary.txt/1.2/Tue Oct 28 22:03:39 2008// -/Other_Tree.txt/1.2/Tue Oct 28 22:03:39 2008// -/Radical_Corrections.txt/1.2/Tue Oct 28 22:03:39 2008// -/Radical_Dictionary.txt/1.2/Tue Oct 28 22:03:39 2008// -/Radical_Library.txt/1.2/Tue Oct 28 22:03:39 2008// -/Radical_Tree.txt/1.2/Tue Oct 28 22:03:39 2008// -/Ring_Corrections.txt/1.2/Tue Oct 28 22:03:39 2008// -/Tree.txt/1.2/Tue Oct 28 22:03:39 2008// diff --git a/output/RMG_database_sulfur/thermo_groups/backup/CVS/Repository b/output/RMG_database_sulfur/thermo_groups/backup/CVS/Repository deleted file mode 100644 index 10bba0fdbf..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/backup/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/thermo/backup diff --git a/output/RMG_database_sulfur/thermo_groups/backup/CVS/Root b/output/RMG_database_sulfur/thermo_groups/backup/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/backup/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/thermo_groups/backup/Dictionary.txt b/output/RMG_database_sulfur/thermo_groups/backup/Dictionary.txt deleted file mode 100644 index 31d379afeb..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/backup/Dictionary.txt +++ /dev/null @@ -1,15735 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// Adjacency List -// -// Jing Song: combine Joanna's carbon adjList "CarbonDictionary_021029.txt" and oxygen adjList in "OxygendictionaryLibrary_021029" -// Nov 7, 2002 -// Jing Song: get rid of the dots following the index -// Nov 7, 2002 -// -///////////////////////////////////////////////////////////////////// - -///////////////////////////////////////////////////////////////////// -// Carbon Adjacency List -// -// Joanna Yu, Nov 10, 2002: include the description of nodes -// -// Joanna Yu -// Oct 29, 2002 -// -// Jing Song: get rid of "BF" bond type -// Dec 02, 2002 -// -///////////////////////////////////////////////////////////////////// - - R - 1 * R 0 - -// Carbon adjList - - C // L1 Node - 1 * C 0 - - Cbf // L2 Node - 1 * C 0 {2,B} {3,B} {4,B} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,B} - - - Cbf-CbCbCbf - 1 * C 0 {2,B} {3,B} {4,B} - 2 C 0 {1,B} {5,B} {6,S} - 3 C 0 {1,B} {7,B} {8,S} - 4 C 0 {1,B} {9,B} {10,B} - 5 C 0 {2,B} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 R 0 {3,S} - 9 C 0 {4,B} - 10 C 0 {4,B} - - - Cbf-CbCbfCbf - 1 * C 0 {2,B} {3,B} {4,B} - 2 C 0 {1,B} {5,B} {6,S} - 3 C 0 {1,B} {7,B} {8,B} - 4 C 0 {1,B} {9,B} {10,B} - 5 C 0 {2,B} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 C 0 {3,B} - 9 C 0 {4,B} - 10 C 0 {4,B} - - Cbf-CbfCbfCbf - 1 * C 0 {2,B} {3,B} {4,B} - 2 C 0 {1,B} {5,B} {6,B} - 3 C 0 {1,B} {7,B} {8,B} - 4 C 0 {1,B} {9,B} {10,B} - 5 C 0 {2,B} - 6 C 0 {2,B} - 7 C 0 {3,B} - 8 C 0 {3,B} - 9 C 0 {4,B} - 10 C 0 {4,B} - - Cb // L2 Node - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 R 0 {1,S} - - Cb-H - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 H 0 {1,S} - - Cb-Os - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 O 0 {1,S} - - Cb-C // L3 node - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} - - Cb-Cs - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} {5,S} {6,S} {7,S} - 5 R 0 {4,S} - 6 R 0 {4,S} - 7 R 0 {4,S} - - Cb-Cds // L4 node - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} {5,D} {6,S} - 5 R 0 {4,D} - 6 R 0 {4,S} - - Cb-(Cds-Od) - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} {5,D} {6,S} - 5 O 0 {4,D} - 6 R 0 {4,S} - - Cb-(Cds-Cd) // L5 node - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} {5,D} {6,S} - 5 C 0 {4,D} - 6 R 0 {4,S} - - Cb-(Cds-Cds) - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} {5,D} {6,S} - 5 C 0 {4,D} {7,S} {8,S} - 6 R 0 {4,S} - 7 R 0 {5,S} - 8 R 0 {5,S} - - Cb-(Cds-Cdd) // L6 node - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} {5,D} {6,S} - 5 C 0 {4,D} {7,D} - 6 R 0 {4,S} - 7 R 0 {5,D} - - Cb-(Cds-Cdd-Od) - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} {5,D} {6,S} - 5 C 0 {4,D} {7,D} - 6 R 0 {4,S} - 7 O 0 {5,D} - - Cb-(Cds-Cdd-Cd) - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} {5,D} {6,S} - 5 C 0 {4,D} {7,D} - 6 R 0 {4,S} - 7 C 0 {5,D} - - Cb-Ct - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} {5,T} - 5 C 0 {4,T} - - Cb-Cb - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} {5,B} {6,B} - 5 C 0 {4,B} - 6 C 0 {4,B} - - Ct // L2 Node - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 R 0 {1,S} - 4 R 0 {2,S} - - Ct-H - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 H 0 {1,S} - 4 R 0 {2,S} - - Ct-Os - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 O 0 {1,S} {5,S} - 4 R 0 {2,S} - 5 R 0 {3,S} - - Ct-C // L3 Node - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} - 4 R 0 {2,S} - - Ct-Cs - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} {5,S} {6,S} {7,S} - 4 R 0 {2,S} - 5 R 0 {3,S} - 6 R 0 {3,S} - 7 R 0 {3,S} - - Ct-Cds // L4 Node - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} {5,D} {6,S} - 4 R 0 {2,S} - 5 R 0 {3,D} - 6 R 0 {3,S} - - Ct-(Cds-Od) - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} {5,D} {6,S} - 4 R 0 {2,S} - 5 O 0 {3,D} - 6 R 0 {3,S} - - Ct-(Cds-Cd) // L5 Node - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} {5,D} {6,S} - 4 R 0 {2,S} - 5 C 0 {3,D} - 6 R 0 {3,S} - - Ct-(Cds-Cds) - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} {5,D} {6,S} - 4 R 0 {2,S} - 5 C 0 {3,D} {7,S} {8,S} - 6 R 0 {3,S} - 7 R 0 {5,S} - 8 R 0 {5,S} - - Ct-(Cds-Cdd) // L6 Node - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} {5,D} {6,S} - 4 R 0 {2,S} - 5 C 0 {3,D} {7,D} - 6 R 0 {3,S} - 7 R 0 {5,D} - - Ct-(Cds-Cdd-Od) - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} {5,D} {6,S} - 4 R 0 {2,S} - 5 C 0 {3,D} {7,D} - 6 R 0 {3,S} - 7 O 0 {5,D} - - Ct-(Cds-Cdd-Cd) - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} {5,D} {6,S} - 4 R 0 {2,S} - 5 C 0 {3,D} {7,D} - 6 R 0 {3,S} - 7 C 0 {5,D} - - Ct-Ct - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} {5,T} - 4 R 0 {2,S} - 5 C 0 {3,T} {6,S} - 6 R 0 {5,S} - - Ct-Cb - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} {5,B} {6,B} - 4 R 0 {2,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - - Cdd // L2 Node - 1 * C 0 {2,D} {3,D} - 2 R 0 {1,D} - 3 R 0 {1,D} - - Cdd-OdOd - 1 * C 0 {2,D} {3,D} - 2 O 0 {1,D} - 3 O 0 {1,D} - - Cdd-CdOd // L3 Node - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} - 3 O 0 {1,D} - - Cdd-CdsOd - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,S} {5,S} - 3 O 0 {1,D} - 4 R 0 {2,S} - 5 R 0 {2,S} - - Cdd-CddOd // L4 Node - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,D} - 3 O 0 {1,D} - 4 R 0 {2,D} - - Cdd-(Cdd-Od)Od - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,D} - 3 O 0 {1,D} - 4 O 0 {2,D} - - Cdd-(Cdd-Cd)Od - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,D} - 3 O 0 {1,D} - 4 C 0 {2,D} - - Cdd-CdCd // L3 Node - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} - 3 C 0 {1,D} - - Cdd-CddCdd // L4 Node - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,D} - 3 C 0 {1,D} {5,D} - 4 R 0 {2,D} - 5 R 0 {3,D} - - Cdd-(Cdd-Od)(Cdd-Od) - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,D} - 3 C 0 {1,D} {5,D} - 4 O 0 {2,D} - 5 O 0 {3,D} - - Cdd-(Cdd-Od)(Cdd-Cd) - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,D} - 3 C 0 {1,D} {5,D} - 4 O 0 {2,D} - 5 C 0 {3,D} - - Cdd-(Cdd-Cd)(Cdd-Cd) - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,D} - 3 C 0 {1,D} {5,D} - 4 C 0 {2,D} - 5 C 0 {3,D} - - Cdd-CddCds // L4 Node - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,D} - 3 C 0 {1,D} {5,S} {6,S} - 4 R 0 {2,D} - 5 R 0 {3,S} - 6 R 0 {3,S} - - Cdd-(Cdd-Od)Cds - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,D} - 3 C 0 {1,D} {5,S} {6,S} - 4 O 0 {2,D} - 5 R 0 {3,S} - 6 R 0 {3,S} - - Cdd-(Cdd-Cd)Cds - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,D} - 3 C 0 {1,D} {5,S} {6,S} - 4 C 0 {2,D} - 5 R 0 {3,S} - 6 R 0 {3,S} - - Cdd-CdsCds - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,S} {5,S} - 3 C 0 {1,D} {6,S} {7,S} - 4 R 0 {2,S} - 5 R 0 {2,S} - 6 R 0 {3,S} - 7 R 0 {3,S} - - Cds // L2 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 R 0 {1,D} - 3 R 0 {1,S} - 4 R 0 {1,S} - - Cds-OdHH - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - - Cds-OdOsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 O 0 {1,S} {5,S} - 4 H 0 {1,S} - 5 R 0 {3,S} - - Cds-OdOsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 O 0 {1,S} {5,S} - 4 O 0 {1,S} {6,S} - 5 R 0 {3,S} - 6 R 0 {4,S} - - Cds-OdCH // L3 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} - 4 H 0 {1,S} - - Cds-OdCsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,S} {6,S} {7,S} - 4 H 0 {1,S} - 5 R 0 {3,S} - 6 R 0 {3,S} - 7 R 0 {3,S} - - Cds-OdCdsH // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 H 0 {1,S} - 5 R 0 {3,D} - 6 R 0 {3,S} - - Cds-Od(Cds-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 H 0 {1,S} - 5 O 0 {3,D} - 6 R 0 {3,S} - - Cds-Od(Cds-Cd)H // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 H 0 {1,S} - 5 C 0 {3,D} - 6 R 0 {3,S} - - Cds-Od(Cds-Cds)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 H 0 {1,S} - 5 C 0 {3,D} {7,S} {8,S} - 6 R 0 {3,S} - 7 R 0 {5,S} - 8 R 0 {5,S} - - Cds-Od(Cds-Cdd)H // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 H 0 {1,S} - 5 C 0 {3,D} {7,D} - 6 R 0 {3,S} - 7 R 0 {5,D} - - Cds-Od(Cds-Cdd-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 H 0 {1,S} - 5 C 0 {3,D} {7,D} - 6 R 0 {3,S} - 7 O 0 {5,D} - - Cds-Od(Cds-Cdd-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 H 0 {1,S} - 5 C 0 {3,D} {7,D} - 6 R 0 {3,S} - 7 C 0 {5,D} - - Cds-OdCtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 H 0 {1,S} - 5 C 0 {3,T} {6,S} - 6 R 0 {5,S} - - Cds-OdCbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 H 0 {1,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - - Cds-OdCOs // L3 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} - 4 O 0 {1,S} {5,S} - 5 R 0 {4,S} - - Cds-OdCsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,S} {6,S} {7,S} - 4 O 0 {1,S} {8,S} - 5 R 0 {3,S} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - - Cds-OdCdsOs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 O 0 {1,S} {7,S} - 5 R 0 {3,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Cds-Od(Cds-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 O 0 {1,S} {7,S} - 5 O 0 {3,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Cds-Od(Cds-Cd)Os // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 O 0 {1,S} {7,S} - 5 C 0 {3,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Cds-Od(Cds-Cds)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 O 0 {1,S} {7,S} - 5 C 0 {3,D} {8,S} {9,S} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 R 0 {5,S} - 9 R 0 {5,S} - - Cds-Od(Cds-Cdd)Os // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 O 0 {1,S} {7,S} - 5 C 0 {3,D} {8,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 R 0 {5,D} - - Cds-Od(Cds-Cdd-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 O 0 {1,S} {7,S} - 5 C 0 {3,D} {8,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 O 0 {5,D} - - Cds-Od(Cds-Cdd-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 O 0 {1,S} {7,S} - 5 C 0 {3,D} {8,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 C 0 {5,D} - - Cds-OdCtOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 O 0 {1,S} {6,S} - 5 C 0 {3,T} {7,S} - 6 R 0 {4,S} - 7 R 0 {5,S} - - Cds-OdCbOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 O 0 {1,S} {7,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 R 0 {4,S} - - Cds-OdCC // L3 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} - 4 C 0 {1,S} - - Cds-OdCsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,S} {6,S} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 R 0 {3,S} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - - Cds-OdCdsCs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 R 0 {3,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - - Cds-Od(Cds-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 O 0 {3,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - - Cds-Od(Cds-Cd)Cs // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 C 0 {3,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - - Cds-Od(Cds-Cds)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 C 0 {3,D} {10,S} {11,S} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 R 0 {5,S} - - Cds-Od(Cds-Cdd)Cs // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 C 0 {3,D} {10,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {5,D} - - Cds-Od(Cds-Cdd-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 C 0 {3,D} {10,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 O 0 {5,D} - - Cds-Od(Cds-Cdd-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 C 0 {3,D} {10,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 C 0 {5,D} - - Cds-OdCdsCds // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 R 0 {3,D} - 6 R 0 {3,S} - 7 R 0 {4,D} - 8 R 0 {4,S} - - Cds-Od(Cds-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 O 0 {3,D} - 6 R 0 {3,S} - 7 O 0 {4,D} - 8 R 0 {4,S} - - Cds-Od(Cds-Cd)(Cds-Od) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} - 6 R 0 {3,S} - 7 O 0 {4,D} - 8 R 0 {4,S} - - Cds-Od(Cds-Cds)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,S} {10,S} - 6 R 0 {3,S} - 7 O 0 {4,D} - 8 R 0 {4,S} - 9 R 0 {5,S} - 10 R 0 {5,S} - - Cds-Od(Cds-Cdd)(Cds-Od) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,D} - 6 R 0 {3,S} - 7 O 0 {4,D} - 8 R 0 {4,S} - 9 R 0 {5,D} - - Cds-Od(Cds-Cdd-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,D} - 6 R 0 {3,S} - 7 O 0 {4,D} - 8 R 0 {4,S} - 9 O 0 {5,D} - - Cds-Od(Cds-Cdd-Cd)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,D} - 6 R 0 {3,S} - 7 O 0 {4,D} - 8 R 0 {4,S} - 9 C 0 {5,D} - - Cds-Od(Cds-Cd)(Cds-Cd) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} - 6 R 0 {3,S} - 7 C 0 {4,D} - 8 R 0 {4,S} - - Cds-Od(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,S} {10,S} - 6 R 0 {3,S} - 7 C 0 {4,D} {11,S} {12,S} - 8 R 0 {4,S} - 9 R 0 {5,S} - 10 R 0 {5,S} - 11 R 0 {7,S} - 12 R 0 {7,S} - - Cds-Od(Cds-Cdd)(Cds-Cds) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,D} - 6 R 0 {3,S} - 7 C 0 {4,D} {10,S} {11,S} - 8 R 0 {4,S} - 9 R 0 {5,D} - 10 R 0 {7,S} - 11 R 0 {7,S} - - Cds-Od(Cds-Cdd-Od)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,D} - 6 R 0 {3,S} - 7 C 0 {4,D} {10,S} {11,S} - 8 R 0 {4,S} - 9 O 0 {5,D} - 10 R 0 {7,S} - 11 R 0 {7,S} - - Cds-Od(Cds-Cdd-Cd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,D} - 6 R 0 {3,S} - 7 C 0 {4,D} {10,S} {11,S} - 8 R 0 {4,S} - 9 C 0 {5,D} - 10 R 0 {7,S} - 11 R 0 {7,S} - - Cds-Od(Cds-Cdd)(Cds-Cdd) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,D} - 6 R 0 {3,S} - 7 C 0 {4,D} {10,D} - 8 R 0 {4,S} - 9 R 0 {5,D} - 10 R 0 {7,D} - - - Cds-Od(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,D} - 6 R 0 {3,S} - 7 C 0 {4,D} {10,D} - 8 R 0 {4,S} - 9 O 0 {5,D} - 10 O 0 {7,D} - - Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,D} - 6 R 0 {3,S} - 7 C 0 {4,D} {10,D} - 8 R 0 {4,S} - 9 C 0 {5,D} - 10 O 0 {7,D} - - Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,D} - 6 R 0 {3,S} - 7 C 0 {4,D} {10,D} - 8 R 0 {4,S} - 9 C 0 {5,D} - 10 C 0 {7,D} - - Cds-OdCtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 C 0 {1,S} {6,S} {7,S} {8,S} - 5 C 0 {3,T} {9,S} - 6 R 0 {4,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {5,S} - - Cds-OdCtCds // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 C 0 {1,S} {6,D} {7,S} - 5 C 0 {3,T} {8,S} - 6 R 0 {4,D} - 7 R 0 {4,S} - 8 R 0 {5,S} - - Cds-OdCt(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 C 0 {1,S} {6,D} {7,S} - 5 C 0 {3,T} {8,S} - 6 O 0 {4,D} - 7 R 0 {4,S} - 8 R 0 {5,S} - - Cds-OdCt(Cds-Cd) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 C 0 {1,S} {6,D} {7,S} - 5 C 0 {3,T} {8,S} - 6 C 0 {4,D} - 7 R 0 {4,S} - 8 R 0 {5,S} - - Cds-OdCt(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 C 0 {1,S} {6,D} {7,S} - 5 C 0 {3,T} {8,S} - 6 C 0 {4,D} {9,S} {10,S} - 7 R 0 {4,S} - 8 R 0 {5,S} - 9 R 0 {6,S} - 10 R 0 {6,S} - - Cds-OdCt(Cds-Cdd) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 C 0 {1,S} {6,D} {7,S} - 5 C 0 {3,T} {8,S} - 6 C 0 {4,D} {9,D} - 7 R 0 {4,S} - 8 R 0 {5,S} - 9 R 0 {6,D} - - Cds-OdCt(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 C 0 {1,S} {6,D} {7,S} - 5 C 0 {3,T} {8,S} - 6 C 0 {4,D} {9,D} - 7 R 0 {4,S} - 8 R 0 {5,S} - 9 O 0 {6,D} - - Cds-OdCt(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 C 0 {1,S} {6,D} {7,S} - 5 C 0 {3,T} {8,S} - 6 C 0 {4,D} {9,D} - 7 R 0 {4,S} - 8 R 0 {5,S} - 9 C 0 {6,D} - - Cds-OdCtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 C 0 {1,S} {6,T} - 5 C 0 {3,T} {7,S} - 6 C 0 {4,T} {8,S} - 7 R 0 {5,S} - 8 R 0 {6,S} - - Cds-OdCbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - - Cds-OdCbCds // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 R 0 {4,D} - 8 R 0 {4,S} - - Cds-OdCb(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 O 0 {4,D} - 8 R 0 {4,S} - - Cds-OdCb(Cds-Cd) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 C 0 {4,D} - 8 R 0 {4,S} - - Cds-OdCb(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 C 0 {4,D} {9,S} {10,S} - 8 R 0 {4,S} - 9 R 0 {7,S} - 10 R 0 {7,S} - - Cds-OdCb(Cds-Cdd) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 C 0 {4,D} {9,D} - 8 R 0 {4,S} - 9 R 0 {7,D} - - Cds-OdCb(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 C 0 {4,D} {9,D} - 8 R 0 {4,S} - 9 O 0 {7,D} - - Cds-OdCb(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 C 0 {4,D} {9,D} - 8 R 0 {4,S} - 9 C 0 {7,D} - - Cds-OdCbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {1,S} {7,T} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 C 0 {4,T} {8,S} - 8 R 0 {7,S} - - Cds-OdCbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {1,S} {7,B} {8,B} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 C 0 {4,B} - 8 C 0 {4,B} - - Cds-CdHH // L3 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - - Cds-CdsHH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - - Cds-CddHH // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 R 0 {2,D} - - Cds-(Cdd-Od)HH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 O 0 {2,D} - - Cds-(Cdd-Cd)HH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - - Cds-CdOsH // L3 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 O 0 {1,S} - 4 H 0 {1,S} - - Cds-CdsOsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 O 0 {1,S} {7,S} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,S} - - Cds-CddOsH // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 O 0 {1,S} {6,S} - 4 H 0 {1,S} - 5 R 0 {2,D} - 6 R 0 {3,S} - - Cds-(Cdd-Od)OsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 O 0 {1,S} {6,S} - 4 H 0 {1,S} - 5 O 0 {2,D} - 6 R 0 {3,S} - - Cds-(Cdd-Cd)OsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 O 0 {1,S} {6,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 R 0 {3,S} - - Cds-CdOsOs // L3 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 O 0 {1,S} - 4 O 0 {1,S} - - Cds-CdsOsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 O 0 {1,S} {7,S} - 4 O 0 {1,S} {8,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - - Cds-CddOsOs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 O 0 {1,S} {6,S} - 4 O 0 {1,S} {7,S} - 5 R 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Cds-(Cdd-Od)OsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 O 0 {1,S} {6,S} - 4 O 0 {1,S} {7,S} - 5 O 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Cds-(Cdd-Cd)OsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 O 0 {1,S} {6,S} - 4 O 0 {1,S} {7,S} - 5 C 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Cds-CdCH // L3 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 C 0 {1,S} - 4 H 0 {1,S} - - Cds-CdsCsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,S} {8,S} {9,S} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - - Cds-CdsCdsH // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,D} - 8 R 0 {3,S} - - Cds-Cds(Cds-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 O 0 {3,D} - 8 R 0 {3,S} - - Cds-Cds(Cds-Cd)H // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} - 8 R 0 {3,S} - - Cds-Cds(Cds-Cds)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {9,S} {10,S} - 8 R 0 {3,S} - 9 R 0 {7,S} - 10 R 0 {7,S} - - Cds-Cds(Cds-Cdd)H // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {9,D} - 8 R 0 {3,S} - 9 R 0 {7,D} - - Cds-Cds(Cds-Cdd-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {9,D} - 8 R 0 {3,S} - 9 O 0 {7,D} - - Cds-Cds(Cds-Cdd-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {9,D} - 8 R 0 {3,S} - 9 C 0 {7,D} - - Cds-CdsCtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,T} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,T} {8,S} - 8 R 0 {7,S} - - Cds-CdsCbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,B} {8,B} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 C 0 {3,B} - - Cds-CddCsH // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,S} {7,S} {8,S} - 4 H 0 {1,S} - 5 R 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - - Cds-(Cdd-Od)CsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,S} {7,S} {8,S} - 4 H 0 {1,S} - 5 O 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - - Cds-(Cdd-Cd)CsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,S} {7,S} {8,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - - Cds-CddCdsH // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 R 0 {2,D} - 6 R 0 {3,D} - 7 R 0 {3,S} - - Cds-(Cdd-Od)(Cds-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 O 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - - Cds-(Cdd-Od)(Cds-Cd)H // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 O 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - - Cds-(Cdd-Od)(Cds-Cds)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {8,S} {9,S} - 7 R 0 {3,S} - 8 R 0 {6,S} - 9 R 0 {6,S} - - Cds-(Cdd-Od)(Cds-Cdd)H // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {8,D} - 7 R 0 {3,S} - 8 R 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {8,D} - 7 R 0 {3,S} - 8 O 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {8,D} - 7 R 0 {3,S} - 8 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Od)H // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - - Cds-(Cdd-Cd)(Cds-Cd)H // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - - Cds-(Cdd-Cd)(Cds-Cds)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {8,S} {9,S} - 7 R 0 {3,S} - 8 R 0 {6,S} - 9 R 0 {6,S} - - Cds-(Cdd-Cd)(Cds-Cdd)H // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {8,D} - 7 R 0 {3,S} - 8 R 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {8,D} - 7 R 0 {3,S} - 8 O 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {8,D} - 7 R 0 {3,S} - 8 C 0 {6,D} - - Cds-CddCtH // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 H 0 {1,S} - 5 R 0 {2,D} - 6 C 0 {3,T} {7,S} - 7 R 0 {6,S} - - Cds-(Cdd-Od)CtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 H 0 {1,S} - 5 O 0 {2,D} - 6 C 0 {3,T} {7,S} - 7 R 0 {6,S} - - Cds-(Cdd-Cd)CtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 C 0 {3,T} {7,S} - 7 R 0 {6,S} - - Cds-CddCbH // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 H 0 {1,S} - 5 R 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - - Cds-(Cdd-Od)CbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 H 0 {1,S} - 5 O 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - - Cds-(Cdd-Cd)CbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - - Cds-CdCO // L3 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 C 0 {1,S} - 4 O 0 {1,S} - - Cds-CdsCsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,S} {8,S} {9,S} - 4 O 0 {1,S} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - - Cds-CdsCdsOs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 O 0 {1,S} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - - Cds-Cds(Cds-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 O 0 {1,S} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 O 0 {3,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - - Cds-Cds(Cds-Cd)Os // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 O 0 {1,S} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - - Cds-Cds(Cds-Cds)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 O 0 {1,S} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {10,S} {11,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {7,S} - 11 R 0 {7,S} - - Cds-Cds(Cds-Cdd)Os // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 O 0 {1,S} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {10,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {7,D} - - Cds-Cds(Cds-Cdd-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 O 0 {1,S} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {10,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 O 0 {7,D} - - Cds-Cds(Cds-Cdd-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 O 0 {1,S} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {10,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 C 0 {7,D} - - Cds-CdsCtOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,T} - 4 O 0 {1,S} {8,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,T} {9,S} - 8 R 0 {4,S} - 9 R 0 {7,S} - - Cds-CdsCbOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,B} {8,B} - 4 O 0 {1,S} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 C 0 {3,B} - 9 R 0 {4,S} - - Cds-CddCsOs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,S} {7,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 R 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - - Cds-(Cdd-Od)CsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,S} {7,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 O 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - - Cds-(Cdd-Cd)CsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,S} {7,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 C 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - - Cds-CddCdsOs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 R 0 {2,D} - 6 R 0 {3,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - - Cds-(Cdd-Od)(Cds-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 O 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - - Cds-(Cdd-Od)(Cds-Cd)Os // L5 node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 O 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - - Cds-(Cdd-Od)(Cds-Cds)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {9,S} {10,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {6,S} - 10 R 0 {6,S} - - Cds-(Cdd-Od)(Cds-Cdd)Os // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 O 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cd)Os // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 R 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - - Cds-(Cdd-Cd)(Cds-Cds)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {9,S} {10,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {6,S} - 10 R 0 {6,S} - - Cds-(Cdd-Cd)(Cds-Cdd)Os // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 O 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 C 0 {6,D} - - Cds-CddCtOs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 O 0 {1,S} {7,S} - 5 R 0 {2,D} - 6 C 0 {3,T} {8,S} - 7 R 0 {4,S} - 8 R 0 {6,S} - - Cds-(Cdd-Od)CtOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 O 0 {1,S} {7,S} - 5 O 0 {2,D} - 6 C 0 {3,T} {8,S} - 7 R 0 {4,S} - 8 R 0 {6,S} - - Cds-(Cdd-Cd)CtOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 O 0 {1,S} {7,S} - 5 C 0 {2,D} - 6 C 0 {3,T} {8,S} - 7 R 0 {4,S} - 8 R 0 {6,S} - - Cds-CddCbOs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 O 0 {1,S} {8,S} - 5 R 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 R 0 {4,S} - - Cds-(Cdd-Od)CbOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 O 0 {1,S} {8,S} - 5 O 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 R 0 {4,S} - - Cds-(Cdd-Cd)CbOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 O 0 {1,S} {8,S} - 5 C 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 R 0 {4,S} - - Cds-CdCC // L3 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 C 0 {1,S} - 4 C 0 {1,S} - - Cds-CdsCsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,S} {8,S} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - - Cds-CdsCdsCs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - - Cds-Cds(Cds-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 O 0 {3,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - - Cds-Cds(Cds-Cd)Cs // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - - Cds-Cds(Cds-Cds)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {12,S} {13,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {7,S} - 13 R 0 {7,S} - - Cds-Cds(Cds-Cdd)Cs // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {12,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {7,D} - - Cds-Cds(Cds-Cdd-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {12,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 O 0 {7,D} - - Cds-Cds(Cds-Cdd-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {12,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 C 0 {7,D} - - Cds-CdsCdsCds // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,D} - 8 R 0 {3,S} - 9 R 0 {4,D} - 10 R 0 {4,S} - - Cds-Cds(Cds-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 O 0 {3,D} - 8 R 0 {3,S} - 9 O 0 {4,D} - 10 R 0 {4,S} - - Cds-Cds(Cds-Od)(Cds-Cd) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 O 0 {3,D} - 8 R 0 {3,S} - 9 C 0 {4,D} - 10 R 0 {4,S} - - Cds-Cds(Cds-Od)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 O 0 {3,D} - 8 R 0 {3,S} - 9 C 0 {4,D} {11,S} {12,S} - 10 R 0 {4,S} - 11 R 0 {9,S} - 12 R 0 {9,S} - - Cds-Cds(Cds-Od)(Cds-Cdd) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 O 0 {3,D} - 8 R 0 {3,S} - 9 C 0 {4,D} {11,D} - 10 R 0 {4,S} - 11 R 0 {9,D} - - Cds-Cds(Cds-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 O 0 {3,D} - 8 R 0 {3,S} - 9 C 0 {4,D} {11,D} - 10 R 0 {4,S} - 11 O 0 {9,D} - - Cds-Cds(Cds-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 O 0 {3,D} - 8 R 0 {3,S} - 9 C 0 {4,D} {11,D} - 10 R 0 {4,S} - 11 C 0 {9,D} - - Cds-Cds(Cds-Cd)(Cds-Cd) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} - 8 R 0 {3,S} - 9 C 0 {4,D} - 10 R 0 {4,S} - - Cds-Cds(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,S} {12,S} - 8 R 0 {3,S} - 9 C 0 {4,D} {13,S} {14,S} - 10 R 0 {4,S} - 11 R 0 {7,S} - 12 R 0 {7,S} - 13 R 0 {9,S} - 14 R 0 {9,S} - - Cds-Cds(Cds-Cds)(Cds-Cdd) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,S} {12,S} - 8 R 0 {3,S} - 9 C 0 {4,D} {13,D} - 10 R 0 {4,S} - 11 R 0 {7,S} - 12 R 0 {7,S} - 13 R 0 {9,D} - - Cds-Cds(Cds-Cds)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,S} {12,S} - 8 R 0 {3,S} - 9 C 0 {4,D} {13,D} - 10 R 0 {4,S} - 11 R 0 {7,S} - 12 R 0 {7,S} - 13 O 0 {9,D} - - Cds-Cds(Cds-Cds)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,S} {12,S} - 8 R 0 {3,S} - 9 C 0 {4,D} {13,D} - 10 R 0 {4,S} - 11 R 0 {7,S} - 12 R 0 {7,S} - 13 C 0 {9,D} - - Cds-Cds(Cds-Cdd)(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,D} - 8 R 0 {3,S} - 9 C 0 {4,D} {12,D} - 10 R 0 {4,S} - 11 R 0 {7,D} - 12 R 0 {9,D} - - Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,D} - 8 R 0 {3,S} - 9 C 0 {4,D} {12,D} - 10 R 0 {4,S} - 11 O 0 {7,D} - 12 O 0 {9,D} - - Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,D} - 8 R 0 {3,S} - 9 C 0 {4,D} {12,D} - 10 R 0 {4,S} - 11 O 0 {7,D} - 12 C 0 {9,D} - - Cds-Cds(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,D} - 8 R 0 {3,S} - 9 C 0 {4,D} {12,D} - 10 R 0 {4,S} - 11 C 0 {7,D} - 12 C 0 {9,D} - - Cds-CdsCtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,T} {11,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {7,S} - - Cds-CdsCtCds // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,D} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,T} {10,S} - 8 R 0 {4,D} - 9 R 0 {4,S} - 10 R 0 {7,S} - - Cds-CdsCt(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,D} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,T} {10,S} - 8 O 0 {4,D} - 9 R 0 {4,S} - 10 R 0 {7,S} - - Cds-CdsCt(Cds-Cd) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,D} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,T} {10,S} - 8 R 0 {4,D} - 9 R 0 {4,S} - 10 R 0 {7,S} - - Cds-Cds(Cds-Cds)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,T} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {10,S} {11,S} - 8 R 0 {3,S} - 9 C 0 {4,T} {12,S} - 10 R 0 {7,S} - 11 R 0 {7,S} - 12 R 0 {9,S} - - Cds-Cds(Cds-Cdd)Ct // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,T} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {10,D} - 8 R 0 {3,S} - 9 C 0 {4,T} {11,S} - 10 R 0 {7,D} - 11 R 0 {9,S} - - Cds-Cds(Cds-Cdd-Od)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,T} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {10,D} - 8 R 0 {3,S} - 9 C 0 {4,T} {11,S} - 10 O 0 {7,D} - 11 R 0 {9,S} - - Cds-Cds(Cds-Cdd-Cd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,T} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {10,D} - 8 R 0 {3,S} - 9 C 0 {4,T} {11,S} - 10 C 0 {7,D} - 11 R 0 {9,S} - - Cds-CdsCtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,T} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,T} {9,S} - 8 C 0 {4,T} {10,S} - 9 R 0 {7,S} - 10 R 0 {8,S} - - Cds-CdsCbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,B} {8,B} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 C 0 {3,B} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - - Cds-CdsCbCds // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,B} {8,B} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 C 0 {3,B} - 9 R 0 {4,D} - 10 R 0 {4,S} - - Cds-CdsCb(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,B} {8,B} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 C 0 {3,B} - 9 O 0 {4,D} - 10 R 0 {4,S} - - Cds-Cds(Cds-Cd)Cb // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,B} {8,B} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 C 0 {3,B} - 9 R 0 {4,D} - 10 R 0 {4,S} - - Cds-Cds(Cds-Cds)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,B} {10,B} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,S} {12,S} - 8 R 0 {3,S} - 9 C 0 {4,B} - 10 C 0 {4,B} - 11 R 0 {7,S} - 12 R 0 {7,S} - - Cds-Cds(Cds-Cdd)Cb // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,B} {10,B} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,D} - 8 R 0 {3,S} - 9 C 0 {4,B} - 10 C 0 {4,B} - 11 R 0 {7,D} - - Cds-Cds(Cds-Cdd-Od)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,B} {10,B} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,D} - 8 R 0 {3,S} - 9 C 0 {4,B} - 10 C 0 {4,B} - 11 O 0 {7,D} - - Cds-Cds(Cds-Cdd-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,B} {10,B} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,D} - 8 R 0 {3,S} - 9 C 0 {4,B} - 10 C 0 {4,B} - 11 C 0 {7,D} - - Cds-CdsCbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,B} {8,B} - 4 C 0 {1,S} {9,T} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 C 0 {3,B} - 9 C 0 {4,T} {10,S} - 10 R 0 {9,S} - - Cds-CdsCbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,B} {8,B} - 4 C 0 {1,S} {9,B} {10,B} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 C 0 {3,B} - 9 C 0 {4,B} - 10 C 0 {4,B} - - Cds-CddCsCs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,S} {7,S} {8,S} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 R 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - - Cds-(Cdd-Od)CsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,S} {7,S} {8,S} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 O 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - - Cds-(Cdd-Cd)CsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,S} {7,S} {8,S} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 C 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - - Cds-CddCdsCs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 R 0 {2,D} - 6 R 0 {3,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - - Cds-(Cdd-Od)(Cds-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 O 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - - Cds-(Cdd-Od)(Cds-Cd)Cs // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 O 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - - Cds-(Cdd-Od)(Cds-Cds)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {11,S} {12,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {6,S} - 12 R 0 {6,S} - - Cds-(Cdd-Od)(Cds-Cdd)Cs // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {11,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {11,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 O 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {11,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cd)Cs // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 C 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - - Cds-(Cdd-Cd)(Cds-Cds)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {11,S} {12,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {6,S} - 12 R 0 {6,S} - - Cds-(Cdd-Cd)(Cds-Cdd)Cs // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {11,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {11,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 O 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {11,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 C 0 {6,D} - - Cds-CddCdsCds // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 R 0 {2,D} - 6 R 0 {3,D} - 7 R 0 {3,S} - 8 R 0 {4,D} - 9 R 0 {4,S} - - Cds-(Cdd-Od)(Cds-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 O 0 {4,D} - 9 R 0 {4,S} - - Cds-(Cdd-Od)(Cds-Cd)(Cds-Od) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 O 0 {4,D} - 9 R 0 {4,S} - - Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,S} {11,S} - 7 R 0 {3,S} - 8 O 0 {4,D} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {6,S} - - Cds-(Cdd-Od)(Cds-Cdd)(Cds-Od) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 O 0 {4,D} - 9 R 0 {4,S} - 10 R 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 O 0 {4,D} - 9 R 0 {4,S} - 10 O 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 O 0 {4,D} - 9 R 0 {4,S} - 10 C 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cd)(Cds-Cd) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,D} - 9 R 0 {4,S} - - Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,S} {11,S} - 7 R 0 {3,S} - 8 C 0 {4,D} {12,S} {13,S} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {6,S} - 12 R 0 {8,S} - 13 R 0 {8,S} - - Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cds) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,S} {12,S} - 9 R 0 {4,S} - 10 R 0 {6,D} - 11 R 0 {8,S} - 12 R 0 {8,S} - - - Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,S} {12,S} - 9 R 0 {4,S} - 10 O 0 {6,D} - 11 R 0 {8,S} - 12 R 0 {8,S} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,S} {12,S} - 9 R 0 {4,S} - 10 C 0 {6,D} - 11 R 0 {8,S} - 12 R 0 {8,S} - - Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cdd) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,D} - 9 R 0 {4,S} - 10 R 0 {6,D} - 11 R 0 {8,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,D} - 9 R 0 {4,S} - 10 O 0 {6,D} - 11 O 0 {8,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,D} - 9 R 0 {4,S} - 10 O 0 {6,D} - 11 C 0 {8,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,D} - 9 R 0 {4,S} - 10 C 0 {6,D} - 11 C 0 {8,D} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 O 0 {4,D} - 9 R 0 {4,S} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Cd) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,D} - 9 R 0 {4,S} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {10,S} {11,S} - 9 R 0 {4,S} - 10 R 0 {8,S} - 11 R 0 {8,S} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {10,D} - 9 R 0 {4,S} - 10 R 0 {8,D} - - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {10,D} - 9 R 0 {4,S} - 10 O 0 {8,D} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {10,D} - 9 R 0 {4,S} - 10 C 0 {8,D} - - Cds-(Cdd-Cd)(Cds-Cd)(Cds-Cd) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,D} - 9 R 0 {4,S} - - Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,S} {11,S} - 7 R 0 {3,S} - 8 C 0 {4,D} {12,S} {13,S} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {6,S} - 12 R 0 {8,S} - 13 R 0 {8,S} - - Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cds) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,S} {12,S} - 9 R 0 {4,S} - 10 R 0 {6,D} - 11 R 0 {8,S} - 12 R 0 {8,S} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,S} {12,S} - 9 R 0 {4,S} - 10 O 0 {6,D} - 11 R 0 {8,S} - 12 R 0 {8,S} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,S} {12,S} - 9 R 0 {4,S} - 10 C 0 {6,D} - 11 R 0 {8,S} - 12 R 0 {8,S} - - Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cdd) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,D} - 9 R 0 {4,S} - 10 R 0 {6,D} - 11 R 0 {8,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,D} - 9 R 0 {4,S} - 10 O 0 {6,D} - 11 O 0 {8,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,D} - 9 R 0 {4,S} - 10 O 0 {6,D} - 11 C 0 {8,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,D} - 9 R 0 {4,S} - 10 C 0 {6,D} - 11 C 0 {8,D} - - Cds-CddCtCs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 R 0 {2,D} - 6 C 0 {3,T} {10,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {6,S} - - Cds-(Cdd-Od)CtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,T} {10,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {6,S} - - Cds-(Cdd-Cd)CtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 C 0 {2,D} - 6 C 0 {3,T} {10,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {6,S} - - Cds-CddCtCds // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 R 0 {2,D} - 6 R 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,T} {9,S} - 9 R 0 {8,S} - - Cds-(Cdd-Od)(Cds-Od)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 O 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,T} {9,S} - 9 R 0 {8,S} - - Cds-(Cdd-Od)(Cds-Cd)Ct // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 O 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,T} {9,S} - 9 R 0 {8,S} - - Cds-(Cdd-Od)(Cds-Cds)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 O 0 {2,D} - 6 C 0 {3,D} {9,S} {10,S} - 7 R 0 {3,S} - 8 C 0 {4,T} {11,S} - 9 R 0 {6,S} - 10 R 0 {6,S} - 11 R 0 {8,S} - - Cds-(Cdd-Od)(Cds-Cdd)Ct // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 O 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 C 0 {4,T} {10,S} - 9 R 0 {6,D} - 10 R 0 {8,S} - - - Cds-(Cdd-Od)(Cds-Cdd-Od)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 O 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 C 0 {4,T} {10,S} - 9 O 0 {6,D} - 10 R 0 {8,S} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 O 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 C 0 {4,T} {10,S} - 9 C 0 {6,D} - 10 R 0 {8,S} - - Cds-(Cdd-Cd)(Cds-Cd)Ct // L5 node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 C 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,T} {9,S} - 9 R 0 {8,S} - - Cds-(Cdd-Cd)(Cds-Cds)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 C 0 {2,D} - 6 C 0 {3,D} {9,S} {10,S} - 7 R 0 {3,S} - 8 C 0 {4,T} {11,S} - 9 R 0 {6,S} - 10 R 0 {6,S} - 11 R 0 {8,S} - - Cds-(Cdd-Cd)(Cds-Cdd)Ct // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 C 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 C 0 {4,T} {10,S} - 9 R 0 {6,D} - 10 R 0 {8,S} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 C 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 C 0 {4,T} {10,S} - 9 O 0 {6,D} - 10 R 0 {8,S} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 C 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 C 0 {4,T} {10,S} - 9 C 0 {6,D} - 10 R 0 {8,S} - - Cds-CddCtCt // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 C 0 {1,S} {7,T} - 5 R 0 {2,D} - 6 C 0 {3,T} {8,S} - 7 C 0 {4,T} {9,S} - 8 R 0 {6,S} - 9 R 0 {7,S} - - Cds-(Cdd-Od)CtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 C 0 {1,S} {7,T} - 5 O 0 {2,D} - 6 C 0 {3,T} {8,S} - 7 C 0 {4,T} {9,S} - 8 R 0 {6,S} - 9 R 0 {7,S} - - Cds-(Cdd-Cd)CtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 C 0 {1,S} {7,T} - 5 C 0 {2,D} - 6 C 0 {3,T} {8,S} - 7 C 0 {4,T} {9,S} - 8 R 0 {6,S} - 9 R 0 {7,S} - - Cds-CddCbCs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 R 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - - - Cds-(Cdd-Od)CbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 O 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - - Cds-(Cdd-Cd)CbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 C 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - - Cds-CddCbCds // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 R 0 {2,D} - 6 R 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - - Cds-(Cdd-Od)(Cds-Od)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 O 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - - Cds-(Cdd-Od)(Cds-Cd)Cb // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 O 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - - Cds-(Cdd-Od)(Cds-Cds)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,S} {11,S} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - 10 R 0 {6,S} - 11 R 0 {6,S} - - Cds-(Cdd-Od)(Cds-Cdd)Cb // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - 10 R 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - 10 O 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - 10 C 0 {6,D} - - - Cds-(Cdd-Cd)(Cds-Cd)Cb // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 C 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - - Cds-(Cdd-Cd)(Cds-Cds)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,S} {11,S} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - 10 R 0 {6,S} - 11 R 0 {6,S} - - Cds-(Cdd-Cd)(Cds-Cdd)Cb // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - 10 R 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - 10 O 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - 10 C 0 {6,D} - - Cds-CddCbCt // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 C 0 {1,S} {8,T} - 5 R 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 C 0 {4,T} {9,S} - 9 R 0 {8,S} - - Cds-(Cdd-Od)CbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 C 0 {1,S} {8,T} - 5 O 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 C 0 {4,T} {9,S} - 9 R 0 {8,S} - - Cds-(Cdd-Cd)CbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 C 0 {1,S} {8,T} - 5 C 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 C 0 {4,T} {9,S} - 9 R 0 {8,S} - - Cds-CddCbCb // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 C 0 {1,S} {8,B} {9,B} - 5 R 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 C 0 {4,B} - 9 C 0 {4,B} - - Cds-(Cdd-Od)CbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 C 0 {1,S} {8,B} {9,B} - 5 O 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 C 0 {4,B} - 9 C 0 {4,B} - - Cds-(Cdd-Cd)CbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 C 0 {1,S} {8,B} {9,B} - 5 C 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 C 0 {4,B} - 9 C 0 {4,B} - - Cs // L2 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 R 0 {1,S} - 3 R 0 {1,S} - 4 R 0 {1,S} - 5 R 0 {1,S} - - Cs-HHHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 H 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CHHH // L3 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CsHHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,S} {7,S} {8,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,S} - 7 R 0 {2,S} - 8 R 0 {2,S} - - Cs-CdsHHH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - - Cs-(Cds-Od)HHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - - Cs-(Cds-Cd)HHH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - - Cs-(Cds-Cds)HHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {8,S} {9,S} - 7 R 0 {2,S} - 8 R 0 {6,S} - 9 R 0 {6,S} - - Cs-(Cds-Cdd)HHH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {8,D} - 7 R 0 {2,S} - 8 R 0 {6,D} - - Cs-(Cds-Cdd-Od)HHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {8,D} - 7 R 0 {2,S} - 8 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)HHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {8,D} - 7 R 0 {2,S} - 8 C 0 {6,D} - - Cs-CtHHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {7,S} - 7 R 0 {6,S} - - Cs-CbHHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - - Cs-OsHHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 O 0 {1,S} {6,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,S} - - Cs-OsOsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 O 0 {1,S} {6,S} - 3 O 0 {1,S} {7,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,S} - 7 R 0 {3,S} - - Cs-OsOsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 O 0 {1,S} {6,S} - 3 O 0 {1,S} {7,S} - 4 O 0 {1,S} {8,S} - 5 H 0 {1,S} - 6 R 0 {2,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - - Cs-CCHH // L3 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CsCsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,S} {7,S} {8,S} - 3 C 0 {1,S} {9,S} {10,S} {11,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,S} - 7 R 0 {2,S} - 8 R 0 {2,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {3,S} - - Cs-CdsCsHH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - - Cs-(Cds-Od)CsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - - Cs-(Cds-Cd)CsHH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - - Cs-(Cds-Cds)CsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,S} {12,S} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {6,S} - 12 R 0 {6,S} - - Cs-(Cds-Cdd)CsHH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 C 0 {6,D} - - Cs-CdsCdsHH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - - Cs-(Cds-Od)(Cds-Od)HH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - - Cs-(Cds-Od)(Cds-Cd)HH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - - Cs-(Cds-Od)(Cds-Cds)HH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {10,S} {11,S} - 9 R 0 {3,S} - 10 R 0 {8,S} - 11 R 0 {8,S} - - Cs-(Cds-Od)(Cds-Cdd)HH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {10,D} - 9 R 0 {3,S} - 10 R 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)HH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {10,D} - 9 R 0 {3,S} - 10 O 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)HH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {10,D} - 9 R 0 {3,S} - 10 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)HH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - - Cs-(Cds-Cds)(Cds-Cds)HH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,S} {11,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 R 0 {6,S} - 11 R 0 {6,S} - 12 R 0 {8,S} - 13 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cds)HH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,S} {12,S} - 9 R 0 {3,S} - 10 R 0 {6,D} - 11 R 0 {8,S} - 12 R 0 {8,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)HH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,S} {12,S} - 9 R 0 {3,S} - 10 O 0 {6,D} - 11 R 0 {8,S} - 12 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)HH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,S} {12,S} - 9 R 0 {3,S} - 10 C 0 {6,D} - 11 R 0 {8,S} - 12 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cdd)HH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,D} - 9 R 0 {3,S} - 10 R 0 {6,D} - 11 R 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)HH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,D} - 9 R 0 {3,S} - 10 O 0 {6,D} - 11 O 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)HH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,D} - 9 R 0 {3,S} - 10 O 0 {6,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)HH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,D} - 9 R 0 {3,S} - 10 C 0 {6,D} - 11 C 0 {8,D} - - Cs-CtCsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,S} {8,S} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {10,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {6,S} - - Cs-CtCdsHH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {9,S} - 9 R 0 {8,S} - - Cs-(Cds-Od)CtHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {9,S} - 9 R 0 {8,S} - - Cs-(Cds-Cd)CtHH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {9,S} - 9 R 0 {8,S} - - Cs-(Cds-Cds)CtHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {9,S} {10,S} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 R 0 {6,S} - 10 R 0 {6,S} - 11 R 0 {8,S} - - Cs-(Cds-Cdd)CtHH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {9,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {10,S} - 9 R 0 {6,D} - 10 R 0 {8,S} - - Cs-(Cds-Cdd-Od)CtHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {9,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {10,S} - 9 O 0 {6,D} - 10 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)CtHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {9,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {10,S} - 9 C 0 {6,D} - 10 R 0 {8,S} - - Cs-CtCtHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {8,S} - 7 C 0 {3,T} {9,S} - 8 R 0 {6,S} - 9 R 0 {7,S} - - Cs-CbCsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - - Cs-CbCdsHH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - - Cs-(Cds-Od)CbHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - - Cs-(Cds-Cd)CbHH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - - Cs-(Cds-Cds)CbHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,S} {11,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {6,S} - 11 R 0 {6,S} - - Cs-(Cds-Cdd)CbHH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CbHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {6,D} - - Cs-CbCtHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {9,S} - 9 R 0 {8,S} - - Cs-CbCbHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - - Cs-CCCH // L3 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 C 0 {1,S} - 5 H 0 {1,S} - - Cs-CsCsCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,S} {7,S} {8,S} - 3 C 0 {1,S} {9,S} {10,S} {11,S} - 4 C 0 {1,S} {12,S} {13,S} {14,S} - 5 H 0 {1,S} - 6 R 0 {2,S} - 7 R 0 {2,S} - 8 R 0 {2,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {3,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {4,S} - - Cs-CdsCsCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - - Cs-(Cds-Od)CsCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - - Cs-(Cds-Cd)CsCsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - - Cs-(Cds-Cds)CsCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - - Cs-(Cds-Cdd)CsCsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CsCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 C 0 {6,D} - - Cs-CtCsCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,S} {8,S} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {13,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {6,S} - - Cs-CbCsCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - - Cs-CdsCdsCsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - - Cs-(Cds-Od)(Cds-Od)CsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - - Cs-(Cds-Od)(Cds-Cd)CsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - - Cs-(Cds-Od)(Cds-Cds)CsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {8,S} - 14 R 0 {8,S} - - Cs-(Cds-Od)(Cds-Cdd)CsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 O 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)CsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - - Cs-(Cds-Cds)(Cds-Cds)CsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cds)CsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {8,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 O 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 C 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {6,D} - 14 R 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 O 0 {6,D} - 14 O 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 O 0 {6,D} - 14 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 C 0 {6,D} - 14 C 0 {8,D} - - Cs-CtCdsCsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {8,S} - - Cs-(Cds-Od)CtCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {8,S} - - Cs-(Cds-Cd)CtCsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {8,S} - - Cs-(Cds-Cds)CtCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,T} {14,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {8,S} - - Cs-(Cds-Cdd)CtCsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {6,D} - 13 R 0 {8,S} - - Cs-(Cds-Cdd-Od)CtCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 O 0 {6,D} - 13 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)CtCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 C 0 {6,D} - 13 R 0 {8,S} - - Cs-CbCdsCsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - - Cs-(Cds-Od)CbCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - - Cs-(Cds-Cd)CbCsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - - Cs-(Cds-Cds)CbCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - - Cs-(Cds-Cdd)CbCsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CbCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 C 0 {6,D} - - Cs-CtCtCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {11,S} - 7 C 0 {3,T} {12,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {6,S} - 12 R 0 {7,S} - - Cs-CbCtCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {12,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {8,S} - - Cs-CbCbCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - - Cs-CdsCdsCdsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,D} - 11 R 0 {4,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)H // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {12,S} {13,S} - 11 R 0 {4,S} - 12 R 0 {10,S} - 13 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)H // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {12,D} - 11 R 0 {4,S} - 12 R 0 {10,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {12,D} - 11 R 0 {4,S} - 12 O 0 {10,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {12,D} - 11 R 0 {4,S} - 12 C 0 {10,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)H // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,S} {15,S} - 11 R 0 {4,S} - 12 R 0 {8,S} - 13 R 0 {8,S} - 14 R 0 {10,S} - 15 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)H // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,S} {14,S} - 11 R 0 {4,S} - 12 R 0 {8,D} - 13 R 0 {10,S} - 14 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,S} {14,S} - 11 R 0 {4,S} - 12 O 0 {8,D} - 13 R 0 {10,S} - 14 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,S} {14,S} - 11 R 0 {4,S} - 12 C 0 {8,D} - 13 R 0 {10,S} - 14 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)H // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,D} - 11 R 0 {4,S} - 12 R 0 {8,D} - 13 R 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,D} - 11 R 0 {4,S} - 12 O 0 {8,D} - 13 O 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,D} - 11 R 0 {4,S} - 12 O 0 {8,D} - 13 C 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,D} - 11 R 0 {4,S} - 12 C 0 {8,D} - 13 C 0 {10,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)H // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,S} {17,S} - 11 R 0 {4,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,S} - 17 R 0 {10,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)H // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 O 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 C 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)H // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {8,D} - 15 R 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 O 0 {8,D} - 15 O 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 O 0 {8,D} - 15 C 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 C 0 {8,D} - 15 C 0 {10,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)H // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 R 0 {6,D} - 13 R 0 {8,D} - 14 R 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 O 0 {6,D} - 13 O 0 {8,D} - 14 O 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 O 0 {6,D} - 13 O 0 {8,D} - 14 C 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 O 0 {6,D} - 13 C 0 {8,D} - 14 C 0 {10,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {6,D} - 13 C 0 {8,D} - 14 C 0 {10,D} - - Cs-CtCdsCdsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {11,S} - 11 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Od)CtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {11,S} - 11 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cd)CtH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {11,S} - 11 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cds)CtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,S} {12,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 R 0 {8,S} - 12 R 0 {8,S} - 13 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)CtH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 R 0 {8,D} - 12 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)CtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 O 0 {8,D} - 12 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 C 0 {8,D} - 12 R 0 {10,S} - - Cs-(Cds-Cd)(Cds-Cd)CtH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {11,S} - 11 R 0 {10,S} - - Cs-(Cds-Cds)(Cds-Cds)CtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,S} {12,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {15,S} - 11 R 0 {6,S} - 12 R 0 {6,S} - 13 R 0 {8,S} - 14 R 0 {8,S} - 15 R 0 {10,S} - - Cs-(Cds-Cdd)(Cds-Cds)CtH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 R 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {8,S} - 14 R 0 {10,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 O 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {8,S} - 14 R 0 {10,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 C 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {8,S} - 14 R 0 {10,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CtH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 R 0 {6,D} - 12 R 0 {8,D} - 13 R 0 {10,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 O 0 {6,D} - 12 O 0 {8,D} - 13 R 0 {10,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 O 0 {6,D} - 12 C 0 {8,D} - 13 R 0 {10,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 C 0 {6,D} - 12 C 0 {8,D} - 13 R 0 {10,S} - - Cs-CbCdsCdsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - - Cs-(Cds-Od)(Cds-Od)CbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - - Cs-(Cds-Od)(Cds-Cd)CbH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - - Cs-(Cds-Od)(Cds-Cds)CbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {8,S} - 13 R 0 {8,S} - - Cs-(Cds-Od)(Cds-Cdd)CbH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 O 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)CbH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - - Cs-(Cds-Cds)(Cds-Cds)CbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cds)CbH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 O 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CbH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {6,D} - 13 R 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 O 0 {6,D} - 13 O 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 O 0 {6,D} - 13 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {6,D} - 13 C 0 {8,D} - - Cs-CtCtCdsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,D} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {10,S} - 7 C 0 {3,T} {11,S} - 8 R 0 {4,D} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {7,S} - - Cs-CtCt(Cds-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,D} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {10,S} - 7 C 0 {3,T} {11,S} - 8 O 0 {4,D} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {7,S} - - Cs-CtCt(Cds-Cd)H // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,D} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {10,S} - 7 C 0 {3,T} {11,S} - 8 C 0 {4,D} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {7,S} - - Cs-CtCt(Cds-Cds)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,D} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {10,S} - 7 C 0 {3,T} {11,S} - 8 C 0 {4,D} {12,S} {13,S} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {7,S} - 12 R 0 {8,S} - 13 R 0 {8,S} - - Cs-CtCt(Cds-Cdd)H // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,D} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {10,S} - 7 C 0 {3,T} {11,S} - 8 C 0 {4,D} {12,D} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {7,S} - 12 R 0 {8,D} - - Cs-CtCt(Cds-Cdd-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,D} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {10,S} - 7 C 0 {3,T} {11,S} - 8 C 0 {4,D} {12,D} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {7,S} - 12 O 0 {8,D} - - Cs-CtCt(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,D} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {10,S} - 7 C 0 {3,T} {11,S} - 8 C 0 {4,D} {12,D} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {7,S} - 12 C 0 {8,D} - - Cs-CbCtCdsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,D} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {11,S} - 9 R 0 {4,D} - 10 R 0 {4,S} - 11 R 0 {8,S} - - Cs-CbCt(Cds-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,D} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {11,S} - 9 O 0 {4,D} - 10 R 0 {4,S} - 11 R 0 {8,S} - - Cs-CbCt(Cds-Cd)H // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,D} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,D} - 10 R 0 {4,S} - 11 R 0 {8,S} - - Cs-CbCt(Cds-Cds)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,D} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,D} {12,S} {13,S} - 10 R 0 {4,S} - 11 R 0 {8,S} - 12 R 0 {9,S} - 13 R 0 {9,S} - - Cs-CbCt(Cds-Cdd)H // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,D} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,D} {12,D} - 10 R 0 {4,S} - 11 R 0 {8,S} - 12 R 0 {9,D} - - Cs-CbCt(Cds-Cdd-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,D} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,D} {12,D} - 10 R 0 {4,S} - 11 R 0 {8,S} - 12 O 0 {9,D} - - Cs-CbCt(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,D} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,D} {12,D} - 10 R 0 {4,S} - 11 R 0 {8,S} - 12 C 0 {9,D} - - Cs-CbCbCdsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,D} - 11 R 0 {4,S} - - Cs-CbCb(Cds-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 O 0 {4,D} - 11 R 0 {4,S} - - Cs-CbCb(Cds-Cd)H // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,D} - 11 R 0 {4,S} - - Cs-CbCb(Cds-Cds)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,D} {12,S} {13,S} - 11 R 0 {4,S} - 12 R 0 {10,S} - 13 R 0 {10,S} - - Cs-CbCb(Cds-Cdd)H // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,D} {12,D} - 11 R 0 {4,S} - 12 R 0 {10,D} - - Cs-CbCb(Cds-Cdd-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,D} {12,D} - 11 R 0 {4,S} - 12 O 0 {10,D} - - Cs-CbCb(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,D} {12,D} - 11 R 0 {4,S} - 12 C 0 {10,D} - - Cs-CtCtCtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,T} - 5 H 0 {1,S} - 6 C 0 {2,T} {9,S} - 7 C 0 {3,T} {10,S} - 8 C 0 {4,T} {11,S} - 9 R 0 {6,S} - 10 R 0 {7,S} - 11 R 0 {8,S} - - Cs-CbCtCtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {10,S} - 9 C 0 {4,T} {11,S} - 10 R 0 {8,S} - 11 R 0 {9,S} - - Cs-CbCbCtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {11,S} - 11 R 0 {10,S} - - Cs-CbCbCbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - - Cs-CCCC // L3 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 C 0 {1,S} - 5 C 0 {1,S} - - Cs-CsCsCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,S} {7,S} {8,S} - 3 C 0 {1,S} {9,S} {10,S} {11,S} - 4 C 0 {1,S} {12,S} {13,S} {14,S} - 5 C 0 {1,S} {15,S} {16,S} {17,S} - 6 R 0 {2,S} - 7 R 0 {2,S} - 8 R 0 {2,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {3,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {4,S} - 15 R 0 {5,S} - 16 R 0 {5,S} - 17 R 0 {5,S} - - Cs-CdsCsCsCs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 C 0 {1,S} {14,S} {15,S} {16,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {5,S} - - Cs-(Cds-Od)CsCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 C 0 {1,S} {14,S} {15,S} {16,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {5,S} - - Cs-(Cds-Cd)CsCsCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 C 0 {1,S} {14,S} {15,S} {16,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {5,S} - - Cs-(Cds-Cds)CsCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 C 0 {1,S} {14,S} {15,S} {16,S} - 6 C 0 {2,D} {17,S} {18,S} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {5,S} - 17 R 0 {6,S} - 18 R 0 {6,S} - - Cs-(Cds-Cdd)CsCsCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 C 0 {1,S} {14,S} {15,S} {16,S} - 6 C 0 {2,D} {17,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {5,S} - 17 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CsCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 C 0 {1,S} {14,S} {15,S} {16,S} - 6 C 0 {2,D} {17,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {5,S} - 17 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 C 0 {1,S} {14,S} {15,S} {16,S} - 6 C 0 {2,D} {17,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {5,S} - 17 C 0 {6,D} - - Cs-CtCsCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,S} {8,S} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,T} {16,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {6,S} - - Cs-CbCsCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 C 0 {1,S} {14,S} {15,S} {16,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {5,S} - - Cs-CdsCdsCsCs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)CsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cd)CsCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cds)CsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - - Cs-(Cds-Od)(Cds-Cdd)CsCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 O 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)CsCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - - Cs-(Cds-Cds)(Cds-Cds)CsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,S} {17,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {18,S} {19,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {6,S} - 17 R 0 {6,S} - 18 R 0 {8,S} - 19 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cds)CsCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,S} {18,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {6,D} - 17 R 0 {8,S} - 18 R 0 {8,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,S} {18,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 O 0 {6,D} - 17 R 0 {8,S} - 18 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,S} {18,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 C 0 {6,D} - 17 R 0 {8,S} - 18 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CsCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {6,D} - 17 R 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 O 0 {6,D} - 17 O 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 O 0 {6,D} - 17 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 C 0 {6,D} - 17 C 0 {8,D} - - Cs-CtCdsCsCs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {15,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {8,S} - - Cs-(Cds-Od)CtCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {15,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {8,S} - - Cs-(Cds-Cd)CtCsCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {15,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {8,S} - - Cs-(Cds-Cds)CtCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,T} {17,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - 17 R 0 {8,S} - - Cs-(Cds-Cdd)CtCsCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {16,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,D} - 16 R 0 {8,S} - - Cs-(Cds-Cdd-Od)CtCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {16,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {6,D} - 16 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)CtCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {16,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 C 0 {6,D} - 16 R 0 {8,S} - - Cs-CbCdsCsCs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - - Cs-(Cds-Od)CbCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - - Cs-(Cds-Cd)CbCsCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - - Cs-(Cds-Cds)CbCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,S} {17,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {6,S} - 17 R 0 {6,S} - - Cs-(Cds-Cdd)CbCsCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CbCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 C 0 {6,D} - - Cs-CtCtCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,T} {14,S} - 7 C 0 {3,T} {15,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {7,S} - - Cs-CbCtCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {15,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {8,S} - - Cs-CbCbCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - - Cs-CdsCdsCdsCs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,S} {16,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {10,S} - 16 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {10,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {10,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 C 0 {10,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,S} {18,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 R 0 {10,S} - 18 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,S} {17,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {8,D} - 16 R 0 {10,S} - 17 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,S} {17,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {8,D} - 16 R 0 {10,S} - 17 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,S} {17,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 C 0 {8,D} - 16 R 0 {10,S} - 17 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {8,D} - 16 R 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {8,D} - 16 O 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {8,D} - 16 C 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 C 0 {8,D} - 16 C 0 {10,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,S} {18,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {19,S} {20,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - 17 R 0 {8,S} - 18 R 0 {8,S} - 19 R 0 {10,S} - 20 R 0 {10,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,S} {18,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {19,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - 17 R 0 {8,S} - 18 R 0 {8,S} - 19 R 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,S} {18,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {19,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - 17 R 0 {8,S} - 18 R 0 {8,S} - 19 O 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,S} {18,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {19,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - 17 R 0 {8,S} - 18 R 0 {8,S} - 19 C 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - 17 R 0 {8,D} - 18 R 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - 17 O 0 {8,D} - 18 O 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - 17 O 0 {8,D} - 18 C 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - 17 C 0 {8,D} - 18 C 0 {10,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,D} - 16 R 0 {8,D} - 17 R 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {6,D} - 16 O 0 {8,D} - 17 O 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {6,D} - 16 O 0 {8,D} - 17 C 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {6,D} - 16 C 0 {8,D} - 17 C 0 {10,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 C 0 {6,D} - 16 C 0 {8,D} - 17 C 0 {10,D} - - Cs-CtCdsCdsCs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Od)CtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cd)CtCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cds)CtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {16,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)CtCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {15,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {8,D} - 15 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)CtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {15,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 O 0 {8,D} - 15 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {15,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 C 0 {8,D} - 15 R 0 {10,S} - - Cs-(Cds-Cd)(Cds-Cd)CtCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {10,S} - - Cs-(Cds-Cds)(Cds-Cds)CtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {18,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 R 0 {10,S} - - Cs-(Cds-Cdd)(Cds-Cds)CtCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {17,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {6,D} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 R 0 {10,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {17,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 R 0 {10,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {17,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 C 0 {6,D} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 R 0 {10,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CtCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {16,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {6,D} - 15 R 0 {8,D} - 16 R 0 {10,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {16,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 O 0 {8,D} - 16 R 0 {10,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {16,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 C 0 {8,D} - 16 R 0 {10,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {16,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 C 0 {6,D} - 15 C 0 {8,D} - 16 R 0 {10,S} - - Cs-CbCdsCdsCs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)CbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cd)CbCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cds)CbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - - Cs-(Cds-Od)(Cds-Cdd)CbCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)CbCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Cds)(Cds-Cds)CbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,S} {18,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - 17 R 0 {8,S} - 18 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cds)CbCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,D} - 16 R 0 {8,S} - 17 R 0 {8,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {6,D} - 16 R 0 {8,S} - 17 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 C 0 {6,D} - 16 R 0 {8,S} - 17 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CbCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,D} - 16 R 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {6,D} - 16 O 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {6,D} - 16 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 C 0 {6,D} - 16 C 0 {8,D} - - Cs-CtCtCdsCs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,S} {11,S} {12,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 C 0 {4,T} {14,S} - 10 R 0 {5,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {8,S} - 14 R 0 {9,S} - - Cs-(Cds-Od)CtCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,S} {11,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 C 0 {4,T} {14,S} - 10 R 0 {5,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {8,S} - 14 R 0 {9,S} - - Cs-(Cds-Cd)CtCtCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,S} {11,S} {12,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 C 0 {4,T} {14,S} - 10 R 0 {5,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {8,S} - 14 R 0 {9,S} - - Cs-(Cds-Cds)CtCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,S} {11,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,T} {15,S} - 9 C 0 {4,T} {16,S} - 10 R 0 {5,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {9,S} - - Cs-(Cds-Cdd)CtCtCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,S} {11,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {14,S} - 9 C 0 {4,T} {15,S} - 10 R 0 {5,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {9,S} - - Cs-(Cds-Cdd-Od)CtCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,S} {11,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {14,S} - 9 C 0 {4,T} {15,S} - 10 R 0 {5,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 O 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {9,S} - - Cs-(Cds-Cdd-Cd)CtCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,S} {11,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {14,S} - 9 C 0 {4,T} {15,S} - 10 R 0 {5,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 C 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {9,S} - - Cs-CbCtCdsCs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {10,S} - - Cs-(Cds-Od)CbCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {10,S} - - Cs-(Cds-Cd)CbCtCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {10,S} - - Cs-(Cds-Cds)CbCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {16,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {10,S} - - Cs-(Cds-Cdd)CbCtCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {15,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {6,D} - 15 R 0 {10,S} - - Cs-(Cds-Cdd-Od)CbCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {15,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 R 0 {10,S} - - Cs-(Cds-Cdd-Cd)CbCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {15,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 C 0 {6,D} - 15 R 0 {10,S} - - Cs-CbCbCdsCs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Od)CbCbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Cd)CbCbCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Cds)CbCbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - - Cs-(Cds-Cdd)CbCbCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CbCbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 C 0 {6,D} - - Cs-CtCtCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,T} - 5 C 0 {1,S} {9,S} {10,S} {11,S} - 6 C 0 {2,T} {12,S} - 7 C 0 {3,T} {13,S} - 8 C 0 {4,T} {14,S} - 9 R 0 {5,S} - 10 R 0 {5,S} - 11 R 0 {5,S} - 12 R 0 {6,S} - 13 R 0 {7,S} - 14 R 0 {8,S} - - Cs-CbCtCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,S} {11,S} {12,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {13,S} - 9 C 0 {4,T} {14,S} - 10 R 0 {5,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {8,S} - 14 R 0 {9,S} - - Cs-CbCbCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {10,S} - - Cs-CbCbCbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-CdsCdsCdsCds // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,D} - 13 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Od) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - 12 O 0 {5,D} - 13 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cd) // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,D} - 13 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {14,S} {15,S} - 13 R 0 {5,S} - 14 R 0 {12,S} - 15 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd) // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {14,D} - 13 R 0 {5,S} - 14 R 0 {12,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Od) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {14,D} - 13 R 0 {5,S} - 14 O 0 {12,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {14,D} - 13 R 0 {5,S} - 14 C 0 {12,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)(Cds-Cd) // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,D} - 13 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,S} {15,S} - 11 R 0 {4,S} - 12 C 0 {5,D} {16,S} {17,S} - 13 R 0 {5,S} - 14 R 0 {10,S} - 15 R 0 {10,S} - 16 R 0 {12,S} - 17 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cds) // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {15,S} {16,S} - 13 R 0 {5,S} - 14 R 0 {10,D} - 15 R 0 {12,S} - 16 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {15,S} {16,S} - 13 R 0 {5,S} - 14 O 0 {10,D} - 15 R 0 {12,S} - 16 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {15,S} {16,S} - 13 R 0 {5,S} - 14 C 0 {10,D} - 15 R 0 {12,S} - 16 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cdd) // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {15,D} - 13 R 0 {5,S} - 14 R 0 {10,D} - 15 R 0 {12,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {15,D} - 13 R 0 {5,S} - 14 O 0 {10,D} - 15 O 0 {12,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {15,D} - 13 R 0 {5,S} - 14 O 0 {10,D} - 15 C 0 {12,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {15,D} - 13 R 0 {5,S} - 14 C 0 {10,D} - 15 C 0 {12,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)(Cds-Cd) // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,D} - 13 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,S} {17,S} - 11 R 0 {4,S} - 12 C 0 {5,D} {18,S} {19,S} - 13 R 0 {5,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,S} - 17 R 0 {10,S} - 18 R 0 {12,S} - 19 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd) // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,S} {17,S} - 11 R 0 {4,S} - 12 C 0 {5,D} {18,D} - 13 R 0 {5,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,S} - 17 R 0 {10,S} - 18 R 0 {12,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,S} {17,S} - 11 R 0 {4,S} - 12 C 0 {5,D} {18,D} - 13 R 0 {5,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,S} - 17 R 0 {10,S} - 18 O 0 {12,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,S} {17,S} - 11 R 0 {4,S} - 12 C 0 {5,D} {18,D} - 13 R 0 {5,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,S} - 17 R 0 {10,S} - 18 C 0 {12,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {17,D} - 13 R 0 {5,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,D} - 17 R 0 {12,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {17,D} - 13 R 0 {5,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 O 0 {10,D} - 17 O 0 {12,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {17,D} - 13 R 0 {5,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 O 0 {10,D} - 17 C 0 {12,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {17,D} - 13 R 0 {5,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 C 0 {10,D} - 17 C 0 {12,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {16,D} - 13 R 0 {5,S} - 14 R 0 {8,D} - 15 R 0 {10,D} - 16 R 0 {12,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {16,D} - 13 R 0 {5,S} - 14 O 0 {8,D} - 15 O 0 {10,D} - 16 O 0 {12,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {16,D} - 13 R 0 {5,S} - 14 O 0 {8,D} - 15 O 0 {10,D} - 16 C 0 {12,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {16,D} - 13 R 0 {5,S} - 14 O 0 {8,D} - 15 C 0 {10,D} - 16 C 0 {12,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {16,D} - 13 R 0 {5,S} - 14 C 0 {8,D} - 15 C 0 {10,D} - 16 C 0 {12,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)(Cds-Cd) // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,D} - 13 R 0 {5,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,S} {19,S} - 11 R 0 {4,S} - 12 C 0 {5,D} {20,S} {21,S} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 R 0 {10,S} - 19 R 0 {10,S} - 20 R 0 {12,S} - 21 R 0 {12,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd) // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,S} {19,S} - 11 R 0 {4,S} - 12 C 0 {5,D} {20,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 R 0 {10,S} - 19 R 0 {10,S} - 20 R 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,S} {19,S} - 11 R 0 {4,S} - 12 C 0 {5,D} {20,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 R 0 {10,S} - 19 R 0 {10,S} - 20 O 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,S} {19,S} - 11 R 0 {4,S} - 12 C 0 {5,D} {20,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 R 0 {10,S} - 19 R 0 {10,S} - 20 C 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {19,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 R 0 {10,D} - 19 R 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {19,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 O 0 {10,D} - 19 O 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {19,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 O 0 {10,D} - 19 C 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {19,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 C 0 {10,D} - 19 C 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {18,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,D} - 17 R 0 {10,D} - 18 R 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {18,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 O 0 {8,D} - 17 O 0 {10,D} - 18 O 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {18,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 O 0 {8,D} - 17 O 0 {10,D} - 18 C 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {18,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 O 0 {8,D} - 17 C 0 {10,D} - 18 C 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {18,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 C 0 {8,D} - 17 C 0 {10,D} - 18 C 0 {12,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {17,D} - 13 R 0 {5,S} - 14 R 0 {6,D} - 15 R 0 {8,D} - 16 R 0 {10,D} - 17 R 0 {12,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {17,D} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 O 0 {8,D} - 16 O 0 {10,D} - 17 O 0 {12,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {17,D} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 O 0 {8,D} - 16 O 0 {10,D} - 17 C 0 {12,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {17,D} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 O 0 {8,D} - 16 C 0 {10,D} - 17 C 0 {12,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {17,D} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 C 0 {8,D} - 16 C 0 {10,D} - 17 C 0 {12,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {17,D} - 13 R 0 {5,S} - 14 C 0 {6,D} - 15 C 0 {8,D} - 16 C 0 {10,D} - 17 C 0 {12,D} - - Cs-CtCdsCdsCds // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Ct // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,S} {14,S} - 11 R 0 {4,S} - 12 C 0 {5,T} {15,S} - 13 R 0 {10,S} - 14 R 0 {10,S} - 15 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Ct // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {14,S} - 13 R 0 {10,D} - 14 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {14,S} - 13 O 0 {10,D} - 14 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {14,S} - 13 C 0 {10,D} - 14 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Ct // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,S} {16,S} - 11 R 0 {4,S} - 12 C 0 {5,T} {17,S} - 13 R 0 {8,S} - 14 R 0 {8,S} - 15 R 0 {10,S} - 16 R 0 {10,S} - 17 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Ct // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,S} {15,S} - 11 R 0 {4,S} - 12 C 0 {5,T} {16,S} - 13 R 0 {8,D} - 14 R 0 {10,S} - 15 R 0 {10,S} - 16 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,S} {15,S} - 11 R 0 {4,S} - 12 C 0 {5,T} {16,S} - 13 O 0 {8,D} - 14 R 0 {10,S} - 15 R 0 {10,S} - 16 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,S} {15,S} - 11 R 0 {4,S} - 12 C 0 {5,T} {16,S} - 13 C 0 {8,D} - 14 R 0 {10,S} - 15 R 0 {10,S} - 16 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Ct // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {15,S} - 13 R 0 {8,D} - 14 R 0 {10,D} - 15 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {15,S} - 13 O 0 {8,D} - 14 O 0 {10,D} - 15 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {15,S} - 13 O 0 {8,D} - 14 C 0 {10,D} - 15 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {15,S} - 13 C 0 {8,D} - 14 C 0 {10,D} - 15 R 0 {12,S} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Ct // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,S} {18,S} - 11 R 0 {4,S} - 12 C 0 {5,T} {19,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 R 0 {10,S} - 18 R 0 {10,S} - 19 R 0 {12,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Ct // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {18,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 R 0 {10,D} - 18 R 0 {12,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {18,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 O 0 {10,D} - 18 R 0 {12,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {18,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 C 0 {10,D} - 18 R 0 {12,S} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Ct // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {17,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,D} - 16 R 0 {10,D} - 17 R 0 {12,S} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {17,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 O 0 {8,D} - 16 O 0 {10,D} - 17 R 0 {12,S} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {17,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 O 0 {8,D} - 16 C 0 {10,D} - 17 R 0 {12,S} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {17,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 C 0 {8,D} - 16 C 0 {10,D} - 17 R 0 {12,S} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Ct // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {16,S} - 13 R 0 {6,D} - 14 R 0 {8,D} - 15 R 0 {10,D} - 16 R 0 {12,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {16,S} - 13 O 0 {6,D} - 14 O 0 {8,D} - 15 O 0 {10,D} - 16 R 0 {12,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {16,S} - 13 O 0 {6,D} - 14 O 0 {8,D} - 15 C 0 {10,D} - 16 R 0 {12,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {16,S} - 13 O 0 {6,D} - 14 C 0 {8,D} - 15 C 0 {10,D} - 16 R 0 {12,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {16,S} - 13 C 0 {6,D} - 14 C 0 {8,D} - 15 C 0 {10,D} - 16 R 0 {12,S} - - Cs-CbCdsCdsCds // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cb // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,S} {15,S} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {10,S} - 15 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cb // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {10,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {10,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 C 0 {10,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cb // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,S} {17,S} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,S} - 17 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cb // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,S} {16,S} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {8,D} - 15 R 0 {10,S} - 16 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,S} {16,S} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {8,D} - 15 R 0 {10,S} - 16 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,S} {16,S} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 C 0 {8,D} - 15 R 0 {10,S} - 16 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cb // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {8,D} - 15 R 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {8,D} - 15 O 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {8,D} - 15 C 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 C 0 {8,D} - 15 C 0 {10,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cb // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,S} {19,S} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 R 0 {10,S} - 19 R 0 {10,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cb // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 R 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 O 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 C 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cb // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,D} - 17 R 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 O 0 {8,D} - 17 O 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 O 0 {8,D} - 17 C 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 C 0 {8,D} - 17 C 0 {10,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cb // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,D} - 15 R 0 {8,D} - 16 R 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {6,D} - 15 O 0 {8,D} - 16 O 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {6,D} - 15 O 0 {8,D} - 16 C 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {6,D} - 15 C 0 {8,D} - 16 C 0 {10,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 C 0 {6,D} - 15 C 0 {8,D} - 16 C 0 {10,D} - - Cs-CtCtCdsCds // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 C 0 {5,T} {13,S} - 12 R 0 {10,S} - 13 R 0 {11,S} - - Cs-(Cds-Od)(Cds-Od)CtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 C 0 {5,T} {13,S} - 12 R 0 {10,S} - 13 R 0 {11,S} - - Cs-(Cds-Od)(Cds-Cd)CtCt // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 C 0 {5,T} {13,S} - 12 R 0 {10,S} - 13 R 0 {11,S} - - Cs-(Cds-Od)(Cds-Cds)CtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 C 0 {5,T} {15,S} - 12 R 0 {8,S} - 13 R 0 {8,S} - 14 R 0 {10,S} - 15 R 0 {11,S} - - Cs-(Cds-Od)(Cds-Cdd)CtCt // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 C 0 {5,T} {14,S} - 12 R 0 {8,D} - 13 R 0 {10,S} - 14 R 0 {11,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)CtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 C 0 {5,T} {14,S} - 12 O 0 {8,D} - 13 R 0 {10,S} - 14 R 0 {11,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 C 0 {5,T} {14,S} - 12 C 0 {8,D} - 13 R 0 {10,S} - 14 R 0 {11,S} - - Cs-(Cds-Cd)(Cds-Cd)CtCt // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 C 0 {5,T} {13,S} - 12 R 0 {10,S} - 13 R 0 {11,S} - - Cs-(Cds-Cds)(Cds-Cds)CtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {16,S} - 11 C 0 {5,T} {17,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,S} - 17 R 0 {11,S} - - Cs-(Cds-Cdd)(Cds-Cds)CtCt // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {15,S} - 11 C 0 {5,T} {16,S} - 12 R 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - 15 R 0 {10,S} - 16 R 0 {11,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {15,S} - 11 C 0 {5,T} {16,S} - 12 O 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - 15 R 0 {10,S} - 16 R 0 {11,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {15,S} - 11 C 0 {5,T} {16,S} - 12 C 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - 15 R 0 {10,S} - 16 R 0 {11,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CtCt // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 C 0 {5,T} {15,S} - 12 R 0 {6,D} - 13 R 0 {8,D} - 14 R 0 {10,S} - 15 R 0 {11,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 C 0 {5,T} {15,S} - 12 O 0 {6,D} - 13 O 0 {8,D} - 14 R 0 {10,S} - 15 R 0 {11,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 C 0 {5,T} {15,S} - 12 O 0 {6,D} - 13 C 0 {8,D} - 14 R 0 {10,S} - 15 R 0 {11,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 C 0 {5,T} {15,S} - 12 C 0 {6,D} - 13 C 0 {8,D} - 14 R 0 {10,S} - 15 R 0 {11,S} - - Cs-CbCtCdsCds // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)CbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cd)CbCt // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cds)CbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {15,S} - 13 R 0 {8,S} - 14 R 0 {8,S} - 15 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cdd)CbCt // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {14,S} - 13 R 0 {8,D} - 14 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)CbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {14,S} - 13 O 0 {8,D} - 14 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {14,S} - 13 C 0 {8,D} - 14 R 0 {12,S} - - Cs-(Cds-Cd)(Cds-Cd)CbCt // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Cds)(Cds-Cds)CbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {17,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 R 0 {12,S} - - Cs-(Cds-Cdd)(Cds-Cds)CbCt // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {16,S} - 13 R 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {12,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {16,S} - 13 O 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {12,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {16,S} - 13 C 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {12,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CbCt // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {15,S} - 13 R 0 {6,D} - 14 R 0 {8,D} - 15 R 0 {12,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {15,S} - 13 O 0 {6,D} - 14 O 0 {8,D} - 15 R 0 {12,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {15,S} - 13 O 0 {6,D} - 14 C 0 {8,D} - 15 R 0 {12,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {15,S} - 13 C 0 {6,D} - 14 C 0 {8,D} - 15 R 0 {12,S} - - Cs-CbCbCdsCds // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Od)(Cds-Od)CbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Od)(Cds-Cd)CbCb // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Od)(Cds-Cds)CbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {8,S} - 15 R 0 {8,S} - - Cs-(Cds-Od)(Cds-Cdd)CbCb // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)CbCb // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Cds)(Cds-Cds)CbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cds)CbCb // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,D} - 15 R 0 {8,S} - 16 R 0 {8,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {6,D} - 15 R 0 {8,S} - 16 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 C 0 {6,D} - 15 R 0 {8,S} - 16 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CbCb // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,D} - 15 R 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {6,D} - 15 O 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {6,D} - 15 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 C 0 {6,D} - 15 C 0 {8,D} - - Cs-CtCtCtCds // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,T} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,T} {12,S} - 10 C 0 {5,T} {13,S} - 11 R 0 {8,S} - 12 R 0 {9,S} - 13 R 0 {10,S} - - Cs-(Cds-Od)CtCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,T} {12,S} - 10 C 0 {5,T} {13,S} - 11 R 0 {8,S} - 12 R 0 {9,S} - 13 R 0 {10,S} - - Cs-(Cds-Cd)CtCtCt // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,T} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,T} {12,S} - 10 C 0 {5,T} {13,S} - 11 R 0 {8,S} - 12 R 0 {9,S} - 13 R 0 {10,S} - - Cs-(Cds-Cds)CtCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,T} - 6 C 0 {2,D} {11,S} {12,S} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 C 0 {4,T} {14,S} - 10 C 0 {5,T} {15,S} - 11 R 0 {6,S} - 12 R 0 {6,S} - 13 R 0 {8,S} - 14 R 0 {9,S} - 15 R 0 {10,S} - - Cs-(Cds-Cdd)CtCtCt // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,T} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 C 0 {4,T} {13,S} - 10 C 0 {5,T} {14,S} - 11 R 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {9,S} - 14 R 0 {10,S} - - Cs-(Cds-Cdd-Od)CtCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,T} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 C 0 {4,T} {13,S} - 10 C 0 {5,T} {14,S} - 11 O 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {9,S} - 14 R 0 {10,S} - - Cs-(Cds-Cdd-Cd)CtCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,T} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 C 0 {4,T} {13,S} - 10 C 0 {5,T} {14,S} - 11 C 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {9,S} - 14 R 0 {10,S} - - Cs-CbCtCtCds // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {12,S} - 11 C 0 {5,T} {13,S} - 12 R 0 {10,S} - 13 R 0 {11,S} - - Cs-(Cds-Od)CbCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {12,S} - 11 C 0 {5,T} {13,S} - 12 R 0 {10,S} - 13 R 0 {11,S} - - Cs-(Cds-Cd)CbCtCt // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {12,S} - 11 C 0 {5,T} {13,S} - 12 R 0 {10,S} - 13 R 0 {11,S} - - Cs-(Cds-Cds)CbCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {14,S} - 11 C 0 {5,T} {15,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {10,S} - 15 R 0 {11,S} - - Cs-(Cds-Cdd)CbCtCt // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {13,S} - 11 C 0 {5,T} {14,S} - 12 R 0 {6,D} - 13 R 0 {10,S} - 14 R 0 {11,S} - - Cs-(Cds-Cdd-Od)CbCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {13,S} - 11 C 0 {5,T} {14,S} - 12 O 0 {6,D} - 13 R 0 {10,S} - 14 R 0 {11,S} - - Cs-(Cds-Cdd-Cd)CbCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {13,S} - 11 C 0 {5,T} {14,S} - 12 C 0 {6,D} - 13 R 0 {10,S} - 14 R 0 {11,S} - - Cs-CbCbCtCds // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Od)CbCbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Cd)CbCbCt // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Cds)CbCbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {15,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {12,S} - - Cs-(Cds-Cdd)CbCbCt // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {14,S} - 13 R 0 {6,D} - 14 R 0 {12,S} - - Cs-(Cds-Cdd-Od)CbCbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {14,S} - 13 O 0 {6,D} - 14 R 0 {12,S} - - Cs-(Cds-Cdd-Cd)CbCbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {14,S} - 13 C 0 {6,D} - 14 R 0 {12,S} - - Cs-CbCbCbCds // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Od)CbCbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Cd)CbCbCb // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Cds)CbCbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,S} - 15 R 0 {6,S} - - Cs-(Cds-Cdd)CbCbCb // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CbCbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 C 0 {6,D} - - Cs-CtCtCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,T} - 5 C 0 {1,S} {9,T} - 6 C 0 {2,T} {10,S} - 7 C 0 {3,T} {11,S} - 8 C 0 {4,T} {12,S} - 9 C 0 {5,T} {13,S} - 10 R 0 {6,S} - 11 R 0 {7,S} - 12 R 0 {8,S} - 13 R 0 {9,S} - - Cs-CbCtCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,T} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,T} {12,S} - 10 C 0 {5,T} {13,S} - 11 R 0 {8,S} - 12 R 0 {9,S} - 13 R 0 {10,S} - - Cs-CbCbCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {12,S} - 11 C 0 {5,T} {13,S} - 12 R 0 {10,S} - 13 R 0 {11,S} - - Cs-CbCbCbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-CbCbCbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-CCCOs // L3 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 C 0 {1,S} - 5 O 0 {1,S} {6,S} - 6 R 0 {5,S} - - Cs-CsCsCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,S} {7,S} {8,S} - 3 C 0 {1,S} {9,S} {10,S} {11,S} - 4 C 0 {1,S} {12,S} {13,S} {14,S} - 5 O 0 {1,S} {15,S} - 6 R 0 {2,S} - 7 R 0 {2,S} - 8 R 0 {2,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {3,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {4,S} - 15 R 0 {5,S} - - Cs-CdsCsCsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 O 0 {1,S} {14,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - - Cs-(Cds-Od)CsCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 O 0 {1,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - - Cs-(Cds-Cd)CsCsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 O 0 {1,S} {14,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - - Cs-(Cds-Cds)CsCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 O 0 {1,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - - Cs-(Cds-Cdd)CsCsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 O 0 {1,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CsCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 O 0 {1,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 O 0 {1,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 C 0 {6,D} - - Cs-OsCtCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 O 0 {1,S} {6,S} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 R 0 {2,S} - 7 C 0 {3,T} {14,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {7,S} - - Cs-CbCsCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 O 0 {1,S} {14,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - - Cs-CdsCdsCsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)CsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cd)CsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cds)CsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - - Cs-(Cds-Od)(Cds-Cdd)CsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 O 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)CsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - - Cs-(Cds-Cds)(Cds-Cds)CsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cds)CsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {6,D} - 15 R 0 {8,S} - 16 R 0 {8,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 R 0 {8,S} - 16 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 C 0 {6,D} - 15 R 0 {8,S} - 16 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {6,D} - 15 R 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 O 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 C 0 {6,D} - 15 C 0 {8,D} - - Cs-CtCdsCsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {8,S} - - Cs-(Cds-Od)CtCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {8,S} - - Cs-(Cds-Cd)CtCsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {8,S} - - Cs-(Cds-Cds)CtCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,T} {15,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - - Cs-(Cds-Cdd)CtCsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {14,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,D} - 14 R 0 {8,S} - - Cs-(Cds-Cdd-Od)CtCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {14,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 O 0 {6,D} - 14 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)CtCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {14,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 C 0 {6,D} - 14 R 0 {8,S} - - Cs-CbCdsCsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - - Cs-(Cds-Od)CbCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - - Cs-(Cds-Cd)CbCsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - - Cs-(Cds-Cds)CbCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - - Cs-(Cds-Cdd)CbCsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CbCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 C 0 {6,D} - - Cs-CtCtCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,T} {12,S} - 7 C 0 {3,T} {13,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {6,S} - 13 R 0 {7,S} - - Cs-CbCtCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {13,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {8,S} - - Cs-CbCbCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - - Cs-CdsCdsCdsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Os // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,S} {14,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {10,S} - 14 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Os // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {10,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 O 0 {10,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 C 0 {10,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Os // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,S} {16,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {8,S} - 14 R 0 {8,S} - 15 R 0 {10,S} - 16 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Os // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,S} {15,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {8,D} - 14 R 0 {10,S} - 15 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,S} {15,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 O 0 {8,D} - 14 R 0 {10,S} - 15 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,S} {15,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 C 0 {8,D} - 14 R 0 {10,S} - 15 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Os // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {8,D} - 14 R 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 O 0 {8,D} - 14 O 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 O 0 {8,D} - 14 C 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 C 0 {8,D} - 14 C 0 {10,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Os // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,S} {18,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 R 0 {10,S} - 18 R 0 {10,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Os // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 R 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 O 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 C 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Os // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,D} - 16 R 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 O 0 {8,D} - 16 O 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 O 0 {8,D} - 16 C 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 C 0 {8,D} - 16 C 0 {10,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Os // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,D} - 14 R 0 {8,D} - 15 R 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 O 0 {6,D} - 14 O 0 {8,D} - 15 O 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 O 0 {6,D} - 14 O 0 {8,D} - 15 C 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 O 0 {6,D} - 14 C 0 {8,D} - 15 C 0 {10,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 C 0 {6,D} - 14 C 0 {8,D} - 15 C 0 {10,D} - - Cs-CtCdsCdsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 R 0 {5,S} - 12 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Od)CtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 R 0 {5,S} - 12 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cd)CtOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 R 0 {5,S} - 12 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cds)CtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {8,S} - 13 R 0 {8,S} - 14 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)CtOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 R 0 {5,S} - 12 R 0 {8,D} - 13 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)CtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 R 0 {5,S} - 12 O 0 {8,D} - 13 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 R 0 {5,S} - 12 C 0 {8,D} - 13 R 0 {10,S} - - Cs-(Cds-Cd)(Cds-Cd)CtOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 R 0 {5,S} - 12 R 0 {10,S} - - Cs-(Cds-Cds)(Cds-Cds)CtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {16,S} - 11 R 0 {5,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,S} - - Cs-(Cds-Cdd)(Cds-Cds)CtOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {15,S} - 11 R 0 {5,S} - 12 R 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - 15 R 0 {10,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {15,S} - 11 R 0 {5,S} - 12 O 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - 15 R 0 {10,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {15,S} - 11 R 0 {5,S} - 12 C 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - 15 R 0 {10,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CtOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {6,D} - 13 R 0 {8,D} - 14 R 0 {10,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 O 0 {6,D} - 13 O 0 {8,D} - 14 R 0 {10,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 O 0 {6,D} - 13 C 0 {8,D} - 14 R 0 {10,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 C 0 {6,D} - 13 C 0 {8,D} - 14 R 0 {10,S} - - Cs-CbCdsCdsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)CbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cd)CbOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cds)CbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {8,S} - 14 R 0 {8,S} - - Cs-(Cds-Od)(Cds-Cdd)CbOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 O 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)CbOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - - Cs-(Cds-Cds)(Cds-Cds)CbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cds)CbOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {8,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 O 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 C 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CbOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {6,D} - 14 R 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 O 0 {6,D} - 14 O 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 O 0 {6,D} - 14 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 C 0 {6,D} - 14 C 0 {8,D} - - Cs-CtCtCdsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 O 0 {1,S} {10,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,T} {12,S} - 10 R 0 {5,S} - 11 R 0 {8,S} - 12 R 0 {9,S} - - Cs-(Cds-Od)CtCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 O 0 {1,S} {10,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,T} {12,S} - 10 R 0 {5,S} - 11 R 0 {8,S} - 12 R 0 {9,S} - - Cs-(Cds-Cd)CtCtOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,T} {12,S} - 10 R 0 {5,S} - 11 R 0 {8,S} - 12 R 0 {9,S} - - Cs-(Cds-Cds)CtCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,S} {12,S} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 C 0 {4,T} {14,S} - 10 R 0 {5,S} - 11 R 0 {6,S} - 12 R 0 {6,S} - 13 R 0 {8,S} - 14 R 0 {9,S} - - Cs-(Cds-Cdd)CtCtOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 C 0 {4,T} {13,S} - 10 R 0 {5,S} - 11 R 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {9,S} - - Cs-(Cds-Cdd-Od)CtCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 C 0 {4,T} {13,S} - 10 R 0 {5,S} - 11 O 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {9,S} - - Cs-(Cds-Cdd-Cd)CtCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 C 0 {4,T} {13,S} - 10 R 0 {5,S} - 11 C 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {9,S} - - Cs-CbCtCdsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {12,S} - 11 R 0 {5,S} - 12 R 0 {10,S} - - Cs-(Cds-Od)CbCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {12,S} - 11 R 0 {5,S} - 12 R 0 {10,S} - - Cs-(Cds-Cd)CbCtOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {12,S} - 11 R 0 {5,S} - 12 R 0 {10,S} - - Cs-(Cds-Cds)CbCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {10,S} - - Cs-(Cds-Cdd)CbCtOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {13,S} - 11 R 0 {5,S} - 12 R 0 {6,D} - 13 R 0 {10,S} - - Cs-(Cds-Cdd-Od)CbCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {13,S} - 11 R 0 {5,S} - 12 O 0 {6,D} - 13 R 0 {10,S} - - Cs-(Cds-Cdd-Cd)CbCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {13,S} - 11 R 0 {5,S} - 12 C 0 {6,D} - 13 R 0 {10,S} - - Cs-CbCbCdsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - - Cs-(Cds-Od)CbCbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - - Cs-(Cds-Cd)CbCbOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - - Cs-(Cds-Cds)CbCbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - - Cs-(Cds-Cdd)CbCbOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CbCbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 C 0 {6,D} - - Cs-CtCtCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,T} - 5 O 0 {1,S} {9,S} - 6 C 0 {2,T} {10,S} - 7 C 0 {3,T} {11,S} - 8 C 0 {4,T} {12,S} - 9 R 0 {5,S} - 10 R 0 {6,S} - 11 R 0 {7,S} - 12 R 0 {8,S} - - Cs-CbCtCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,T} {12,S} - 10 R 0 {5,S} - 11 R 0 {8,S} - 12 R 0 {9,S} - - Cs-CbCbCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {12,S} - 11 R 0 {5,S} - 12 R 0 {10,S} - - Cs-CbCbCbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - - Cs-CCOsOs // L3 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 O 0 {1,S} {6,S} - 5 O 0 {1,S} {7,S} - 6 R 0 {4,S} - 7 R 0 {5,S} - - Cs-CsCsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,S} {7,S} {8,S} - 3 C 0 {1,S} {9,S} {10,S} {11,S} - 4 O 0 {1,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 R 0 {2,S} - 7 R 0 {2,S} - 8 R 0 {2,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {3,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - - Cs-CdsCsOsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - - Cs-(Cds-Od)CsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - - Cs-(Cds-Cd)CsOsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - - Cs-(Cds-Cds)CsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - - Cs-(Cds-Cdd)CsOsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 C 0 {6,D} - - Cs-CdsCdsOsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)OsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cd)OsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cds)OsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {8,S} - 13 R 0 {8,S} - - Cs-(Cds-Od)(Cds-Cdd)OsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)OsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 O 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)OsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)OsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - - Cs-(Cds-Cds)(Cds-Cds)OsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cds)OsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 O 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)OsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 C 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cdd)OsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {6,D} - 13 R 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 O 0 {6,D} - 13 O 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 O 0 {6,D} - 13 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 C 0 {6,D} - 13 C 0 {8,D} - - Cs-CtCsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,S} {8,S} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,T} {12,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {6,S} - - Cs-CtCdsOsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 R 0 {8,S} - - Cs-(Cds-Od)CtOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 R 0 {8,S} - - Cs-(Cds-Cd)CtOsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 R 0 {8,S} - - Cs-(Cds-Cds)CtOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,S} {12,S} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 R 0 {6,S} - 12 R 0 {6,S} - 13 R 0 {8,S} - - Cs-(Cds-Cdd)CtOsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 R 0 {6,D} - 12 R 0 {8,S} - - Cs-(Cds-Cdd-Od)CtOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 O 0 {6,D} - 12 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)CtOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 C 0 {6,D} - 12 R 0 {8,S} - - Cs-CtCtOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 O 0 {1,S} {8,S} - 5 O 0 {1,S} {9,S} - 6 C 0 {2,T} {10,S} - 7 C 0 {3,T} {11,S} - 8 R 0 {4,S} - 9 R 0 {5,S} - 10 R 0 {6,S} - 11 R 0 {7,S} - - Cs-CbCsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - - Cs-CbCdsOsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {5,S} - - Cs-(Cds-Od)CbOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {5,S} - - Cs-(Cds-Cd)CbOsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {5,S} - - Cs-(Cds-Cds)CbOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - - Cs-(Cds-Cdd)CbOsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CbOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 C 0 {6,D} - - Cs-CbCtOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {11,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 R 0 {8,S} - - Cs-CbCbOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {5,S} - - Cs-COsOsOs // L3 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 O 0 {1,S} {6,S} - 4 O 0 {1,S} {7,S} - 5 O 0 {1,S} {8,S} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 R 0 {5,S} - - Cs-CsOsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,S} {7,S} {8,S} - 3 O 0 {1,S} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 R 0 {2,S} - 7 R 0 {2,S} - 8 R 0 {2,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - - Cs-CdsOsOsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - - Cs-(Cds-Od)OsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - - Cs-(Cds-Cd)OsOsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - - Cs-(Cds-Cds)OsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,S} {12,S} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 R 0 {6,S} - 12 R 0 {6,S} - - Cs-(Cds-Cdd)OsOsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 R 0 {6,D} - - Cs-(Cds-Cdd-Od)OsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)OsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 C 0 {6,D} - - Cs-CtOsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 O 0 {1,S} {7,S} - 4 O 0 {1,S} {8,S} - 5 O 0 {1,S} {9,S} - 6 C 0 {2,T} {10,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {5,S} - 10 R 0 {6,S} - - Cs-CbOsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - - Cs-OsOsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 O 0 {1,S} {6,S} - 3 O 0 {1,S} {7,S} - 4 O 0 {1,S} {8,S} - 5 O 0 {1,S} {9,S} - 6 R 0 {2,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {5,S} - - Cs-COsOsH // L3 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 O 0 {1,S} {6,S} - 4 O 0 {1,S} {7,S} - 5 H 0 {1,S} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Cs-CsOsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,S} {7,S} {8,S} - 3 O 0 {1,S} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 R 0 {2,S} - 7 R 0 {2,S} - 8 R 0 {2,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - - Cs-CdsOsOsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - - Cs-(Cds-Od)OsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - - Cs-(Cds-Cd)OsOsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - - Cs-(Cds-Cds)OsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,S} {11,S} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {6,S} - - Cs-(Cds-Cdd)OsOsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {6,D} - - Cs-(Cds-Cdd-Od)OsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)OsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 C 0 {6,D} - - Cs-CtOsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 O 0 {1,S} {7,S} - 4 O 0 {1,S} {8,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {9,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {6,S} - - Cs-CbOsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 R 0 {3,S} - 9 R 0 {4,S} - - Cs-CCOsH // L3 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 O 0 {1,S} {6,S} - 5 H 0 {1,S} - 6 R 0 {4,S} - - Cs-CsCsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,S} {7,S} {8,S} - 3 C 0 {1,S} {9,S} {10,S} {11,S} - 4 O 0 {1,S} {12,S} - 5 H 0 {1,S} - 6 R 0 {2,S} - 7 R 0 {2,S} - 8 R 0 {2,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {3,S} - 12 R 0 {4,S} - - Cs-CdsCsOsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - - Cs-(Cds-Od)CsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - - Cs-(Cds-Cd)CsOsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - - Cs-(Cds-Cds)CsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - - Cs-(Cds-Cdd)CsOsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 C 0 {6,D} - - Cs-CdsCdsOsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - - Cs-(Cds-Od)(Cds-Od)OsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - - Cs-(Cds-Od)(Cds-Cd)OsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - - Cs-(Cds-Od)(Cds-Cds)OsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,S} {12,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {8,S} - 12 R 0 {8,S} - - Cs-(Cds-Od)(Cds-Cdd)OsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)OsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 O 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)OsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)OsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - - Cs-(Cds-Cds)(Cds-Cds)OsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,S} {12,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {6,S} - 12 R 0 {6,S} - 13 R 0 {8,S} - 14 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cds)OsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {8,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)OsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 O 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)OsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 C 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cdd)OsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {6,D} - 12 R 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 O 0 {6,D} - 12 O 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 O 0 {6,D} - 12 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 C 0 {6,D} - 12 C 0 {8,D} - - Cs-CtCsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,S} {8,S} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {11,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {6,S} - - Cs-CtCdsOsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {10,S} - 9 R 0 {4,S} - 10 R 0 {8,S} - - Cs-(Cds-Od)CtOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {10,S} - 9 R 0 {4,S} - 10 R 0 {8,S} - - Cs-(Cds-Cd)CtOsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {10,S} - 9 R 0 {4,S} - 10 R 0 {8,S} - - Cs-(Cds-Cds)CtOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,S} {11,S} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {6,S} - 12 R 0 {8,S} - - Cs-(Cds-Cdd)CtOsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 R 0 {4,S} - 10 R 0 {6,D} - 11 R 0 {8,S} - - Cs-(Cds-Cdd-Od)CtOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 R 0 {4,S} - 10 O 0 {6,D} - 11 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)CtOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 R 0 {4,S} - 10 C 0 {6,D} - 11 R 0 {8,S} - - Cs-CtCtOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 O 0 {1,S} {8,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {9,S} - 7 C 0 {3,T} {10,S} - 8 R 0 {4,S} - 9 R 0 {6,S} - 10 R 0 {7,S} - - Cs-CbCsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - - Cs-CbCdsOsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - - Cs-(Cds-Od)CbOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - - Cs-(Cds-Cd)CbOsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - - Cs-(Cds-Cds)CbOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,S} {12,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {6,S} - 12 R 0 {6,S} - - Cs-(Cds-Cdd)CbOsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CbOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 C 0 {6,D} - - Cs-CbCtOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {10,S} - 9 R 0 {4,S} - 10 R 0 {8,S} - - Cs-CbCbOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - - Cs-COsHH // L3 Node -1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 O 0 {1,S} {6,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {3,S} - - - Cs-CsOsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,S} {7,S} {8,S} - 3 O 0 {1,S} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,S} - 7 R 0 {2,S} - 8 R 0 {2,S} - 9 R 0 {3,S} - - Cs-CdsOsHH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - - Cs-(Cds-Od)OsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - - Cs-(Cds-Cd)OsHH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - - Cs-(Cds-Cds)OsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {9,S} {10,S} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {6,S} - 10 R 0 {6,S} - - Cs-(Cds-Cdd)OsHH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {9,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {6,D} - - Cs-(Cds-Cdd-Od)OsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {9,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)OsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {9,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 C 0 {6,D} - - Cs-CtOsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 O 0 {1,S} {7,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {8,S} - 7 R 0 {3,S} - 8 R 0 {6,S} - - Cs-CbOsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 O 0 {1,S} {8,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 R 0 {3,S} - -////////////////////////////////////////////////////////////////// -// Oxygen adjacency List -// Joanna Yu -// Oct. 30, 2002 -// -// Jing Song: get rid of the dots following the index -// Nov 7, 2002 -////////////////////////////////////////////////////////////////// - - O // L1 Node - 1 * O 0 - - Od // L2 Node - 1 * O 0 {2,D} - 2 R 0 {1,D} - - Od-Cd // This group is not defined here. C should be the central atom. - 1 * O 0 {2,D} - 2 C 0 {1,D} - - Od-Od - 1 * O 0 {2,D} - 2 O 0 {1,D} - - Os // L2 Node - 1 * O 0 {2,S} {3,S} - 2 R 0 {1,S} - 3 R 0 {1,S} - - Os-HH - 1 * O 0 {2,S} {3,S} - 2 H 0 {1,S} - 3 H 0 {1,S} - - Os-OsH - 1 * O 0 {2,S} {3,S} - 2 O 0 {1,S} - 3 H 0 {1,S} - - Os-OsOs - 1 * O 0 {2,S} {3,S} - 2 O 0 {1,S} - 3 O 0 {1,S} - - Os-CH // L3 Node - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 H 0 {1,S} - - Os-CtH - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,T} - 3 H 0 {1,S} - 4 C 0 {2,T} {5,S} - 5 R 0 {4,S} - - Os-CdsH // L4 Node - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,D} {5,S} - 3 H 0 {1,S} - 4 R 0 {2,D} - 5 R 0 {2,S} - - Os-(Cds-Od)H - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,D} {5,S} - 3 H 0 {1,S} - 4 O 0 {2,D} - 5 R 0 {2,S} - - Os-(Cds-Cd)H - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,D} {5,S} - 3 H 0 {1,S} - 4 C 0 {2,D} - 5 R 0 {2,S} - - Os-CsH - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,S} {5,S} {6,S} - 3 H 0 {1,S} - 4 R 0 {2,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - - Os-CbH - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,B} {5,B} - 3 H 0 {1,S} - 4 C 0 {2,B} - 5 C 0 {2,B} - - Os-OsC // L3 Node - 1 * O 0 {2,S} {3,S} - 2 O 0 {1,S} - 3 C 0 {1,S} - - Os-OsCt - 1 * O 0 {2,S} {3,S} - 2 O 0 {1,S} {4,S} - 3 C 0 {1,S} {5,T} - 4 R 0 {2,S} - 5 C 0 {2,T} {6,S} - 6 R 0 {5,S} - - Os-OsCds // L4 Node - 1 * O 0 {2,S} {3,S} - 2 O 0 {1,S} {4,S} - 3 C 0 {1,S} {5,D} {6,S} - 4 R 0 {2,S} - 5 R 0 {3,D} - 6 R 0 {3,S} - - Os-Os(Cds-Od) - 1 * O 0 {2,S} {3,S} - 2 O 0 {1,S} {4,S} - 3 C 0 {1,S} {5,D} {6,S} - 4 R 0 {2,S} - 5 O 0 {3,D} - 6 R 0 {3,S} - - Os-Os(Cds-Cd) - 1 * O 0 {2,S} {3,S} - 2 O 0 {1,S} {4,S} - 3 C 0 {1,S} {5,D} {6,S} - 4 R 0 {2,S} - 5 C 0 {3,D} - 6 R 0 {3,S} - - Os-OsCs - 1 * O 0 {2,S} {3,S} - 2 O 0 {1,S} {4,S} - 3 C 0 {1,S} {5,S} {6,S} {7,S} - 4 R 0 {2,S} - 5 R 0 {3,S} - 6 R 0 {3,S} - 7 R 0 {3,S} - - Os-OsCb - 1 * O 0 {2,S} {3,S} - 2 O 0 {1,S} {4,S} - 3 C 0 {1,S} {5,B} {6,B} - 4 R 0 {2,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - - Os-CC // L3 Node - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - - Os-CtCt - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,T} - 3 C 0 {1,S} {5,T} - 4 C 0 {2,T} {6,S} - 5 C 0 {3,T} {7,S} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Os-CtCds // L4 Node - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,T} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {2,T} {7,S} - 5 R 0 {3,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Os-Ct(Cds-Od) - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,T} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {2,T} {7,S} - 5 O 0 {3,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Os-Ct(Cds-Cd) - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,T} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {2,T} {7,S} - 5 C 0 {3,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Os-CtCs - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,T} - 3 C 0 {1,S} {5,S} {6,S} {7,S} - 4 C 0 {2,T} {8,S} - 5 R 0 {3,S} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - - Os-CtCb - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,T} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {2,T} {7,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 R 0 {4,S} - - Os-CdsCds // L4 Node - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,D} {5,S} - 3 C 0 {1,S} {6,D} {7,S} - 4 R 0 {2,D} - 5 R 0 {2,S} - 6 R 0 {3,D} - 7 R 0 {3,S} - - Os-(Cds-Od)(Cds-Od) - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,D} {5,S} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {2,D} - 5 R 0 {2,S} - 6 O 0 {3,D} - 7 R 0 {3,S} - - Os-(Cds-Od)(Cds-Cd) - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,D} {5,S} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {2,D} - 5 R 0 {2,S} - 6 C 0 {3,D} - 7 R 0 {3,S} - - Os-(Cds-Cd)(Cds-Cd) - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,D} {5,S} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {2,D} - 5 R 0 {2,S} - 6 C 0 {3,D} - 7 R 0 {3,S} - - Os-CdsCs // L4 Node - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,S} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 R 0 {2,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,D} - 8 R 0 {3,S} - - Os-Cs(Cds-Od) - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,S} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 R 0 {2,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 O 0 {3,D} - 8 R 0 {3,S} - - Os-Cs(Cds-Cd) - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,S} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 R 0 {2,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} - 8 R 0 {3,S} - - Os-CdsCb // L4 Node - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,B} {5,B} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {2,B} - 5 C 0 {2,B} - 6 R 0 {3,D} - 7 R 0 {3,S} - - Os-Cb(Cds-Od) - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,B} {5,B} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {2,B} - 5 C 0 {2,B} - 6 O 0 {3,D} - 7 R 0 {3,S} - - Os-Cb(Cds-Cd) - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,B} {5,B} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {2,B} - 5 C 0 {2,B} - 6 C 0 {3,D} - 7 R 0 {3,S} - - Os-CsCs - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,S} {5,S} {6,S} - 3 C 0 {1,S} {7,S} {8,S} {9,S} - 4 R 0 {2,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - - Os-CsCb - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,S} {5,S} {6,S} - 3 C 0 {1,S} {7,B} {8,B} - 4 R 0 {2,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 C 0 {3,B} - - Os-CbCb - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,B} {5,B} - 3 C 0 {1,S} {6,B} {7,B} - 4 R 0 {2,B} - 5 R 0 {2,B} - 6 C 0 {3,B} - 7 C 0 {3,B} diff --git a/output/RMG_database_sulfur/thermo_groups/backup/Group_Dictionary.txt b/output/RMG_database_sulfur/thermo_groups/backup/Group_Dictionary.txt deleted file mode 100644 index de7a01dc44..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/backup/Group_Dictionary.txt +++ /dev/null @@ -1,15738 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// Adjacency List -// -// Jing Song: combine Joanna's carbon adjList "CarbonDictionary_021029.txt" and oxygen adjList in "OxygendictionaryLibrary_021029" -// Nov 7, 2002 -// Jing Song: get rid of the dots following the index -// Nov 7, 2002 -// -///////////////////////////////////////////////////////////////////// - -///////////////////////////////////////////////////////////////////// -// Carbon Adjacency List -// -// Joanna Yu, Nov 10, 2002: include the description of nodes -// -// Joanna Yu -// Oct 29, 2002 -// -// Jing Song: get rid of "BF" bond type -// Dec 02, 2002 -// -// Jing Song: fix some errors in connectivity, this is the final correct version!! -// Jan 07, 2003 -// -///////////////////////////////////////////////////////////////////// - - R - 1 * R 0 - -// Carbon adjList - - C // L1 Node - 1 * C 0 - - Cbf // L2 Node - 1 * C 0 {2,B} {3,B} {4,B} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,B} - - - Cbf-CbCbCbf - 1 * C 0 {2,B} {3,B} {4,B} - 2 C 0 {1,B} {5,B} {6,S} - 3 C 0 {1,B} {7,B} {8,S} - 4 C 0 {1,B} {9,B} {10,B} - 5 C 0 {2,B} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 R 0 {3,S} - 9 C 0 {4,B} - 10 C 0 {4,B} - - - Cbf-CbCbfCbf - 1 * C 0 {2,B} {3,B} {4,B} - 2 C 0 {1,B} {5,B} {6,S} - 3 C 0 {1,B} {7,B} {8,B} - 4 C 0 {1,B} {9,B} {10,B} - 5 C 0 {2,B} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 C 0 {3,B} - 9 C 0 {4,B} - 10 C 0 {4,B} - - Cbf-CbfCbfCbf - 1 * C 0 {2,B} {3,B} {4,B} - 2 C 0 {1,B} {5,B} {6,B} - 3 C 0 {1,B} {7,B} {8,B} - 4 C 0 {1,B} {9,B} {10,B} - 5 C 0 {2,B} - 6 C 0 {2,B} - 7 C 0 {3,B} - 8 C 0 {3,B} - 9 C 0 {4,B} - 10 C 0 {4,B} - - Cb // L2 Node - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 R 0 {1,S} - - Cb-H - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 H 0 {1,S} - - Cb-Os - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 O 0 {1,S} - - Cb-C // L3 node - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} - - Cb-Cs - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} {5,S} {6,S} {7,S} - 5 R 0 {4,S} - 6 R 0 {4,S} - 7 R 0 {4,S} - - Cb-Cds // L4 node - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} {5,D} {6,S} - 5 R 0 {4,D} - 6 R 0 {4,S} - - Cb-(Cds-Od) - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} {5,D} {6,S} - 5 O 0 {4,D} - 6 R 0 {4,S} - - Cb-(Cds-Cd) // L5 node - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} {5,D} {6,S} - 5 C 0 {4,D} - 6 R 0 {4,S} - - Cb-(Cds-Cds) - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} {5,D} {6,S} - 5 C 0 {4,D} {7,S} {8,S} - 6 R 0 {4,S} - 7 R 0 {5,S} - 8 R 0 {5,S} - - Cb-(Cds-Cdd) // L6 node - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} {5,D} {6,S} - 5 C 0 {4,D} {7,D} - 6 R 0 {4,S} - 7 R 0 {5,D} - - Cb-(Cds-Cdd-Od) - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} {5,D} {6,S} - 5 C 0 {4,D} {7,D} - 6 R 0 {4,S} - 7 O 0 {5,D} - - Cb-(Cds-Cdd-Cd) - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} {5,D} {6,S} - 5 C 0 {4,D} {7,D} - 6 R 0 {4,S} - 7 C 0 {5,D} - - Cb-Ct - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} {5,T} - 5 C 0 {4,T} - - Cb-Cb - 1 * C 0 {2,B} {3,B} {4,S} - 2 C 0 {1,B} - 3 C 0 {1,B} - 4 C 0 {1,S} {5,B} {6,B} - 5 C 0 {4,B} - 6 C 0 {4,B} - - Ct // L2 Node - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 R 0 {1,S} - 4 R 0 {2,S} - - Ct-H - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 H 0 {1,S} - 4 R 0 {2,S} - - Ct-Os - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 O 0 {1,S} {5,S} - 4 R 0 {2,S} - 5 R 0 {3,S} - - Ct-C // L3 Node - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} - 4 R 0 {2,S} - - Ct-Cs - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} {5,S} {6,S} {7,S} - 4 R 0 {2,S} - 5 R 0 {3,S} - 6 R 0 {3,S} - 7 R 0 {3,S} - - Ct-Cds // L4 Node - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} {5,D} {6,S} - 4 R 0 {2,S} - 5 R 0 {3,D} - 6 R 0 {3,S} - - Ct-(Cds-Od) - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} {5,D} {6,S} - 4 R 0 {2,S} - 5 O 0 {3,D} - 6 R 0 {3,S} - - Ct-(Cds-Cd) // L5 Node - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} {5,D} {6,S} - 4 R 0 {2,S} - 5 C 0 {3,D} - 6 R 0 {3,S} - - Ct-(Cds-Cds) - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} {5,D} {6,S} - 4 R 0 {2,S} - 5 C 0 {3,D} {7,S} {8,S} - 6 R 0 {3,S} - 7 R 0 {5,S} - 8 R 0 {5,S} - - Ct-(Cds-Cdd) // L6 Node - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} {5,D} {6,S} - 4 R 0 {2,S} - 5 C 0 {3,D} {7,D} - 6 R 0 {3,S} - 7 R 0 {5,D} - - Ct-(Cds-Cdd-Od) - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} {5,D} {6,S} - 4 R 0 {2,S} - 5 C 0 {3,D} {7,D} - 6 R 0 {3,S} - 7 O 0 {5,D} - - Ct-(Cds-Cdd-Cd) - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} {5,D} {6,S} - 4 R 0 {2,S} - 5 C 0 {3,D} {7,D} - 6 R 0 {3,S} - 7 C 0 {5,D} - - Ct-Ct - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} {5,T} - 4 R 0 {2,S} - 5 C 0 {3,T} {6,S} - 6 R 0 {5,S} - - Ct-Cb - 1 * C 0 {2,T} {3,S} - 2 C 0 {1,T} {4,S} - 3 C 0 {1,S} {5,B} {6,B} - 4 R 0 {2,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - - Cdd // L2 Node - 1 * C 0 {2,D} {3,D} - 2 R 0 {1,D} - 3 R 0 {1,D} - - Cdd-OdOd - 1 * C 0 {2,D} {3,D} - 2 O 0 {1,D} - 3 O 0 {1,D} - - Cdd-CdOd // L3 Node - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} - 3 O 0 {1,D} - - Cdd-CdsOd - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,S} {5,S} - 3 O 0 {1,D} - 4 R 0 {2,S} - 5 R 0 {2,S} - - Cdd-CddOd // L4 Node - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,D} - 3 O 0 {1,D} - 4 R 0 {2,D} - - Cdd-(Cdd-Od)Od - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,D} - 3 O 0 {1,D} - 4 O 0 {2,D} - - Cdd-(Cdd-Cd)Od - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,D} - 3 O 0 {1,D} - 4 C 0 {2,D} - - Cdd-CdCd // L3 Node - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} - 3 C 0 {1,D} - - Cdd-CddCdd // L4 Node - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,D} - 3 C 0 {1,D} {5,D} - 4 R 0 {2,D} - 5 R 0 {3,D} - - Cdd-(Cdd-Od)(Cdd-Od) - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,D} - 3 C 0 {1,D} {5,D} - 4 O 0 {2,D} - 5 O 0 {3,D} - - Cdd-(Cdd-Od)(Cdd-Cd) - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,D} - 3 C 0 {1,D} {5,D} - 4 O 0 {2,D} - 5 C 0 {3,D} - - Cdd-(Cdd-Cd)(Cdd-Cd) - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,D} - 3 C 0 {1,D} {5,D} - 4 C 0 {2,D} - 5 C 0 {3,D} - - Cdd-CddCds // L4 Node - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,D} - 3 C 0 {1,D} {5,S} {6,S} - 4 R 0 {2,D} - 5 R 0 {3,S} - 6 R 0 {3,S} - - Cdd-(Cdd-Od)Cds - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,D} - 3 C 0 {1,D} {5,S} {6,S} - 4 O 0 {2,D} - 5 R 0 {3,S} - 6 R 0 {3,S} - - Cdd-(Cdd-Cd)Cds - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,D} - 3 C 0 {1,D} {5,S} {6,S} - 4 C 0 {2,D} - 5 R 0 {3,S} - 6 R 0 {3,S} - - Cdd-CdsCds - 1 * C 0 {2,D} {3,D} - 2 C 0 {1,D} {4,S} {5,S} - 3 C 0 {1,D} {6,S} {7,S} - 4 R 0 {2,S} - 5 R 0 {2,S} - 6 R 0 {3,S} - 7 R 0 {3,S} - - Cds // L2 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 R 0 {1,D} - 3 R 0 {1,S} - 4 R 0 {1,S} - - Cds-OdHH - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - - Cds-OdOsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 O 0 {1,S} {5,S} - 4 H 0 {1,S} - 5 R 0 {3,S} - - Cds-OdOsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 O 0 {1,S} {5,S} - 4 O 0 {1,S} {6,S} - 5 R 0 {3,S} - 6 R 0 {4,S} - - Cds-OdCH // L3 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} - 4 H 0 {1,S} - - Cds-OdCsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,S} {6,S} {7,S} - 4 H 0 {1,S} - 5 R 0 {3,S} - 6 R 0 {3,S} - 7 R 0 {3,S} - - Cds-OdCdsH // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 H 0 {1,S} - 5 R 0 {3,D} - 6 R 0 {3,S} - - Cds-Od(Cds-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 H 0 {1,S} - 5 O 0 {3,D} - 6 R 0 {3,S} - - Cds-Od(Cds-Cd)H // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 H 0 {1,S} - 5 C 0 {3,D} - 6 R 0 {3,S} - - Cds-Od(Cds-Cds)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 H 0 {1,S} - 5 C 0 {3,D} {7,S} {8,S} - 6 R 0 {3,S} - 7 R 0 {5,S} - 8 R 0 {5,S} - - Cds-Od(Cds-Cdd)H // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 H 0 {1,S} - 5 C 0 {3,D} {7,D} - 6 R 0 {3,S} - 7 R 0 {5,D} - - Cds-Od(Cds-Cdd-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 H 0 {1,S} - 5 C 0 {3,D} {7,D} - 6 R 0 {3,S} - 7 O 0 {5,D} - - Cds-Od(Cds-Cdd-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 H 0 {1,S} - 5 C 0 {3,D} {7,D} - 6 R 0 {3,S} - 7 C 0 {5,D} - - Cds-OdCtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 H 0 {1,S} - 5 C 0 {3,T} {6,S} - 6 R 0 {5,S} - - Cds-OdCbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 H 0 {1,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - - Cds-OdCOs // L3 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} - 4 O 0 {1,S} {5,S} - 5 R 0 {4,S} - - Cds-OdCsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,S} {6,S} {7,S} - 4 O 0 {1,S} {8,S} - 5 R 0 {3,S} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - - Cds-OdCdsOs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 O 0 {1,S} {7,S} - 5 R 0 {3,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Cds-Od(Cds-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 O 0 {1,S} {7,S} - 5 O 0 {3,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Cds-Od(Cds-Cd)Os // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 O 0 {1,S} {7,S} - 5 C 0 {3,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Cds-Od(Cds-Cds)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 O 0 {1,S} {7,S} - 5 C 0 {3,D} {8,S} {9,S} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 R 0 {5,S} - 9 R 0 {5,S} - - Cds-Od(Cds-Cdd)Os // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 O 0 {1,S} {7,S} - 5 C 0 {3,D} {8,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 R 0 {5,D} - - Cds-Od(Cds-Cdd-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 O 0 {1,S} {7,S} - 5 C 0 {3,D} {8,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 O 0 {5,D} - - Cds-Od(Cds-Cdd-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 O 0 {1,S} {7,S} - 5 C 0 {3,D} {8,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 C 0 {5,D} - - Cds-OdCtOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 O 0 {1,S} {6,S} - 5 C 0 {3,T} {7,S} - 6 R 0 {4,S} - 7 R 0 {5,S} - - Cds-OdCbOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 O 0 {1,S} {7,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 R 0 {4,S} - - Cds-OdCC // L3 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} - 4 C 0 {1,S} - - Cds-OdCsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,S} {6,S} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 R 0 {3,S} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - - Cds-OdCdsCs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 R 0 {3,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - - Cds-Od(Cds-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 O 0 {3,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - - Cds-Od(Cds-Cd)Cs // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 C 0 {3,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - - Cds-Od(Cds-Cds)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 C 0 {3,D} {10,S} {11,S} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 R 0 {5,S} - - Cds-Od(Cds-Cdd)Cs // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 C 0 {3,D} {10,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {5,D} - - Cds-Od(Cds-Cdd-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 C 0 {3,D} {10,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 O 0 {5,D} - - Cds-Od(Cds-Cdd-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 C 0 {3,D} {10,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 C 0 {5,D} - - Cds-OdCdsCds // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 R 0 {3,D} - 6 R 0 {3,S} - 7 R 0 {4,D} - 8 R 0 {4,S} - - Cds-Od(Cds-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 O 0 {3,D} - 6 R 0 {3,S} - 7 O 0 {4,D} - 8 R 0 {4,S} - - Cds-Od(Cds-Cd)(Cds-Od) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} - 6 R 0 {3,S} - 7 O 0 {4,D} - 8 R 0 {4,S} - - Cds-Od(Cds-Cds)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,S} {10,S} - 6 R 0 {3,S} - 7 O 0 {4,D} - 8 R 0 {4,S} - 9 R 0 {5,S} - 10 R 0 {5,S} - - Cds-Od(Cds-Cdd)(Cds-Od) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,D} - 6 R 0 {3,S} - 7 O 0 {4,D} - 8 R 0 {4,S} - 9 R 0 {5,D} - - Cds-Od(Cds-Cdd-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,D} - 6 R 0 {3,S} - 7 O 0 {4,D} - 8 R 0 {4,S} - 9 O 0 {5,D} - - Cds-Od(Cds-Cdd-Cd)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,D} - 6 R 0 {3,S} - 7 O 0 {4,D} - 8 R 0 {4,S} - 9 C 0 {5,D} - - Cds-Od(Cds-Cd)(Cds-Cd) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} - 6 R 0 {3,S} - 7 C 0 {4,D} - 8 R 0 {4,S} - - Cds-Od(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,S} {10,S} - 6 R 0 {3,S} - 7 C 0 {4,D} {11,S} {12,S} - 8 R 0 {4,S} - 9 R 0 {5,S} - 10 R 0 {5,S} - 11 R 0 {7,S} - 12 R 0 {7,S} - - Cds-Od(Cds-Cdd)(Cds-Cds) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,D} - 6 R 0 {3,S} - 7 C 0 {4,D} {10,S} {11,S} - 8 R 0 {4,S} - 9 R 0 {5,D} - 10 R 0 {7,S} - 11 R 0 {7,S} - - Cds-Od(Cds-Cdd-Od)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,D} - 6 R 0 {3,S} - 7 C 0 {4,D} {10,S} {11,S} - 8 R 0 {4,S} - 9 O 0 {5,D} - 10 R 0 {7,S} - 11 R 0 {7,S} - - Cds-Od(Cds-Cdd-Cd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,D} - 6 R 0 {3,S} - 7 C 0 {4,D} {10,S} {11,S} - 8 R 0 {4,S} - 9 C 0 {5,D} - 10 R 0 {7,S} - 11 R 0 {7,S} - - Cds-Od(Cds-Cdd)(Cds-Cdd) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,D} - 6 R 0 {3,S} - 7 C 0 {4,D} {10,D} - 8 R 0 {4,S} - 9 R 0 {5,D} - 10 R 0 {7,D} - - - Cds-Od(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,D} - 6 R 0 {3,S} - 7 C 0 {4,D} {10,D} - 8 R 0 {4,S} - 9 O 0 {5,D} - 10 O 0 {7,D} - - Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,D} - 6 R 0 {3,S} - 7 C 0 {4,D} {10,D} - 8 R 0 {4,S} - 9 C 0 {5,D} - 10 O 0 {7,D} - - Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,D} {9,D} - 6 R 0 {3,S} - 7 C 0 {4,D} {10,D} - 8 R 0 {4,S} - 9 C 0 {5,D} - 10 C 0 {7,D} - - Cds-OdCtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 C 0 {1,S} {6,S} {7,S} {8,S} - 5 C 0 {3,T} {9,S} - 6 R 0 {4,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {5,S} - - Cds-OdCtCds // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 C 0 {1,S} {6,D} {7,S} - 5 C 0 {3,T} {8,S} - 6 R 0 {4,D} - 7 R 0 {4,S} - 8 R 0 {5,S} - - Cds-OdCt(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 C 0 {1,S} {6,D} {7,S} - 5 C 0 {3,T} {8,S} - 6 O 0 {4,D} - 7 R 0 {4,S} - 8 R 0 {5,S} - - Cds-OdCt(Cds-Cd) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 C 0 {1,S} {6,D} {7,S} - 5 C 0 {3,T} {8,S} - 6 C 0 {4,D} - 7 R 0 {4,S} - 8 R 0 {5,S} - - Cds-OdCt(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 C 0 {1,S} {6,D} {7,S} - 5 C 0 {3,T} {8,S} - 6 C 0 {4,D} {9,S} {10,S} - 7 R 0 {4,S} - 8 R 0 {5,S} - 9 R 0 {6,S} - 10 R 0 {6,S} - - Cds-OdCt(Cds-Cdd) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 C 0 {1,S} {6,D} {7,S} - 5 C 0 {3,T} {8,S} - 6 C 0 {4,D} {9,D} - 7 R 0 {4,S} - 8 R 0 {5,S} - 9 R 0 {6,D} - - Cds-OdCt(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 C 0 {1,S} {6,D} {7,S} - 5 C 0 {3,T} {8,S} - 6 C 0 {4,D} {9,D} - 7 R 0 {4,S} - 8 R 0 {5,S} - 9 O 0 {6,D} - - Cds-OdCt(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 C 0 {1,S} {6,D} {7,S} - 5 C 0 {3,T} {8,S} - 6 C 0 {4,D} {9,D} - 7 R 0 {4,S} - 8 R 0 {5,S} - 9 C 0 {6,D} - - Cds-OdCtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,T} - 4 C 0 {1,S} {6,T} - 5 C 0 {3,T} {7,S} - 6 C 0 {4,T} {8,S} - 7 R 0 {5,S} - 8 R 0 {6,S} - - Cds-OdCbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - - Cds-OdCbCds // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 R 0 {4,D} - 8 R 0 {4,S} - - Cds-OdCb(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 O 0 {4,D} - 8 R 0 {4,S} - - Cds-OdCb(Cds-Cd) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 C 0 {4,D} - 8 R 0 {4,S} - - Cds-OdCb(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 C 0 {4,D} {9,S} {10,S} - 8 R 0 {4,S} - 9 R 0 {7,S} - 10 R 0 {7,S} - - Cds-OdCb(Cds-Cdd) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 C 0 {4,D} {9,D} - 8 R 0 {4,S} - 9 R 0 {7,D} - - Cds-OdCb(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 C 0 {4,D} {9,D} - 8 R 0 {4,S} - 9 O 0 {7,D} - - Cds-OdCb(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {1,S} {7,D} {8,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 C 0 {4,D} {9,D} - 8 R 0 {4,S} - 9 C 0 {7,D} - - Cds-OdCbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {1,S} {7,T} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 C 0 {4,T} {8,S} - 8 R 0 {7,S} - - Cds-OdCbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 O 0 {1,D} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {1,S} {7,B} {8,B} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 C 0 {4,B} - 8 C 0 {4,B} - - Cds-CdHH // L3 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - - Cds-CdsHH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - - Cds-CddHH // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 R 0 {2,D} - - Cds-(Cdd-Od)HH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 O 0 {2,D} - - Cds-(Cdd-Cd)HH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - - Cds-CdOsH // L3 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 O 0 {1,S} - 4 H 0 {1,S} - - Cds-CdsOsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 O 0 {1,S} {7,S} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,S} - - Cds-CddOsH // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 O 0 {1,S} {6,S} - 4 H 0 {1,S} - 5 R 0 {2,D} - 6 R 0 {3,S} - - Cds-(Cdd-Od)OsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 O 0 {1,S} {6,S} - 4 H 0 {1,S} - 5 O 0 {2,D} - 6 R 0 {3,S} - - Cds-(Cdd-Cd)OsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 O 0 {1,S} {6,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 R 0 {3,S} - - Cds-CdOsOs // L3 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 O 0 {1,S} - 4 O 0 {1,S} - - Cds-CdsOsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 O 0 {1,S} {7,S} - 4 O 0 {1,S} {8,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - - Cds-CddOsOs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 O 0 {1,S} {6,S} - 4 O 0 {1,S} {7,S} - 5 R 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Cds-(Cdd-Od)OsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 O 0 {1,S} {6,S} - 4 O 0 {1,S} {7,S} - 5 O 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Cds-(Cdd-Cd)OsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 O 0 {1,S} {6,S} - 4 O 0 {1,S} {7,S} - 5 C 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Cds-CdCH // L3 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 C 0 {1,S} - 4 H 0 {1,S} - - Cds-CdsCsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,S} {8,S} {9,S} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - - Cds-CdsCdsH // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,D} - 8 R 0 {3,S} - - Cds-Cds(Cds-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 O 0 {3,D} - 8 R 0 {3,S} - - Cds-Cds(Cds-Cd)H // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} - 8 R 0 {3,S} - - Cds-Cds(Cds-Cds)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {9,S} {10,S} - 8 R 0 {3,S} - 9 R 0 {7,S} - 10 R 0 {7,S} - - Cds-Cds(Cds-Cdd)H // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {9,D} - 8 R 0 {3,S} - 9 R 0 {7,D} - - Cds-Cds(Cds-Cdd-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {9,D} - 8 R 0 {3,S} - 9 O 0 {7,D} - - Cds-Cds(Cds-Cdd-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {9,D} - 8 R 0 {3,S} - 9 C 0 {7,D} - - Cds-CdsCtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,T} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,T} {8,S} - 8 R 0 {7,S} - - Cds-CdsCbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,B} {8,B} - 4 H 0 {1,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 C 0 {3,B} - - Cds-CddCsH // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,S} {7,S} {8,S} - 4 H 0 {1,S} - 5 R 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - - Cds-(Cdd-Od)CsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,S} {7,S} {8,S} - 4 H 0 {1,S} - 5 O 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - - Cds-(Cdd-Cd)CsH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,S} {7,S} {8,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - - Cds-CddCdsH // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 R 0 {2,D} - 6 R 0 {3,D} - 7 R 0 {3,S} - - Cds-(Cdd-Od)(Cds-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 O 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - - Cds-(Cdd-Od)(Cds-Cd)H // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 O 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - - Cds-(Cdd-Od)(Cds-Cds)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {8,S} {9,S} - 7 R 0 {3,S} - 8 R 0 {6,S} - 9 R 0 {6,S} - - Cds-(Cdd-Od)(Cds-Cdd)H // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {8,D} - 7 R 0 {3,S} - 8 R 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {8,D} - 7 R 0 {3,S} - 8 O 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {8,D} - 7 R 0 {3,S} - 8 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Od)H // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - - Cds-(Cdd-Cd)(Cds-Cd)H // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - - Cds-(Cdd-Cd)(Cds-Cds)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {8,S} {9,S} - 7 R 0 {3,S} - 8 R 0 {6,S} - 9 R 0 {6,S} - - Cds-(Cdd-Cd)(Cds-Cdd)H // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {8,D} - 7 R 0 {3,S} - 8 R 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {8,D} - 7 R 0 {3,S} - 8 O 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)H - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {8,D} - 7 R 0 {3,S} - 8 C 0 {6,D} - - Cds-CddCtH // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 H 0 {1,S} - 5 R 0 {2,D} - 6 C 0 {3,T} {7,S} - 7 R 0 {6,S} - - Cds-(Cdd-Od)CtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 H 0 {1,S} - 5 O 0 {2,D} - 6 C 0 {3,T} {7,S} - 7 R 0 {6,S} - - Cds-(Cdd-Cd)CtH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 C 0 {3,T} {7,S} - 7 R 0 {6,S} - - Cds-CddCbH // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 H 0 {1,S} - 5 R 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - - Cds-(Cdd-Od)CbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 H 0 {1,S} - 5 O 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - - Cds-(Cdd-Cd)CbH - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 H 0 {1,S} - 5 C 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - - Cds-CdCO // L3 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 C 0 {1,S} - 4 O 0 {1,S} - - Cds-CdsCsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,S} {8,S} {9,S} - 4 O 0 {1,S} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - - Cds-CdsCdsOs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 O 0 {1,S} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - - Cds-Cds(Cds-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 O 0 {1,S} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 O 0 {3,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - - Cds-Cds(Cds-Cd)Os // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 O 0 {1,S} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - - Cds-Cds(Cds-Cds)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 O 0 {1,S} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {10,S} {11,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {7,S} - 11 R 0 {7,S} - - Cds-Cds(Cds-Cdd)Os // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 O 0 {1,S} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {10,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {7,D} - - Cds-Cds(Cds-Cdd-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 O 0 {1,S} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {10,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 O 0 {7,D} - - Cds-Cds(Cds-Cdd-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 O 0 {1,S} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {10,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 C 0 {7,D} - - Cds-CdsCtOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,T} - 4 O 0 {1,S} {8,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,T} {9,S} - 8 R 0 {4,S} - 9 R 0 {7,S} - - Cds-CdsCbOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,B} {8,B} - 4 O 0 {1,S} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 C 0 {3,B} - 9 R 0 {4,S} - - Cds-CddCsOs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,S} {7,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 R 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - - Cds-(Cdd-Od)CsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,S} {7,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 O 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - - Cds-(Cdd-Cd)CsOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,S} {7,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 C 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - - Cds-CddCdsOs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 R 0 {2,D} - 6 R 0 {3,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - - Cds-(Cdd-Od)(Cds-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 O 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - - Cds-(Cdd-Od)(Cds-Cd)Os // L5 node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 O 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - - Cds-(Cdd-Od)(Cds-Cds)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {9,S} {10,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {6,S} - 10 R 0 {6,S} - - Cds-(Cdd-Od)(Cds-Cdd)Os // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 O 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cd)Os // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 R 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - - Cds-(Cdd-Cd)(Cds-Cds)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {9,S} {10,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {6,S} - 10 R 0 {6,S} - - Cds-(Cdd-Cd)(Cds-Cdd)Os // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 O 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)Os - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {1,S} {8,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 C 0 {6,D} - - Cds-CddCtOs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 O 0 {1,S} {7,S} - 5 R 0 {2,D} - 6 C 0 {3,T} {8,S} - 7 R 0 {4,S} - 8 R 0 {6,S} - - Cds-(Cdd-Od)CtOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 O 0 {1,S} {7,S} - 5 O 0 {2,D} - 6 C 0 {3,T} {8,S} - 7 R 0 {4,S} - 8 R 0 {6,S} - - Cds-(Cdd-Cd)CtOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 O 0 {1,S} {7,S} - 5 C 0 {2,D} - 6 C 0 {3,T} {8,S} - 7 R 0 {4,S} - 8 R 0 {6,S} - - Cds-CddCbOs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 O 0 {1,S} {8,S} - 5 R 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 R 0 {4,S} - - Cds-(Cdd-Od)CbOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 O 0 {1,S} {8,S} - 5 O 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 R 0 {4,S} - - Cds-(Cdd-Cd)CbOs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 O 0 {1,S} {8,S} - 5 C 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 R 0 {4,S} - - Cds-CdCC // L3 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} - 3 C 0 {1,S} - 4 C 0 {1,S} - - Cds-CdsCsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,S} {8,S} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - - Cds-CdsCdsCs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - - Cds-Cds(Cds-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 O 0 {3,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - - Cds-Cds(Cds-Cd)Cs // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - - Cds-Cds(Cds-Cds)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {12,S} {13,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {7,S} - 13 R 0 {7,S} - - Cds-Cds(Cds-Cdd)Cs // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {12,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {7,D} - - Cds-Cds(Cds-Cdd-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {12,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 O 0 {7,D} - - Cds-Cds(Cds-Cdd-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {12,D} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 C 0 {7,D} - - Cds-CdsCdsCds // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,D} - 8 R 0 {3,S} - 9 R 0 {4,D} - 10 R 0 {4,S} - - Cds-Cds(Cds-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 O 0 {3,D} - 8 R 0 {3,S} - 9 O 0 {4,D} - 10 R 0 {4,S} - - Cds-Cds(Cds-Od)(Cds-Cd) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 O 0 {3,D} - 8 R 0 {3,S} - 9 C 0 {4,D} - 10 R 0 {4,S} - - Cds-Cds(Cds-Od)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 O 0 {3,D} - 8 R 0 {3,S} - 9 C 0 {4,D} {11,S} {12,S} - 10 R 0 {4,S} - 11 R 0 {9,S} - 12 R 0 {9,S} - - Cds-Cds(Cds-Od)(Cds-Cdd) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 O 0 {3,D} - 8 R 0 {3,S} - 9 C 0 {4,D} {11,D} - 10 R 0 {4,S} - 11 R 0 {9,D} - - Cds-Cds(Cds-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 O 0 {3,D} - 8 R 0 {3,S} - 9 C 0 {4,D} {11,D} - 10 R 0 {4,S} - 11 O 0 {9,D} - - Cds-Cds(Cds-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 O 0 {3,D} - 8 R 0 {3,S} - 9 C 0 {4,D} {11,D} - 10 R 0 {4,S} - 11 C 0 {9,D} - - Cds-Cds(Cds-Cd)(Cds-Cd) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} - 8 R 0 {3,S} - 9 C 0 {4,D} - 10 R 0 {4,S} - - Cds-Cds(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,S} {12,S} - 8 R 0 {3,S} - 9 C 0 {4,D} {13,S} {14,S} - 10 R 0 {4,S} - 11 R 0 {7,S} - 12 R 0 {7,S} - 13 R 0 {9,S} - 14 R 0 {9,S} - - Cds-Cds(Cds-Cds)(Cds-Cdd) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,S} {12,S} - 8 R 0 {3,S} - 9 C 0 {4,D} {13,D} - 10 R 0 {4,S} - 11 R 0 {7,S} - 12 R 0 {7,S} - 13 R 0 {9,D} - - Cds-Cds(Cds-Cds)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,S} {12,S} - 8 R 0 {3,S} - 9 C 0 {4,D} {13,D} - 10 R 0 {4,S} - 11 R 0 {7,S} - 12 R 0 {7,S} - 13 O 0 {9,D} - - Cds-Cds(Cds-Cds)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,S} {12,S} - 8 R 0 {3,S} - 9 C 0 {4,D} {13,D} - 10 R 0 {4,S} - 11 R 0 {7,S} - 12 R 0 {7,S} - 13 C 0 {9,D} - - Cds-Cds(Cds-Cdd)(Cds-Cdd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,D} - 8 R 0 {3,S} - 9 C 0 {4,D} {12,D} - 10 R 0 {4,S} - 11 R 0 {7,D} - 12 R 0 {9,D} - - Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,D} - 8 R 0 {3,S} - 9 C 0 {4,D} {12,D} - 10 R 0 {4,S} - 11 O 0 {7,D} - 12 O 0 {9,D} - - Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,D} - 8 R 0 {3,S} - 9 C 0 {4,D} {12,D} - 10 R 0 {4,S} - 11 O 0 {7,D} - 12 C 0 {9,D} - - Cds-Cds(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,D} - 8 R 0 {3,S} - 9 C 0 {4,D} {12,D} - 10 R 0 {4,S} - 11 C 0 {7,D} - 12 C 0 {9,D} - - Cds-CdsCtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,T} {11,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {7,S} - - Cds-CdsCtCds // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,D} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,T} {10,S} - 8 R 0 {4,D} - 9 R 0 {4,S} - 10 R 0 {7,S} - - Cds-CdsCt(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,D} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,T} {10,S} - 8 O 0 {4,D} - 9 R 0 {4,S} - 10 R 0 {7,S} - - Cds-CdsCt(Cds-Cd) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,D} {9,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,T} {10,S} - 8 R 0 {4,D} - 9 R 0 {4,S} - 10 R 0 {7,S} - - Cds-Cds(Cds-Cds)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,T} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {10,S} {11,S} - 8 R 0 {3,S} - 9 C 0 {4,T} {12,S} - 10 R 0 {7,S} - 11 R 0 {7,S} - 12 R 0 {9,S} - - Cds-Cds(Cds-Cdd)Ct // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,T} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {10,D} - 8 R 0 {3,S} - 9 C 0 {4,T} {11,S} - 10 R 0 {7,D} - 11 R 0 {9,S} - - Cds-Cds(Cds-Cdd-Od)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,T} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {10,D} - 8 R 0 {3,S} - 9 C 0 {4,T} {11,S} - 10 O 0 {7,D} - 11 R 0 {9,S} - - Cds-Cds(Cds-Cdd-Cd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,T} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {10,D} - 8 R 0 {3,S} - 9 C 0 {4,T} {11,S} - 10 C 0 {7,D} - 11 R 0 {9,S} - - Cds-CdsCtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,T} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,T} {9,S} - 8 C 0 {4,T} {10,S} - 9 R 0 {7,S} - 10 R 0 {8,S} - - Cds-CdsCbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,B} {8,B} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 C 0 {3,B} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - - Cds-CdsCbCds // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,B} {8,B} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 C 0 {3,B} - 9 R 0 {4,D} - 10 R 0 {4,S} - - Cds-CdsCb(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,B} {8,B} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 C 0 {3,B} - 9 O 0 {4,D} - 10 R 0 {4,S} - - Cds-Cds(Cds-Cd)Cb // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,B} {8,B} - 4 C 0 {1,S} {9,D} {10,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 C 0 {3,B} - 9 R 0 {4,D} - 10 R 0 {4,S} - - Cds-Cds(Cds-Cds)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,B} {10,B} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,S} {12,S} - 8 R 0 {3,S} - 9 C 0 {4,B} - 10 C 0 {4,B} - 11 R 0 {7,S} - 12 R 0 {7,S} - - Cds-Cds(Cds-Cdd)Cb // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,B} {10,B} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,D} - 8 R 0 {3,S} - 9 C 0 {4,B} - 10 C 0 {4,B} - 11 R 0 {7,D} - - Cds-Cds(Cds-Cdd-Od)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,B} {10,B} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,D} - 8 R 0 {3,S} - 9 C 0 {4,B} - 10 C 0 {4,B} - 11 O 0 {7,D} - - Cds-Cds(Cds-Cdd-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 C 0 {1,S} {9,B} {10,B} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} {11,D} - 8 R 0 {3,S} - 9 C 0 {4,B} - 10 C 0 {4,B} - 11 C 0 {7,D} - - Cds-CdsCbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,B} {8,B} - 4 C 0 {1,S} {9,T} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 C 0 {3,B} - 9 C 0 {4,T} {10,S} - 10 R 0 {9,S} - - Cds-CdsCbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,S} {6,S} - 3 C 0 {1,S} {7,B} {8,B} - 4 C 0 {1,S} {9,B} {10,B} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 C 0 {3,B} - 9 C 0 {4,B} - 10 C 0 {4,B} - - Cds-CddCsCs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,S} {7,S} {8,S} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 R 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - - Cds-(Cdd-Od)CsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,S} {7,S} {8,S} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 O 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - - Cds-(Cdd-Cd)CsCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,S} {7,S} {8,S} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 C 0 {2,D} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - - Cds-CddCdsCs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 R 0 {2,D} - 6 R 0 {3,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - - Cds-(Cdd-Od)(Cds-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 O 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - - Cds-(Cdd-Od)(Cds-Cd)Cs // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 O 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - - Cds-(Cdd-Od)(Cds-Cds)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {11,S} {12,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {6,S} - 12 R 0 {6,S} - - Cds-(Cdd-Od)(Cds-Cdd)Cs // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {11,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {11,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 O 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {11,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 C 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cd)Cs // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 C 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - - Cds-(Cdd-Cd)(Cds-Cds)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {11,S} {12,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {6,S} - 12 R 0 {6,S} - - Cds-(Cdd-Cd)(Cds-Cdd)Cs // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {11,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {11,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 O 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {11,D} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 C 0 {6,D} - - Cds-CddCdsCds // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 R 0 {2,D} - 6 R 0 {3,D} - 7 R 0 {3,S} - 8 R 0 {4,D} - 9 R 0 {4,S} - - Cds-(Cdd-Od)(Cds-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 O 0 {4,D} - 9 R 0 {4,S} - - Cds-(Cdd-Od)(Cds-Cd)(Cds-Od) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 O 0 {4,D} - 9 R 0 {4,S} - - Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,S} {11,S} - 7 R 0 {3,S} - 8 O 0 {4,D} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {6,S} - - Cds-(Cdd-Od)(Cds-Cdd)(Cds-Od) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 O 0 {4,D} - 9 R 0 {4,S} - 10 R 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 O 0 {4,D} - 9 R 0 {4,S} - 10 O 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 O 0 {4,D} - 9 R 0 {4,S} - 10 C 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cd)(Cds-Cd) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,D} - 9 R 0 {4,S} - - Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,S} {11,S} - 7 R 0 {3,S} - 8 C 0 {4,D} {12,S} {13,S} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {6,S} - 12 R 0 {8,S} - 13 R 0 {8,S} - - Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cds) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,S} {12,S} - 9 R 0 {4,S} - 10 R 0 {6,D} - 11 R 0 {8,S} - 12 R 0 {8,S} - - - Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,S} {12,S} - 9 R 0 {4,S} - 10 O 0 {6,D} - 11 R 0 {8,S} - 12 R 0 {8,S} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,S} {12,S} - 9 R 0 {4,S} - 10 C 0 {6,D} - 11 R 0 {8,S} - 12 R 0 {8,S} - - Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cdd) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,D} - 9 R 0 {4,S} - 10 R 0 {6,D} - 11 R 0 {8,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,D} - 9 R 0 {4,S} - 10 O 0 {6,D} - 11 O 0 {8,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,D} - 9 R 0 {4,S} - 10 O 0 {6,D} - 11 C 0 {8,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,D} - 9 R 0 {4,S} - 10 C 0 {6,D} - 11 C 0 {8,D} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 O 0 {4,D} - 9 R 0 {4,S} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Cd) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,D} - 9 R 0 {4,S} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {10,S} {11,S} - 9 R 0 {4,S} - 10 R 0 {8,S} - 11 R 0 {8,S} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {10,D} - 9 R 0 {4,S} - 10 R 0 {8,D} - - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {10,D} - 9 R 0 {4,S} - 10 O 0 {8,D} - - Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {10,D} - 9 R 0 {4,S} - 10 C 0 {8,D} - - Cds-(Cdd-Cd)(Cds-Cd)(Cds-Cd) // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,D} - 9 R 0 {4,S} - - Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,S} {11,S} - 7 R 0 {3,S} - 8 C 0 {4,D} {12,S} {13,S} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {6,S} - 12 R 0 {8,S} - 13 R 0 {8,S} - - Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cds) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,S} {12,S} - 9 R 0 {4,S} - 10 R 0 {6,D} - 11 R 0 {8,S} - 12 R 0 {8,S} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,S} {12,S} - 9 R 0 {4,S} - 10 O 0 {6,D} - 11 R 0 {8,S} - 12 R 0 {8,S} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cds) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,S} {12,S} - 9 R 0 {4,S} - 10 C 0 {6,D} - 11 R 0 {8,S} - 12 R 0 {8,S} - - Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cdd) // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,D} - 9 R 0 {4,S} - 10 R 0 {6,D} - 11 R 0 {8,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,D} - 9 R 0 {4,S} - 10 O 0 {6,D} - 11 O 0 {8,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,D} - 9 R 0 {4,S} - 10 O 0 {6,D} - 11 C 0 {8,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,D} {9,S} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,D} {11,D} - 9 R 0 {4,S} - 10 C 0 {6,D} - 11 C 0 {8,D} - - Cds-CddCtCs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 R 0 {2,D} - 6 C 0 {3,T} {10,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {6,S} - - Cds-(Cdd-Od)CtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 O 0 {2,D} - 6 C 0 {3,T} {10,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {6,S} - - Cds-(Cdd-Cd)CtCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 C 0 {1,S} {7,S} {8,S} {9,S} - 5 C 0 {2,D} - 6 C 0 {3,T} {10,S} - 7 R 0 {4,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {6,S} - - Cds-CddCtCds // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 R 0 {2,D} - 6 R 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,T} {9,S} - 9 R 0 {8,S} - - Cds-(Cdd-Od)(Cds-Od)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 O 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,T} {9,S} - 9 R 0 {8,S} - - Cds-(Cdd-Od)(Cds-Cd)Ct // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 O 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,T} {9,S} - 9 R 0 {8,S} - - Cds-(Cdd-Od)(Cds-Cds)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 O 0 {2,D} - 6 C 0 {3,D} {9,S} {10,S} - 7 R 0 {3,S} - 8 C 0 {4,T} {11,S} - 9 R 0 {6,S} - 10 R 0 {6,S} - 11 R 0 {8,S} - - Cds-(Cdd-Od)(Cds-Cdd)Ct // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 O 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 C 0 {4,T} {10,S} - 9 R 0 {6,D} - 10 R 0 {8,S} - - - Cds-(Cdd-Od)(Cds-Cdd-Od)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 O 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 C 0 {4,T} {10,S} - 9 O 0 {6,D} - 10 R 0 {8,S} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 O 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 C 0 {4,T} {10,S} - 9 C 0 {6,D} - 10 R 0 {8,S} - - Cds-(Cdd-Cd)(Cds-Cd)Ct // L5 node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 C 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,T} {9,S} - 9 R 0 {8,S} - - Cds-(Cdd-Cd)(Cds-Cds)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 C 0 {2,D} - 6 C 0 {3,D} {9,S} {10,S} - 7 R 0 {3,S} - 8 C 0 {4,T} {11,S} - 9 R 0 {6,S} - 10 R 0 {6,S} - 11 R 0 {8,S} - - Cds-(Cdd-Cd)(Cds-Cdd)Ct // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 C 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 C 0 {4,T} {10,S} - 9 R 0 {6,D} - 10 R 0 {8,S} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 C 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 C 0 {4,T} {10,S} - 9 O 0 {6,D} - 10 R 0 {8,S} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,T} - 5 C 0 {2,D} - 6 C 0 {3,D} {9,D} - 7 R 0 {3,S} - 8 C 0 {4,T} {10,S} - 9 C 0 {6,D} - 10 R 0 {8,S} - - Cds-CddCtCt // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 C 0 {1,S} {7,T} - 5 R 0 {2,D} - 6 C 0 {3,T} {8,S} - 7 C 0 {4,T} {9,S} - 8 R 0 {6,S} - 9 R 0 {7,S} - - Cds-(Cdd-Od)CtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 C 0 {1,S} {7,T} - 5 O 0 {2,D} - 6 C 0 {3,T} {8,S} - 7 C 0 {4,T} {9,S} - 8 R 0 {6,S} - 9 R 0 {7,S} - - Cds-(Cdd-Cd)CtCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,T} - 4 C 0 {1,S} {7,T} - 5 C 0 {2,D} - 6 C 0 {3,T} {8,S} - 7 C 0 {4,T} {9,S} - 8 R 0 {6,S} - 9 R 0 {7,S} - - Cds-CddCbCs // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 R 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - - - Cds-(Cdd-Od)CbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 O 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - - Cds-(Cdd-Cd)CbCs - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 C 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - - Cds-CddCbCds // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 R 0 {2,D} - 6 R 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - - Cds-(Cdd-Od)(Cds-Od)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 O 0 {2,D} - 6 O 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - - Cds-(Cdd-Od)(Cds-Cd)Cb // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 O 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - - Cds-(Cdd-Od)(Cds-Cds)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,S} {11,S} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - 10 R 0 {6,S} - 11 R 0 {6,S} - - Cds-(Cdd-Od)(Cds-Cdd)Cb // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - 10 R 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Od)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - 10 O 0 {6,D} - - Cds-(Cdd-Od)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 O 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - 10 C 0 {6,D} - - - Cds-(Cdd-Cd)(Cds-Cd)Cb // L5 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 C 0 {2,D} - 6 C 0 {3,D} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - - Cds-(Cdd-Cd)(Cds-Cds)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,S} {11,S} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - 10 R 0 {6,S} - 11 R 0 {6,S} - - Cds-(Cdd-Cd)(Cds-Cdd)Cb // L6 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - 10 R 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Od)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - 10 O 0 {6,D} - - Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {1,S} {8,B} {9,B} - 5 C 0 {2,D} - 6 C 0 {3,D} {10,D} - 7 R 0 {3,S} - 8 C 0 {4,B} - 9 C 0 {4,B} - 10 C 0 {6,D} - - Cds-CddCbCt // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 C 0 {1,S} {8,T} - 5 R 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 C 0 {4,T} {9,S} - 9 R 0 {8,S} - - Cds-(Cdd-Od)CbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 C 0 {1,S} {8,T} - 5 O 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 C 0 {4,T} {9,S} - 9 R 0 {8,S} - - Cds-(Cdd-Cd)CbCt - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 C 0 {1,S} {8,T} - 5 C 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 C 0 {4,T} {9,S} - 9 R 0 {8,S} - - Cds-CddCbCb // L4 Node - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 C 0 {1,S} {8,B} {9,B} - 5 R 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 C 0 {4,B} - 9 C 0 {4,B} - - Cds-(Cdd-Od)CbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 C 0 {1,S} {8,B} {9,B} - 5 O 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 C 0 {4,B} - 9 C 0 {4,B} - - Cds-(Cdd-Cd)CbCb - 1 * C 0 {2,D} {3,S} {4,S} - 2 C 0 {1,D} {5,D} - 3 C 0 {1,S} {6,B} {7,B} - 4 C 0 {1,S} {8,B} {9,B} - 5 C 0 {2,D} - 6 C 0 {3,B} - 7 C 0 {3,B} - 8 C 0 {4,B} - 9 C 0 {4,B} - - Cs // L2 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 R 0 {1,S} - 3 R 0 {1,S} - 4 R 0 {1,S} - 5 R 0 {1,S} - - Cs-HHHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 H 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CHHH // L3 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CsHHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,S} {7,S} {8,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,S} - 7 R 0 {2,S} - 8 R 0 {2,S} - - Cs-CdsHHH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - - Cs-(Cds-Od)HHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - - Cs-(Cds-Cd)HHH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - - Cs-(Cds-Cds)HHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {8,S} {9,S} - 7 R 0 {2,S} - 8 R 0 {6,S} - 9 R 0 {6,S} - - Cs-(Cds-Cdd)HHH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {8,D} - 7 R 0 {2,S} - 8 R 0 {6,D} - - Cs-(Cds-Cdd-Od)HHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {8,D} - 7 R 0 {2,S} - 8 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)HHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {8,D} - 7 R 0 {2,S} - 8 C 0 {6,D} - - Cs-CtHHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {7,S} - 7 R 0 {6,S} - - Cs-CbHHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - - Cs-OsHHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 O 0 {1,S} {6,S} - 3 H 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,S} - - Cs-OsOsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 O 0 {1,S} {6,S} - 3 O 0 {1,S} {7,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,S} - 7 R 0 {3,S} - - Cs-OsOsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 O 0 {1,S} {6,S} - 3 O 0 {1,S} {7,S} - 4 O 0 {1,S} {8,S} - 5 H 0 {1,S} - 6 R 0 {2,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - - Cs-CCHH // L3 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - - Cs-CsCsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,S} {7,S} {8,S} - 3 C 0 {1,S} {9,S} {10,S} {11,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,S} - 7 R 0 {2,S} - 8 R 0 {2,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {3,S} - - Cs-CdsCsHH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - - Cs-(Cds-Od)CsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - - Cs-(Cds-Cd)CsHH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - - Cs-(Cds-Cds)CsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,S} {12,S} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {6,S} - 12 R 0 {6,S} - - Cs-(Cds-Cdd)CsHH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 C 0 {6,D} - - Cs-CdsCdsHH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - - Cs-(Cds-Od)(Cds-Od)HH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - - Cs-(Cds-Od)(Cds-Cd)HH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - - Cs-(Cds-Od)(Cds-Cds)HH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {10,S} {11,S} - 9 R 0 {3,S} - 10 R 0 {8,S} - 11 R 0 {8,S} - - Cs-(Cds-Od)(Cds-Cdd)HH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {10,D} - 9 R 0 {3,S} - 10 R 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)HH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {10,D} - 9 R 0 {3,S} - 10 O 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)HH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {10,D} - 9 R 0 {3,S} - 10 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)HH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - - Cs-(Cds-Cds)(Cds-Cds)HH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,S} {11,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 R 0 {6,S} - 11 R 0 {6,S} - 12 R 0 {8,S} - 13 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cds)HH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,S} {12,S} - 9 R 0 {3,S} - 10 R 0 {6,D} - 11 R 0 {8,S} - 12 R 0 {8,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)HH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,S} {12,S} - 9 R 0 {3,S} - 10 O 0 {6,D} - 11 R 0 {8,S} - 12 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)HH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,S} {12,S} - 9 R 0 {3,S} - 10 C 0 {6,D} - 11 R 0 {8,S} - 12 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cdd)HH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,D} - 9 R 0 {3,S} - 10 R 0 {6,D} - 11 R 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)HH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,D} - 9 R 0 {3,S} - 10 O 0 {6,D} - 11 O 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)HH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,D} - 9 R 0 {3,S} - 10 O 0 {6,D} - 11 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)HH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,D} - 9 R 0 {3,S} - 10 C 0 {6,D} - 11 C 0 {8,D} - - Cs-CtCsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,S} {8,S} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {10,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {6,S} - - Cs-CtCdsHH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {9,S} - 9 R 0 {8,S} - - Cs-(Cds-Od)CtHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {9,S} - 9 R 0 {8,S} - - Cs-(Cds-Cd)CtHH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {9,S} - 9 R 0 {8,S} - - Cs-(Cds-Cds)CtHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {9,S} {10,S} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 R 0 {6,S} - 10 R 0 {6,S} - 11 R 0 {8,S} - - Cs-(Cds-Cdd)CtHH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {9,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {10,S} - 9 R 0 {6,D} - 10 R 0 {8,S} - - Cs-(Cds-Cdd-Od)CtHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {9,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {10,S} - 9 O 0 {6,D} - 10 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)CtHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {9,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {10,S} - 9 C 0 {6,D} - 10 R 0 {8,S} - - Cs-CtCtHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {8,S} - 7 C 0 {3,T} {9,S} - 8 R 0 {6,S} - 9 R 0 {7,S} - - Cs-CbCsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - - Cs-CbCdsHH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - - Cs-(Cds-Od)CbHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - - Cs-(Cds-Cd)CbHH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - - Cs-(Cds-Cds)CbHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,S} {11,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {6,S} - 11 R 0 {6,S} - - Cs-(Cds-Cdd)CbHH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CbHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {6,D} - - Cs-CbCtHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {9,S} - 9 R 0 {8,S} - - Cs-CbCbHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - - Cs-CCCH // L3 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 C 0 {1,S} - 5 H 0 {1,S} - - Cs-CsCsCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,S} {7,S} {8,S} - 3 C 0 {1,S} {9,S} {10,S} {11,S} - 4 C 0 {1,S} {12,S} {13,S} {14,S} - 5 H 0 {1,S} - 6 R 0 {2,S} - 7 R 0 {2,S} - 8 R 0 {2,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {3,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {4,S} - - Cs-CdsCsCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - - Cs-(Cds-Od)CsCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - - Cs-(Cds-Cd)CsCsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - - Cs-(Cds-Cds)CsCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - - Cs-(Cds-Cdd)CsCsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CsCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 C 0 {6,D} - - Cs-CtCsCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,S} {8,S} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {13,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {6,S} - - Cs-CbCsCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - - Cs-CdsCdsCsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - - Cs-(Cds-Od)(Cds-Od)CsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - - Cs-(Cds-Od)(Cds-Cd)CsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - - Cs-(Cds-Od)(Cds-Cds)CsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {8,S} - 14 R 0 {8,S} - - Cs-(Cds-Od)(Cds-Cdd)CsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 O 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)CsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - - Cs-(Cds-Cds)(Cds-Cds)CsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cds)CsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {8,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 O 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 C 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {6,D} - 14 R 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 O 0 {6,D} - 14 O 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 O 0 {6,D} - 14 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 C 0 {6,D} - 14 C 0 {8,D} - - Cs-CtCdsCsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {8,S} - - Cs-(Cds-Od)CtCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {8,S} - - Cs-(Cds-Cd)CtCsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {8,S} - - Cs-(Cds-Cds)CtCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,T} {14,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {8,S} - - Cs-(Cds-Cdd)CtCsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {6,D} - 13 R 0 {8,S} - - Cs-(Cds-Cdd-Od)CtCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 O 0 {6,D} - 13 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)CtCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 C 0 {6,D} - 13 R 0 {8,S} - - Cs-CbCdsCsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - - Cs-(Cds-Od)CbCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - - Cs-(Cds-Cd)CbCsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - - Cs-(Cds-Cds)CbCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - - Cs-(Cds-Cdd)CbCsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CbCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 C 0 {6,D} - - Cs-CtCtCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {11,S} - 7 C 0 {3,T} {12,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {6,S} - 12 R 0 {7,S} - - Cs-CbCtCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {12,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {8,S} - - Cs-CbCbCsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - - Cs-CdsCdsCdsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,D} - 11 R 0 {4,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)H // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {12,S} {13,S} - 11 R 0 {4,S} - 12 R 0 {10,S} - 13 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)H // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {12,D} - 11 R 0 {4,S} - 12 R 0 {10,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {12,D} - 11 R 0 {4,S} - 12 O 0 {10,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {12,D} - 11 R 0 {4,S} - 12 C 0 {10,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)H // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,S} {15,S} - 11 R 0 {4,S} - 12 R 0 {8,S} - 13 R 0 {8,S} - 14 R 0 {10,S} - 15 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)H // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,S} {14,S} - 11 R 0 {4,S} - 12 R 0 {8,D} - 13 R 0 {10,S} - 14 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,S} {14,S} - 11 R 0 {4,S} - 12 O 0 {8,D} - 13 R 0 {10,S} - 14 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,S} {14,S} - 11 R 0 {4,S} - 12 C 0 {8,D} - 13 R 0 {10,S} - 14 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)H // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,D} - 11 R 0 {4,S} - 12 R 0 {8,D} - 13 R 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,D} - 11 R 0 {4,S} - 12 O 0 {8,D} - 13 O 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,D} - 11 R 0 {4,S} - 12 O 0 {8,D} - 13 C 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,D} - 11 R 0 {4,S} - 12 C 0 {8,D} - 13 C 0 {10,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)H // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,S} {17,S} - 11 R 0 {4,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,S} - 17 R 0 {10,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)H // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 O 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 C 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)H // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {8,D} - 15 R 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 O 0 {8,D} - 15 O 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 O 0 {8,D} - 15 C 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 C 0 {8,D} - 15 C 0 {10,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)H // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 R 0 {6,D} - 13 R 0 {8,D} - 14 R 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 O 0 {6,D} - 13 O 0 {8,D} - 14 O 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 O 0 {6,D} - 13 O 0 {8,D} - 14 C 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 O 0 {6,D} - 13 C 0 {8,D} - 14 C 0 {10,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {6,D} - 13 C 0 {8,D} - 14 C 0 {10,D} - - Cs-CtCdsCdsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {11,S} - 11 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Od)CtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {11,S} - 11 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cd)CtH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {11,S} - 11 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cds)CtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,S} {12,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 R 0 {8,S} - 12 R 0 {8,S} - 13 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)CtH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 R 0 {8,D} - 12 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)CtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 O 0 {8,D} - 12 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 C 0 {8,D} - 12 R 0 {10,S} - - Cs-(Cds-Cd)(Cds-Cd)CtH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {11,S} - 11 R 0 {10,S} - - Cs-(Cds-Cds)(Cds-Cds)CtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,S} {12,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {15,S} - 11 R 0 {6,S} - 12 R 0 {6,S} - 13 R 0 {8,S} - 14 R 0 {8,S} - 15 R 0 {10,S} - - Cs-(Cds-Cdd)(Cds-Cds)CtH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 R 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {8,S} - 14 R 0 {10,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 O 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {8,S} - 14 R 0 {10,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 C 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {8,S} - 14 R 0 {10,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CtH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 R 0 {6,D} - 12 R 0 {8,D} - 13 R 0 {10,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 O 0 {6,D} - 12 O 0 {8,D} - 13 R 0 {10,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 O 0 {6,D} - 12 C 0 {8,D} - 13 R 0 {10,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 C 0 {6,D} - 12 C 0 {8,D} - 13 R 0 {10,S} - - Cs-CbCdsCdsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - - Cs-(Cds-Od)(Cds-Od)CbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - - Cs-(Cds-Od)(Cds-Cd)CbH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - - Cs-(Cds-Od)(Cds-Cds)CbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {8,S} - 13 R 0 {8,S} - - Cs-(Cds-Od)(Cds-Cdd)CbH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 O 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)CbH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - - Cs-(Cds-Cds)(Cds-Cds)CbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cds)CbH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 O 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CbH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {6,D} - 13 R 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 O 0 {6,D} - 13 O 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 O 0 {6,D} - 13 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {6,D} - 13 C 0 {8,D} - - Cs-CtCtCdsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,D} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {10,S} - 7 C 0 {3,T} {11,S} - 8 R 0 {4,D} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {7,S} - - Cs-CtCt(Cds-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,D} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {10,S} - 7 C 0 {3,T} {11,S} - 8 O 0 {4,D} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {7,S} - - Cs-CtCt(Cds-Cd)H // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,D} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {10,S} - 7 C 0 {3,T} {11,S} - 8 C 0 {4,D} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {7,S} - - Cs-CtCt(Cds-Cds)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,D} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {10,S} - 7 C 0 {3,T} {11,S} - 8 C 0 {4,D} {12,S} {13,S} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {7,S} - 12 R 0 {8,S} - 13 R 0 {8,S} - - Cs-CtCt(Cds-Cdd)H // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,D} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {10,S} - 7 C 0 {3,T} {11,S} - 8 C 0 {4,D} {12,D} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {7,S} - 12 R 0 {8,D} - - Cs-CtCt(Cds-Cdd-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,D} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {10,S} - 7 C 0 {3,T} {11,S} - 8 C 0 {4,D} {12,D} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {7,S} - 12 O 0 {8,D} - - Cs-CtCt(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,D} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {10,S} - 7 C 0 {3,T} {11,S} - 8 C 0 {4,D} {12,D} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {7,S} - 12 C 0 {8,D} - - Cs-CbCtCdsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,D} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {11,S} - 9 R 0 {4,D} - 10 R 0 {4,S} - 11 R 0 {8,S} - - Cs-CbCt(Cds-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,D} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {11,S} - 9 O 0 {4,D} - 10 R 0 {4,S} - 11 R 0 {8,S} - - Cs-CbCt(Cds-Cd)H // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,D} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,D} - 10 R 0 {4,S} - 11 R 0 {8,S} - - Cs-CbCt(Cds-Cds)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,D} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,D} {12,S} {13,S} - 10 R 0 {4,S} - 11 R 0 {8,S} - 12 R 0 {9,S} - 13 R 0 {9,S} - - Cs-CbCt(Cds-Cdd)H // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,D} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,D} {12,D} - 10 R 0 {4,S} - 11 R 0 {8,S} - 12 R 0 {9,D} - - Cs-CbCt(Cds-Cdd-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,D} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,D} {12,D} - 10 R 0 {4,S} - 11 R 0 {8,S} - 12 O 0 {9,D} - - Cs-CbCt(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,D} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,D} {12,D} - 10 R 0 {4,S} - 11 R 0 {8,S} - 12 C 0 {9,D} - - Cs-CbCbCdsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,D} - 11 R 0 {4,S} - - Cs-CbCb(Cds-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 O 0 {4,D} - 11 R 0 {4,S} - - Cs-CbCb(Cds-Cd)H // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,D} - 11 R 0 {4,S} - - Cs-CbCb(Cds-Cds)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,D} {12,S} {13,S} - 11 R 0 {4,S} - 12 R 0 {10,S} - 13 R 0 {10,S} - - Cs-CbCb(Cds-Cdd)H // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,D} {12,D} - 11 R 0 {4,S} - 12 R 0 {10,D} - - Cs-CbCb(Cds-Cdd-Od)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,D} {12,D} - 11 R 0 {4,S} - 12 O 0 {10,D} - - Cs-CbCb(Cds-Cdd-Cd)H - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,D} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,D} {12,D} - 11 R 0 {4,S} - 12 C 0 {10,D} - - Cs-CtCtCtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,T} - 5 H 0 {1,S} - 6 C 0 {2,T} {9,S} - 7 C 0 {3,T} {10,S} - 8 C 0 {4,T} {11,S} - 9 R 0 {6,S} - 10 R 0 {7,S} - 11 R 0 {8,S} - - Cs-CbCtCtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {10,S} - 9 C 0 {4,T} {11,S} - 10 R 0 {8,S} - 11 R 0 {9,S} - - Cs-CbCbCtH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {11,S} - 11 R 0 {10,S} - - Cs-CbCbCbH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - - Cs-CCCC // L3 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 C 0 {1,S} - 5 C 0 {1,S} - - Cs-CsCsCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,S} {7,S} {8,S} - 3 C 0 {1,S} {9,S} {10,S} {11,S} - 4 C 0 {1,S} {12,S} {13,S} {14,S} - 5 C 0 {1,S} {15,S} {16,S} {17,S} - 6 R 0 {2,S} - 7 R 0 {2,S} - 8 R 0 {2,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {3,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {4,S} - 15 R 0 {5,S} - 16 R 0 {5,S} - 17 R 0 {5,S} - - Cs-CdsCsCsCs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 C 0 {1,S} {14,S} {15,S} {16,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {5,S} - - Cs-(Cds-Od)CsCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 C 0 {1,S} {14,S} {15,S} {16,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {5,S} - - Cs-(Cds-Cd)CsCsCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 C 0 {1,S} {14,S} {15,S} {16,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {5,S} - - Cs-(Cds-Cds)CsCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 C 0 {1,S} {14,S} {15,S} {16,S} - 6 C 0 {2,D} {17,S} {18,S} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {5,S} - 17 R 0 {6,S} - 18 R 0 {6,S} - - Cs-(Cds-Cdd)CsCsCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 C 0 {1,S} {14,S} {15,S} {16,S} - 6 C 0 {2,D} {17,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {5,S} - 17 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CsCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 C 0 {1,S} {14,S} {15,S} {16,S} - 6 C 0 {2,D} {17,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {5,S} - 17 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 C 0 {1,S} {14,S} {15,S} {16,S} - 6 C 0 {2,D} {17,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {5,S} - 17 C 0 {6,D} - - Cs-CtCsCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,S} {8,S} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,T} {16,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {6,S} - - Cs-CbCsCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 C 0 {1,S} {14,S} {15,S} {16,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {5,S} - - Cs-CdsCdsCsCs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)CsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cd)CsCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cds)CsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - - Cs-(Cds-Od)(Cds-Cdd)CsCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 O 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)CsCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - - Cs-(Cds-Cds)(Cds-Cds)CsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,S} {17,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {18,S} {19,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {6,S} - 17 R 0 {6,S} - 18 R 0 {8,S} - 19 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cds)CsCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,S} {18,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {6,D} - 17 R 0 {8,S} - 18 R 0 {8,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,S} {18,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 O 0 {6,D} - 17 R 0 {8,S} - 18 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,S} {18,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 C 0 {6,D} - 17 R 0 {8,S} - 18 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CsCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {6,D} - 17 R 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 O 0 {6,D} - 17 O 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 O 0 {6,D} - 17 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 C 0 {6,D} - 17 C 0 {8,D} - - Cs-CtCdsCsCs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {15,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {8,S} - - Cs-(Cds-Od)CtCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {15,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {8,S} - - Cs-(Cds-Cd)CtCsCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {15,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {8,S} - - Cs-(Cds-Cds)CtCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,T} {17,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - 17 R 0 {8,S} - - Cs-(Cds-Cdd)CtCsCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {16,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,D} - 16 R 0 {8,S} - - Cs-(Cds-Cdd-Od)CtCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {16,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {6,D} - 16 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)CtCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {16,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 C 0 {6,D} - 16 R 0 {8,S} - - Cs-CbCdsCsCs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - - Cs-(Cds-Od)CbCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - - Cs-(Cds-Cd)CbCsCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - - Cs-(Cds-Cds)CbCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,S} {17,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {6,S} - 17 R 0 {6,S} - - Cs-(Cds-Cdd)CbCsCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CbCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,D} {16,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - 16 C 0 {6,D} - - Cs-CtCtCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,T} {14,S} - 7 C 0 {3,T} {15,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {7,S} - - Cs-CbCtCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {15,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {8,S} - - Cs-CbCbCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 C 0 {1,S} {13,S} {14,S} {15,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {5,S} - - Cs-CdsCdsCdsCs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,S} {16,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {10,S} - 16 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {10,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {10,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 C 0 {10,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,S} {18,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 R 0 {10,S} - 18 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,S} {17,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {8,D} - 16 R 0 {10,S} - 17 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,S} {17,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {8,D} - 16 R 0 {10,S} - 17 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,S} {17,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 C 0 {8,D} - 16 R 0 {10,S} - 17 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {8,D} - 16 R 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {8,D} - 16 O 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {8,D} - 16 C 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 C 0 {8,D} - 16 C 0 {10,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,S} {18,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {19,S} {20,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - 17 R 0 {8,S} - 18 R 0 {8,S} - 19 R 0 {10,S} - 20 R 0 {10,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,S} {18,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {19,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - 17 R 0 {8,S} - 18 R 0 {8,S} - 19 R 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,S} {18,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {19,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - 17 R 0 {8,S} - 18 R 0 {8,S} - 19 O 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,S} {18,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {19,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - 17 R 0 {8,S} - 18 R 0 {8,S} - 19 C 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - 17 R 0 {8,D} - 18 R 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - 17 O 0 {8,D} - 18 O 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - 17 O 0 {8,D} - 18 C 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - 17 C 0 {8,D} - 18 C 0 {10,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,D} - 16 R 0 {8,D} - 17 R 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {6,D} - 16 O 0 {8,D} - 17 O 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {6,D} - 16 O 0 {8,D} - 17 C 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {6,D} - 16 C 0 {8,D} - 17 C 0 {10,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 C 0 {6,D} - 16 C 0 {8,D} - 17 C 0 {10,D} - - Cs-CtCdsCdsCs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Od)CtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cd)CtCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cds)CtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {16,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)CtCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {15,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {8,D} - 15 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)CtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {15,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 O 0 {8,D} - 15 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {15,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 C 0 {8,D} - 15 R 0 {10,S} - - Cs-(Cds-Cd)(Cds-Cd)CtCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {10,S} - - Cs-(Cds-Cds)(Cds-Cds)CtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {18,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 R 0 {10,S} - - Cs-(Cds-Cdd)(Cds-Cds)CtCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {17,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {6,D} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 R 0 {10,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {17,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 R 0 {10,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {17,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 C 0 {6,D} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 R 0 {10,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CtCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {16,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {6,D} - 15 R 0 {8,D} - 16 R 0 {10,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {16,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 O 0 {8,D} - 16 R 0 {10,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {16,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 C 0 {8,D} - 16 R 0 {10,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {16,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 C 0 {6,D} - 15 C 0 {8,D} - 16 R 0 {10,S} - - Cs-CbCdsCdsCs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)CbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cd)CbCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cds)CbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - - Cs-(Cds-Od)(Cds-Cdd)CbCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)CbCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Cds)(Cds-Cds)CbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {17,S} {18,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - 17 R 0 {8,S} - 18 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cds)CbCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,D} - 16 R 0 {8,S} - 17 R 0 {8,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {6,D} - 16 R 0 {8,S} - 17 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 C 0 {6,D} - 16 R 0 {8,S} - 17 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CbCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,D} - 16 R 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {6,D} - 16 O 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {6,D} - 16 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 C 0 {6,D} - 16 C 0 {8,D} - - Cs-CtCtCdsCs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,S} {11,S} {12,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 C 0 {4,T} {14,S} - 10 R 0 {5,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {8,S} - 14 R 0 {9,S} - - Cs-(Cds-Od)CtCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,S} {11,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 C 0 {4,T} {14,S} - 10 R 0 {5,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {8,S} - 14 R 0 {9,S} - - Cs-(Cds-Cd)CtCtCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,S} {11,S} {12,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 C 0 {4,T} {14,S} - 10 R 0 {5,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {8,S} - 14 R 0 {9,S} - - Cs-(Cds-Cds)CtCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,S} {11,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,T} {15,S} - 9 C 0 {4,T} {16,S} - 10 R 0 {5,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {9,S} - - Cs-(Cds-Cdd)CtCtCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,S} {11,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {14,S} - 9 C 0 {4,T} {15,S} - 10 R 0 {5,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {9,S} - - Cs-(Cds-Cdd-Od)CtCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,S} {11,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {14,S} - 9 C 0 {4,T} {15,S} - 10 R 0 {5,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 O 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {9,S} - - Cs-(Cds-Cdd-Cd)CtCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,S} {11,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {14,S} - 9 C 0 {4,T} {15,S} - 10 R 0 {5,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 C 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {9,S} - - Cs-CbCtCdsCs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {10,S} - - Cs-(Cds-Od)CbCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {10,S} - - Cs-(Cds-Cd)CbCtCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {10,S} - - Cs-(Cds-Cds)CbCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {16,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {10,S} - - Cs-(Cds-Cdd)CbCtCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {15,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {6,D} - 15 R 0 {10,S} - - Cs-(Cds-Cdd-Od)CbCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {15,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 R 0 {10,S} - - Cs-(Cds-Cdd-Cd)CbCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {15,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 C 0 {6,D} - 15 R 0 {10,S} - - Cs-CbCbCdsCs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Od)CbCbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Cd)CbCbCs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-(Cds-Cds)CbCbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - - Cs-(Cds-Cdd)CbCbCs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CbCbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - 15 C 0 {6,D} - - Cs-CtCtCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,T} - 5 C 0 {1,S} {9,S} {10,S} {11,S} - 6 C 0 {2,T} {12,S} - 7 C 0 {3,T} {13,S} - 8 C 0 {4,T} {14,S} - 9 R 0 {5,S} - 10 R 0 {5,S} - 11 R 0 {5,S} - 12 R 0 {6,S} - 13 R 0 {7,S} - 14 R 0 {8,S} - - Cs-CbCtCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,S} {11,S} {12,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {13,S} - 9 C 0 {4,T} {14,S} - 10 R 0 {5,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {8,S} - 14 R 0 {9,S} - - Cs-CbCbCtCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {10,S} - - Cs-CbCbCbCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,S} {13,S} {14,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {5,S} - - Cs-CdsCdsCdsCds // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,D} - 13 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Od) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - 12 O 0 {5,D} - 13 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cd) // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,D} - 13 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {14,S} {15,S} - 13 R 0 {5,S} - 14 R 0 {12,S} - 15 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd) // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {14,D} - 13 R 0 {5,S} - 14 R 0 {12,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Od) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {14,D} - 13 R 0 {5,S} - 14 O 0 {12,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {14,D} - 13 R 0 {5,S} - 14 C 0 {12,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)(Cds-Cd) // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,D} - 13 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,S} {15,S} - 11 R 0 {4,S} - 12 C 0 {5,D} {16,S} {17,S} - 13 R 0 {5,S} - 14 R 0 {10,S} - 15 R 0 {10,S} - 16 R 0 {12,S} - 17 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cds) // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {15,S} {16,S} - 13 R 0 {5,S} - 14 R 0 {10,D} - 15 R 0 {12,S} - 16 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {15,S} {16,S} - 13 R 0 {5,S} - 14 O 0 {10,D} - 15 R 0 {12,S} - 16 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {15,S} {16,S} - 13 R 0 {5,S} - 14 C 0 {10,D} - 15 R 0 {12,S} - 16 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cdd) // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {15,D} - 13 R 0 {5,S} - 14 R 0 {10,D} - 15 R 0 {12,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {15,D} - 13 R 0 {5,S} - 14 O 0 {10,D} - 15 O 0 {12,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {15,D} - 13 R 0 {5,S} - 14 O 0 {10,D} - 15 C 0 {12,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {15,D} - 13 R 0 {5,S} - 14 C 0 {10,D} - 15 C 0 {12,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)(Cds-Cd) // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,D} - 13 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,S} {17,S} - 11 R 0 {4,S} - 12 C 0 {5,D} {18,S} {19,S} - 13 R 0 {5,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,S} - 17 R 0 {10,S} - 18 R 0 {12,S} - 19 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd) // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,S} {17,S} - 11 R 0 {4,S} - 12 C 0 {5,D} {18,D} - 13 R 0 {5,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,S} - 17 R 0 {10,S} - 18 R 0 {12,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,S} {17,S} - 11 R 0 {4,S} - 12 C 0 {5,D} {18,D} - 13 R 0 {5,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,S} - 17 R 0 {10,S} - 18 O 0 {12,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,S} {17,S} - 11 R 0 {4,S} - 12 C 0 {5,D} {18,D} - 13 R 0 {5,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,S} - 17 R 0 {10,S} - 18 C 0 {12,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {17,D} - 13 R 0 {5,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,D} - 17 R 0 {12,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {17,D} - 13 R 0 {5,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 O 0 {10,D} - 17 O 0 {12,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {17,D} - 13 R 0 {5,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 O 0 {10,D} - 17 C 0 {12,D} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {17,D} - 13 R 0 {5,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 C 0 {10,D} - 17 C 0 {12,D} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {16,D} - 13 R 0 {5,S} - 14 R 0 {8,D} - 15 R 0 {10,D} - 16 R 0 {12,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {16,D} - 13 R 0 {5,S} - 14 O 0 {8,D} - 15 O 0 {10,D} - 16 O 0 {12,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {16,D} - 13 R 0 {5,S} - 14 O 0 {8,D} - 15 O 0 {10,D} - 16 C 0 {12,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {16,D} - 13 R 0 {5,S} - 14 O 0 {8,D} - 15 C 0 {10,D} - 16 C 0 {12,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {16,D} - 13 R 0 {5,S} - 14 C 0 {8,D} - 15 C 0 {10,D} - 16 C 0 {12,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)(Cds-Cd) // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,D} - 13 R 0 {5,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,S} {19,S} - 11 R 0 {4,S} - 12 C 0 {5,D} {20,S} {21,S} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 R 0 {10,S} - 19 R 0 {10,S} - 20 R 0 {12,S} - 21 R 0 {12,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd) // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,S} {19,S} - 11 R 0 {4,S} - 12 C 0 {5,D} {20,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 R 0 {10,S} - 19 R 0 {10,S} - 20 R 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,S} {19,S} - 11 R 0 {4,S} - 12 C 0 {5,D} {20,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 R 0 {10,S} - 19 R 0 {10,S} - 20 O 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,S} {19,S} - 11 R 0 {4,S} - 12 C 0 {5,D} {20,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 R 0 {10,S} - 19 R 0 {10,S} - 20 C 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {19,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 R 0 {10,D} - 19 R 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {19,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 O 0 {10,D} - 19 O 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {19,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 O 0 {10,D} - 19 C 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {19,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 C 0 {10,D} - 19 C 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {18,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,D} - 17 R 0 {10,D} - 18 R 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {18,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 O 0 {8,D} - 17 O 0 {10,D} - 18 O 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {18,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 O 0 {8,D} - 17 O 0 {10,D} - 18 C 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {18,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 O 0 {8,D} - 17 C 0 {10,D} - 18 C 0 {12,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {18,D} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 C 0 {8,D} - 17 C 0 {10,D} - 18 C 0 {12,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {17,D} - 13 R 0 {5,S} - 14 R 0 {6,D} - 15 R 0 {8,D} - 16 R 0 {10,D} - 17 R 0 {12,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {17,D} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 O 0 {8,D} - 16 O 0 {10,D} - 17 O 0 {12,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {17,D} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 O 0 {8,D} - 16 O 0 {10,D} - 17 C 0 {12,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {17,D} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 O 0 {8,D} - 16 C 0 {10,D} - 17 C 0 {12,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {17,D} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 C 0 {8,D} - 16 C 0 {10,D} - 17 C 0 {12,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,D} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,D} {17,D} - 13 R 0 {5,S} - 14 C 0 {6,D} - 15 C 0 {8,D} - 16 C 0 {10,D} - 17 C 0 {12,D} - - Cs-CtCdsCdsCds // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Ct // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,S} {14,S} - 11 R 0 {4,S} - 12 C 0 {5,T} {15,S} - 13 R 0 {10,S} - 14 R 0 {10,S} - 15 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Ct // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {14,S} - 13 R 0 {10,D} - 14 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {14,S} - 13 O 0 {10,D} - 14 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {14,S} - 13 C 0 {10,D} - 14 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Ct // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,S} {16,S} - 11 R 0 {4,S} - 12 C 0 {5,T} {17,S} - 13 R 0 {8,S} - 14 R 0 {8,S} - 15 R 0 {10,S} - 16 R 0 {10,S} - 17 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Ct // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,S} {15,S} - 11 R 0 {4,S} - 12 C 0 {5,T} {16,S} - 13 R 0 {8,D} - 14 R 0 {10,S} - 15 R 0 {10,S} - 16 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,S} {15,S} - 11 R 0 {4,S} - 12 C 0 {5,T} {16,S} - 13 O 0 {8,D} - 14 R 0 {10,S} - 15 R 0 {10,S} - 16 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,S} {15,S} - 11 R 0 {4,S} - 12 C 0 {5,T} {16,S} - 13 C 0 {8,D} - 14 R 0 {10,S} - 15 R 0 {10,S} - 16 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Ct // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {15,S} - 13 R 0 {8,D} - 14 R 0 {10,D} - 15 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {15,S} - 13 O 0 {8,D} - 14 O 0 {10,D} - 15 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {15,S} - 13 O 0 {8,D} - 14 C 0 {10,D} - 15 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {15,S} - 13 C 0 {8,D} - 14 C 0 {10,D} - 15 R 0 {12,S} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Ct // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,S} {18,S} - 11 R 0 {4,S} - 12 C 0 {5,T} {19,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 R 0 {10,S} - 18 R 0 {10,S} - 19 R 0 {12,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Ct // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {18,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 R 0 {10,D} - 18 R 0 {12,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {18,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 O 0 {10,D} - 18 R 0 {12,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {18,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 C 0 {10,D} - 18 R 0 {12,S} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Ct // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {17,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,D} - 16 R 0 {10,D} - 17 R 0 {12,S} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {17,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 O 0 {8,D} - 16 O 0 {10,D} - 17 R 0 {12,S} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {17,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 O 0 {8,D} - 16 C 0 {10,D} - 17 R 0 {12,S} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {17,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 C 0 {8,D} - 16 C 0 {10,D} - 17 R 0 {12,S} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Ct // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {16,S} - 13 R 0 {6,D} - 14 R 0 {8,D} - 15 R 0 {10,D} - 16 R 0 {12,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {16,S} - 13 O 0 {6,D} - 14 O 0 {8,D} - 15 O 0 {10,D} - 16 R 0 {12,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {16,S} - 13 O 0 {6,D} - 14 O 0 {8,D} - 15 C 0 {10,D} - 16 R 0 {12,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {16,S} - 13 O 0 {6,D} - 14 C 0 {8,D} - 15 C 0 {10,D} - 16 R 0 {12,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,T} {16,S} - 13 C 0 {6,D} - 14 C 0 {8,D} - 15 C 0 {10,D} - 16 R 0 {12,S} - - Cs-CbCdsCdsCds // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cb // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,S} {15,S} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {10,S} - 15 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cb // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {10,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {10,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 C 0 {10,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cb // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,S} {17,S} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,S} - 17 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cb // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,S} {16,S} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {8,D} - 15 R 0 {10,S} - 16 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,S} {16,S} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {8,D} - 15 R 0 {10,S} - 16 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,S} {16,S} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 C 0 {8,D} - 15 R 0 {10,S} - 16 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cb // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {8,D} - 15 R 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {8,D} - 15 O 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {8,D} - 15 C 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 C 0 {8,D} - 15 C 0 {10,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cb // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,S} {19,S} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 R 0 {10,S} - 19 R 0 {10,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cb // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 R 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 O 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {18,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - 18 C 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cb // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,D} - 17 R 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 O 0 {8,D} - 17 O 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 O 0 {8,D} - 17 C 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 C 0 {8,D} - 17 C 0 {10,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cb // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,D} - 15 R 0 {8,D} - 16 R 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {6,D} - 15 O 0 {8,D} - 16 O 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {6,D} - 15 O 0 {8,D} - 16 C 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {6,D} - 15 C 0 {8,D} - 16 C 0 {10,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 C 0 {6,D} - 15 C 0 {8,D} - 16 C 0 {10,D} - - Cs-CtCtCdsCds // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 C 0 {5,T} {13,S} - 12 R 0 {10,S} - 13 R 0 {11,S} - - Cs-(Cds-Od)(Cds-Od)CtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 C 0 {5,T} {13,S} - 12 R 0 {10,S} - 13 R 0 {11,S} - - Cs-(Cds-Od)(Cds-Cd)CtCt // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 C 0 {5,T} {13,S} - 12 R 0 {10,S} - 13 R 0 {11,S} - - Cs-(Cds-Od)(Cds-Cds)CtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 C 0 {5,T} {15,S} - 12 R 0 {8,S} - 13 R 0 {8,S} - 14 R 0 {10,S} - 15 R 0 {11,S} - - Cs-(Cds-Od)(Cds-Cdd)CtCt // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 C 0 {5,T} {14,S} - 12 R 0 {8,D} - 13 R 0 {10,S} - 14 R 0 {11,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)CtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 C 0 {5,T} {14,S} - 12 O 0 {8,D} - 13 R 0 {10,S} - 14 R 0 {11,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 C 0 {5,T} {14,S} - 12 C 0 {8,D} - 13 R 0 {10,S} - 14 R 0 {11,S} - - Cs-(Cds-Cd)(Cds-Cd)CtCt // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 C 0 {5,T} {13,S} - 12 R 0 {10,S} - 13 R 0 {11,S} - - Cs-(Cds-Cds)(Cds-Cds)CtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {16,S} - 11 C 0 {5,T} {17,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,S} - 17 R 0 {11,S} - - Cs-(Cds-Cdd)(Cds-Cds)CtCt // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {15,S} - 11 C 0 {5,T} {16,S} - 12 R 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - 15 R 0 {10,S} - 16 R 0 {11,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {15,S} - 11 C 0 {5,T} {16,S} - 12 O 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - 15 R 0 {10,S} - 16 R 0 {11,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {15,S} - 11 C 0 {5,T} {16,S} - 12 C 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - 15 R 0 {10,S} - 16 R 0 {11,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CtCt // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 C 0 {5,T} {15,S} - 12 R 0 {6,D} - 13 R 0 {8,D} - 14 R 0 {10,S} - 15 R 0 {11,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 C 0 {5,T} {15,S} - 12 O 0 {6,D} - 13 O 0 {8,D} - 14 R 0 {10,S} - 15 R 0 {11,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 C 0 {5,T} {15,S} - 12 O 0 {6,D} - 13 C 0 {8,D} - 14 R 0 {10,S} - 15 R 0 {11,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 C 0 {5,T} {15,S} - 12 C 0 {6,D} - 13 C 0 {8,D} - 14 R 0 {10,S} - 15 R 0 {11,S} - - Cs-CbCtCdsCds // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Od)CbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cd)CbCt // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cds)CbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {15,S} - 13 R 0 {8,S} - 14 R 0 {8,S} - 15 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cdd)CbCt // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {14,S} - 13 R 0 {8,D} - 14 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)CbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {14,S} - 13 O 0 {8,D} - 14 R 0 {12,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {14,S} - 13 C 0 {8,D} - 14 R 0 {12,S} - - Cs-(Cds-Cd)(Cds-Cd)CbCt // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Cds)(Cds-Cds)CbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {17,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 R 0 {12,S} - - Cs-(Cds-Cdd)(Cds-Cds)CbCt // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {16,S} - 13 R 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {12,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {16,S} - 13 O 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {12,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {16,S} - 13 C 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {12,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CbCt // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {15,S} - 13 R 0 {6,D} - 14 R 0 {8,D} - 15 R 0 {12,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {15,S} - 13 O 0 {6,D} - 14 O 0 {8,D} - 15 R 0 {12,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {15,S} - 13 O 0 {6,D} - 14 C 0 {8,D} - 15 R 0 {12,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {15,S} - 13 C 0 {6,D} - 14 C 0 {8,D} - 15 R 0 {12,S} - - Cs-CbCbCdsCds // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Od)(Cds-Od)CbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Od)(Cds-Cd)CbCb // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Od)(Cds-Cds)CbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {8,S} - 15 R 0 {8,S} - - Cs-(Cds-Od)(Cds-Cdd)CbCb // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)CbCb // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Cds)(Cds-Cds)CbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cds)CbCb // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,D} - 15 R 0 {8,S} - 16 R 0 {8,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {6,D} - 15 R 0 {8,S} - 16 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 C 0 {6,D} - 15 R 0 {8,S} - 16 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CbCb // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,D} - 15 R 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {6,D} - 15 O 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {6,D} - 15 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 C 0 {6,D} - 15 C 0 {8,D} - - Cs-CtCtCtCds // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,T} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,T} {12,S} - 10 C 0 {5,T} {13,S} - 11 R 0 {8,S} - 12 R 0 {9,S} - 13 R 0 {10,S} - - Cs-(Cds-Od)CtCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,T} {12,S} - 10 C 0 {5,T} {13,S} - 11 R 0 {8,S} - 12 R 0 {9,S} - 13 R 0 {10,S} - - Cs-(Cds-Cd)CtCtCt // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,T} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,T} {12,S} - 10 C 0 {5,T} {13,S} - 11 R 0 {8,S} - 12 R 0 {9,S} - 13 R 0 {10,S} - - Cs-(Cds-Cds)CtCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,T} - 6 C 0 {2,D} {11,S} {12,S} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 C 0 {4,T} {14,S} - 10 C 0 {5,T} {15,S} - 11 R 0 {6,S} - 12 R 0 {6,S} - 13 R 0 {8,S} - 14 R 0 {9,S} - 15 R 0 {10,S} - - Cs-(Cds-Cdd)CtCtCt // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,T} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 C 0 {4,T} {13,S} - 10 C 0 {5,T} {14,S} - 11 R 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {9,S} - 14 R 0 {10,S} - - Cs-(Cds-Cdd-Od)CtCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,T} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 C 0 {4,T} {13,S} - 10 C 0 {5,T} {14,S} - 11 O 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {9,S} - 14 R 0 {10,S} - - Cs-(Cds-Cdd-Cd)CtCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,T} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 C 0 {4,T} {13,S} - 10 C 0 {5,T} {14,S} - 11 C 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {9,S} - 14 R 0 {10,S} - - Cs-CbCtCtCds // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {12,S} - 11 C 0 {5,T} {13,S} - 12 R 0 {10,S} - 13 R 0 {11,S} - - Cs-(Cds-Od)CbCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {12,S} - 11 C 0 {5,T} {13,S} - 12 R 0 {10,S} - 13 R 0 {11,S} - - Cs-(Cds-Cd)CbCtCt // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {12,S} - 11 C 0 {5,T} {13,S} - 12 R 0 {10,S} - 13 R 0 {11,S} - - Cs-(Cds-Cds)CbCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {14,S} - 11 C 0 {5,T} {15,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {10,S} - 15 R 0 {11,S} - - Cs-(Cds-Cdd)CbCtCt // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {13,S} - 11 C 0 {5,T} {14,S} - 12 R 0 {6,D} - 13 R 0 {10,S} - 14 R 0 {11,S} - - Cs-(Cds-Cdd-Od)CbCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {13,S} - 11 C 0 {5,T} {14,S} - 12 O 0 {6,D} - 13 R 0 {10,S} - 14 R 0 {11,S} - - Cs-(Cds-Cdd-Cd)CbCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {13,S} - 11 C 0 {5,T} {14,S} - 12 C 0 {6,D} - 13 R 0 {10,S} - 14 R 0 {11,S} - - Cs-CbCbCtCds // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Od)CbCbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Cd)CbCbCt // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-(Cds-Cds)CbCbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {15,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {12,S} - - Cs-(Cds-Cdd)CbCbCt // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {14,S} - 13 R 0 {6,D} - 14 R 0 {12,S} - - Cs-(Cds-Cdd-Od)CbCbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {14,S} - 13 O 0 {6,D} - 14 R 0 {12,S} - - Cs-(Cds-Cdd-Cd)CbCbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {14,S} - 13 C 0 {6,D} - 14 R 0 {12,S} - - Cs-CbCbCbCds // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Od)CbCbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Cd)CbCbCb // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-(Cds-Cds)CbCbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,S} - 15 R 0 {6,S} - - Cs-(Cds-Cdd)CbCbCb // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CbCbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - 14 C 0 {6,D} - - Cs-CtCtCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,T} - 5 C 0 {1,S} {9,T} - 6 C 0 {2,T} {10,S} - 7 C 0 {3,T} {11,S} - 8 C 0 {4,T} {12,S} - 9 C 0 {5,T} {13,S} - 10 R 0 {6,S} - 11 R 0 {7,S} - 12 R 0 {8,S} - 13 R 0 {9,S} - - Cs-CbCtCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 C 0 {1,S} {10,T} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,T} {12,S} - 10 C 0 {5,T} {13,S} - 11 R 0 {8,S} - 12 R 0 {9,S} - 13 R 0 {10,S} - - Cs-CbCbCtCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 C 0 {1,S} {11,T} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {12,S} - 11 C 0 {5,T} {13,S} - 12 R 0 {10,S} - 13 R 0 {11,S} - - Cs-CbCbCbCt - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,T} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,T} {13,S} - 13 R 0 {12,S} - - Cs-CbCbCbCb - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 C 0 {1,S} {12,B} {13,B} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 C 0 {5,B} - 13 C 0 {5,B} - - Cs-CCCOs // L3 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 C 0 {1,S} - 5 O 0 {1,S} {6,S} - 6 R 0 {5,S} - - Cs-CsCsCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,S} {7,S} {8,S} - 3 C 0 {1,S} {9,S} {10,S} {11,S} - 4 C 0 {1,S} {12,S} {13,S} {14,S} - 5 O 0 {1,S} {15,S} - 6 R 0 {2,S} - 7 R 0 {2,S} - 8 R 0 {2,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {3,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {4,S} - 15 R 0 {5,S} - - Cs-CdsCsCsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 O 0 {1,S} {14,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - - Cs-(Cds-Od)CsCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 O 0 {1,S} {14,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - - Cs-(Cds-Cd)CsCsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 O 0 {1,S} {14,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - - Cs-(Cds-Cds)CsCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 O 0 {1,S} {14,S} - 6 C 0 {2,D} {15,S} {16,S} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 R 0 {6,S} - 16 R 0 {6,S} - - Cs-(Cds-Cdd)CsCsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 O 0 {1,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CsCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 O 0 {1,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 O 0 {1,S} {14,S} - 6 C 0 {2,D} {15,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - 15 C 0 {6,D} - - Cs-OsCtCsCs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 O 0 {1,S} {6,S} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 C 0 {1,S} {11,S} {12,S} {13,S} - 6 R 0 {2,S} - 7 C 0 {3,T} {14,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {5,S} - 13 R 0 {5,S} - 14 R 0 {7,S} - - Cs-CbCsCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 C 0 {1,S} {11,S} {12,S} {13,S} - 5 O 0 {1,S} {14,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {4,S} - 14 R 0 {5,S} - - Cs-CdsCdsCsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)CsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cd)CsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cds)CsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - - Cs-(Cds-Od)(Cds-Cdd)CsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 O 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)CsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - - Cs-(Cds-Cds)(Cds-Cds)CsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {16,S} {17,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - 16 R 0 {8,S} - 17 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cds)CsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {6,D} - 15 R 0 {8,S} - 16 R 0 {8,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 R 0 {8,S} - 16 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 C 0 {6,D} - 15 R 0 {8,S} - 16 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {6,D} - 15 R 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 O 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 O 0 {6,D} - 15 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 C 0 {6,D} - 15 C 0 {8,D} - - Cs-CtCdsCsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {8,S} - - Cs-(Cds-Od)CtCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {8,S} - - Cs-(Cds-Cd)CtCsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {8,S} - - Cs-(Cds-Cds)CtCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,T} {15,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - - Cs-(Cds-Cdd)CtCsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {14,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,D} - 14 R 0 {8,S} - - Cs-(Cds-Cdd-Od)CtCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {14,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 O 0 {6,D} - 14 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)CtCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {14,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 C 0 {6,D} - 14 R 0 {8,S} - - Cs-CbCdsCsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - - Cs-(Cds-Od)CbCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - - Cs-(Cds-Cd)CbCsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - - Cs-(Cds-Cds)CbCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,S} {15,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {6,S} - 15 R 0 {6,S} - - Cs-(Cds-Cdd)CbCsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CbCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,D} {14,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - 14 C 0 {6,D} - - Cs-CtCtCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,S} {9,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,T} {12,S} - 7 C 0 {3,T} {13,S} - 8 R 0 {4,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {6,S} - 13 R 0 {7,S} - - Cs-CbCtCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,S} {10,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {13,S} - 9 R 0 {4,S} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {8,S} - - Cs-CbCbCsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,S} {11,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {4,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - - Cs-CdsCdsCdsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Od)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 O 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Os // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,S} {14,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {10,S} - 14 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Os // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {10,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 O 0 {10,D} - - Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {13,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 C 0 {10,D} - - Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Os // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,S} {16,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {8,S} - 14 R 0 {8,S} - 15 R 0 {10,S} - 16 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Os // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,S} {15,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {8,D} - 14 R 0 {10,S} - 15 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,S} {15,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 O 0 {8,D} - 14 R 0 {10,S} - 15 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,S} {15,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 C 0 {8,D} - 14 R 0 {10,S} - 15 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Os // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {8,D} - 14 R 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 O 0 {8,D} - 14 O 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 O 0 {8,D} - 14 C 0 {10,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {14,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 C 0 {8,D} - 14 C 0 {10,D} - - Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Os // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,S} {18,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 R 0 {10,S} - 18 R 0 {10,S} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Os // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 R 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 O 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,D} {17,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - 17 C 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Os // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,D} - 16 R 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 O 0 {8,D} - 16 O 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 O 0 {8,D} - 16 C 0 {10,D} - - Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {16,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 C 0 {8,D} - 16 C 0 {10,D} - - Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Os // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,D} - 14 R 0 {8,D} - 15 R 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 O 0 {6,D} - 14 O 0 {8,D} - 15 O 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 O 0 {6,D} - 14 O 0 {8,D} - 15 C 0 {10,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 O 0 {6,D} - 14 C 0 {8,D} - 15 C 0 {10,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,D} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,D} {15,D} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 C 0 {6,D} - 14 C 0 {8,D} - 15 C 0 {10,D} - - Cs-CtCdsCdsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 R 0 {5,S} - 12 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Od)CtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 R 0 {5,S} - 12 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cd)CtOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 R 0 {5,S} - 12 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cds)CtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {8,S} - 13 R 0 {8,S} - 14 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd)CtOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 R 0 {5,S} - 12 R 0 {8,D} - 13 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Od)CtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 R 0 {5,S} - 12 O 0 {8,D} - 13 R 0 {10,S} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {13,S} - 11 R 0 {5,S} - 12 C 0 {8,D} - 13 R 0 {10,S} - - Cs-(Cds-Cd)(Cds-Cd)CtOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {12,S} - 11 R 0 {5,S} - 12 R 0 {10,S} - - Cs-(Cds-Cds)(Cds-Cds)CtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {16,S} - 11 R 0 {5,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - 16 R 0 {10,S} - - Cs-(Cds-Cdd)(Cds-Cds)CtOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {15,S} - 11 R 0 {5,S} - 12 R 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - 15 R 0 {10,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {15,S} - 11 R 0 {5,S} - 12 O 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - 15 R 0 {10,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,T} {15,S} - 11 R 0 {5,S} - 12 C 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - 15 R 0 {10,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CtOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {6,D} - 13 R 0 {8,D} - 14 R 0 {10,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 O 0 {6,D} - 13 O 0 {8,D} - 14 R 0 {10,S} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 O 0 {6,D} - 13 C 0 {8,D} - 14 R 0 {10,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 C 0 {6,D} - 13 C 0 {8,D} - 14 R 0 {10,S} - - Cs-CbCdsCdsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)CbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cd)CbOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cds)CbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {8,S} - 14 R 0 {8,S} - - Cs-(Cds-Od)(Cds-Cdd)CbOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)CbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 O 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)CbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)CbOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - - Cs-(Cds-Cds)(Cds-Cds)CbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {15,S} {16,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - 15 R 0 {8,S} - 16 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cds)CbOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {8,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)CbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 O 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)CbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 C 0 {6,D} - 14 R 0 {8,S} - 15 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cdd)CbOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {6,D} - 14 R 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 O 0 {6,D} - 14 O 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 O 0 {6,D} - 14 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,D} - 9 R 0 {3,S} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 C 0 {6,D} - 14 C 0 {8,D} - - Cs-CtCtCdsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 O 0 {1,S} {10,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,T} {12,S} - 10 R 0 {5,S} - 11 R 0 {8,S} - 12 R 0 {9,S} - - Cs-(Cds-Od)CtCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 O 0 {1,S} {10,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,T} {12,S} - 10 R 0 {5,S} - 11 R 0 {8,S} - 12 R 0 {9,S} - - Cs-(Cds-Cd)CtCtOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,T} {12,S} - 10 R 0 {5,S} - 11 R 0 {8,S} - 12 R 0 {9,S} - - Cs-(Cds-Cds)CtCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,S} {12,S} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 C 0 {4,T} {14,S} - 10 R 0 {5,S} - 11 R 0 {6,S} - 12 R 0 {6,S} - 13 R 0 {8,S} - 14 R 0 {9,S} - - Cs-(Cds-Cdd)CtCtOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 C 0 {4,T} {13,S} - 10 R 0 {5,S} - 11 R 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {9,S} - - Cs-(Cds-Cdd-Od)CtCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 C 0 {4,T} {13,S} - 10 R 0 {5,S} - 11 O 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {9,S} - - Cs-(Cds-Cdd-Cd)CtCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 C 0 {4,T} {13,S} - 10 R 0 {5,S} - 11 C 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {9,S} - - Cs-CbCtCdsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {12,S} - 11 R 0 {5,S} - 12 R 0 {10,S} - - Cs-(Cds-Od)CbCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {12,S} - 11 R 0 {5,S} - 12 R 0 {10,S} - - Cs-(Cds-Cd)CbCtOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {12,S} - 11 R 0 {5,S} - 12 R 0 {10,S} - - Cs-(Cds-Cds)CbCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {14,S} - 11 R 0 {5,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {10,S} - - Cs-(Cds-Cdd)CbCtOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {13,S} - 11 R 0 {5,S} - 12 R 0 {6,D} - 13 R 0 {10,S} - - Cs-(Cds-Cdd-Od)CbCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {13,S} - 11 R 0 {5,S} - 12 O 0 {6,D} - 13 R 0 {10,S} - - Cs-(Cds-Cdd-Cd)CbCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {13,S} - 11 R 0 {5,S} - 12 C 0 {6,D} - 13 R 0 {10,S} - - Cs-CbCbCdsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - - Cs-(Cds-Od)CbCbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - - Cs-(Cds-Cd)CbCbOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - - Cs-(Cds-Cds)CbCbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - - Cs-(Cds-Cdd)CbCbOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CbCbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbCbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - 13 C 0 {6,D} - - Cs-CtCtCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 C 0 {1,S} {8,T} - 5 O 0 {1,S} {9,S} - 6 C 0 {2,T} {10,S} - 7 C 0 {3,T} {11,S} - 8 C 0 {4,T} {12,S} - 9 R 0 {5,S} - 10 R 0 {6,S} - 11 R 0 {7,S} - 12 R 0 {8,S} - - Cs-CbCtCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 C 0 {1,S} {9,T} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {11,S} - 9 C 0 {4,T} {12,S} - 10 R 0 {5,S} - 11 R 0 {8,S} - 12 R 0 {9,S} - - Cs-CbCbCtOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,T} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,T} {12,S} - 11 R 0 {5,S} - 12 R 0 {10,S} - - Cs-CbCbCbOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 C 0 {1,S} {10,B} {11,B} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 C 0 {4,B} - 11 C 0 {4,B} - 12 R 0 {5,S} - - Cs-CCOsOs // L3 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 O 0 {1,S} {6,S} - 5 O 0 {1,S} {7,S} - 6 R 0 {4,S} - 7 R 0 {5,S} - - Cs-CsCsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,S} {7,S} {8,S} - 3 C 0 {1,S} {9,S} {10,S} {11,S} - 4 O 0 {1,S} {12,S} - 5 O 0 {1,S} {13,S} - 6 R 0 {2,S} - 7 R 0 {2,S} - 8 R 0 {2,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {3,S} - 12 R 0 {4,S} - 13 R 0 {5,S} - - Cs-CdsCsOsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - - Cs-(Cds-Od)CsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - - Cs-(Cds-Cd)CsOsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - - Cs-(Cds-Cds)CsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,S} {14,S} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,S} - 14 R 0 {6,S} - - Cs-(Cds-Cdd)CsOsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,D} {13,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - 13 C 0 {6,D} - - Cs-CdsCdsOsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Od)OsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cd)OsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - - Cs-(Cds-Od)(Cds-Cds)OsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {8,S} - 13 R 0 {8,S} - - Cs-(Cds-Od)(Cds-Cdd)OsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)OsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 O 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)OsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)OsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - - Cs-(Cds-Cds)(Cds-Cds)OsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {14,S} {15,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - 14 R 0 {8,S} - 15 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cds)OsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 O 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)OsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 C 0 {6,D} - 13 R 0 {8,S} - 14 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cdd)OsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {6,D} - 13 R 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 O 0 {6,D} - 13 O 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 O 0 {6,D} - 13 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 C 0 {6,D} - 13 C 0 {8,D} - - Cs-CtCsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,S} {8,S} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,T} {12,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {6,S} - - Cs-CtCdsOsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 R 0 {8,S} - - Cs-(Cds-Od)CtOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 R 0 {8,S} - - Cs-(Cds-Cd)CtOsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 R 0 {8,S} - - Cs-(Cds-Cds)CtOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,S} {12,S} - 7 R 0 {2,S} - 8 C 0 {3,T} {13,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 R 0 {6,S} - 12 R 0 {6,S} - 13 R 0 {8,S} - - Cs-(Cds-Cdd)CtOsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 R 0 {6,D} - 12 R 0 {8,S} - - Cs-(Cds-Cdd-Od)CtOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 O 0 {6,D} - 12 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)CtOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 C 0 {6,D} - 12 R 0 {8,S} - - Cs-CtCtOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 O 0 {1,S} {8,S} - 5 O 0 {1,S} {9,S} - 6 C 0 {2,T} {10,S} - 7 C 0 {3,T} {11,S} - 8 R 0 {4,S} - 9 R 0 {5,S} - 10 R 0 {6,S} - 11 R 0 {7,S} - - Cs-CbCsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 O 0 {1,S} {12,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {5,S} - - Cs-CbCdsOsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {5,S} - - Cs-(Cds-Od)CbOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {5,S} - - Cs-(Cds-Cd)CbOsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {5,S} - - Cs-(Cds-Cds)CbOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - - Cs-(Cds-Cdd)CbOsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CbOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {5,S} - 12 C 0 {6,D} - - Cs-CbCtOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {11,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 R 0 {8,S} - - Cs-CbCbOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {5,S} - - Cs-COsOsOs // L3 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 O 0 {1,S} {6,S} - 4 O 0 {1,S} {7,S} - 5 O 0 {1,S} {8,S} - 6 R 0 {3,S} - 7 R 0 {4,S} - 8 R 0 {5,S} - - Cs-CsOsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,S} {7,S} {8,S} - 3 O 0 {1,S} {9,S} - 4 O 0 {1,S} {10,S} - 5 O 0 {1,S} {11,S} - 6 R 0 {2,S} - 7 R 0 {2,S} - 8 R 0 {2,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {5,S} - - Cs-CdsOsOsOs // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - - Cs-(Cds-Od)OsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - - Cs-(Cds-Cd)OsOsOs // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - - Cs-(Cds-Cds)OsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,S} {12,S} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 R 0 {6,S} - 12 R 0 {6,S} - - Cs-(Cds-Cdd)OsOsOs // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 R 0 {6,D} - - Cs-(Cds-Cdd-Od)OsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)OsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - 11 C 0 {6,D} - - Cs-CtOsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 O 0 {1,S} {7,S} - 4 O 0 {1,S} {8,S} - 5 O 0 {1,S} {9,S} - 6 C 0 {2,T} {10,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {5,S} - 10 R 0 {6,S} - - Cs-CbOsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 O 0 {1,S} {10,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {5,S} - - Cs-OsOsOsOs - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 O 0 {1,S} {6,S} - 3 O 0 {1,S} {7,S} - 4 O 0 {1,S} {8,S} - 5 O 0 {1,S} {9,S} - 6 R 0 {2,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {5,S} - - Cs-COsOsH // L3 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 O 0 {1,S} {6,S} - 4 O 0 {1,S} {7,S} - 5 H 0 {1,S} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Cs-CsOsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,S} {7,S} {8,S} - 3 O 0 {1,S} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 R 0 {2,S} - 7 R 0 {2,S} - 8 R 0 {2,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - - Cs-CdsOsOsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - - Cs-(Cds-Od)OsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - - Cs-(Cds-Cd)OsOsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - - Cs-(Cds-Cds)OsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,S} {11,S} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {6,S} - - Cs-(Cds-Cdd)OsOsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 R 0 {6,D} - - Cs-(Cds-Cdd-Od)OsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)OsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {4,S} - 10 C 0 {6,D} - - Cs-CtOsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 O 0 {1,S} {7,S} - 4 O 0 {1,S} {8,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {9,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - 9 R 0 {6,S} - - Cs-CbOsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 O 0 {1,S} {8,S} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 R 0 {3,S} - 9 R 0 {4,S} - - Cs-CCOsH // L3 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - 4 O 0 {1,S} {6,S} - 5 H 0 {1,S} - 6 R 0 {4,S} - - Cs-CsCsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,S} {7,S} {8,S} - 3 C 0 {1,S} {9,S} {10,S} {11,S} - 4 O 0 {1,S} {12,S} - 5 H 0 {1,S} - 6 R 0 {2,S} - 7 R 0 {2,S} - 8 R 0 {2,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {3,S} - 12 R 0 {4,S} - - Cs-CdsCsOsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - - Cs-(Cds-Od)CsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - - Cs-(Cds-Cd)CsOsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - - Cs-(Cds-Cds)CsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,S} {13,S} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {6,S} - 13 R 0 {6,S} - - Cs-(Cds-Cdd)CsOsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {12,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - 12 C 0 {6,D} - - Cs-CdsCdsOsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - - Cs-(Cds-Od)(Cds-Od)OsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 O 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - - Cs-(Cds-Od)(Cds-Cd)OsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - - Cs-(Cds-Od)(Cds-Cds)OsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,S} {12,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {8,S} - 12 R 0 {8,S} - - Cs-(Cds-Od)(Cds-Cdd)OsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Od)OsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 O 0 {8,D} - - Cs-(Cds-Od)(Cds-Cdd-Cd)OsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {11,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 C 0 {8,D} - - Cs-(Cds-Cd)(Cds-Cd)OsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - - Cs-(Cds-Cds)(Cds-Cds)OsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,S} {12,S} - 7 R 0 {2,S} - 8 C 0 {3,D} {13,S} {14,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {6,S} - 12 R 0 {6,S} - 13 R 0 {8,S} - 14 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cds)OsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {8,S} - - Cs-(Cds-Cdd-Od)(Cds-Cds)OsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 O 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)(Cds-Cds)OsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,S} {13,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 C 0 {6,D} - 12 R 0 {8,S} - 13 R 0 {8,S} - - Cs-(Cds-Cdd)(Cds-Cdd)OsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {6,D} - 12 R 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 O 0 {6,D} - 12 O 0 {8,D} - - Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 O 0 {6,D} - 12 C 0 {8,D} - - Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,D} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,D} {12,D} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 C 0 {6,D} - 12 C 0 {8,D} - - Cs-CtCsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,S} {8,S} {9,S} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {11,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {4,S} - 11 R 0 {6,S} - - Cs-CtCdsOsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {10,S} - 9 R 0 {4,S} - 10 R 0 {8,S} - - Cs-(Cds-Od)CtOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {10,S} - 9 R 0 {4,S} - 10 R 0 {8,S} - - Cs-(Cds-Cd)CtOsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {10,S} - 9 R 0 {4,S} - 10 R 0 {8,S} - - Cs-(Cds-Cds)CtOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,S} {11,S} - 7 R 0 {2,S} - 8 C 0 {3,T} {12,S} - 9 R 0 {4,S} - 10 R 0 {6,S} - 11 R 0 {6,S} - 12 R 0 {8,S} - - Cs-(Cds-Cdd)CtOsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 R 0 {4,S} - 10 R 0 {6,D} - 11 R 0 {8,S} - - Cs-(Cds-Cdd-Od)CtOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 R 0 {4,S} - 10 O 0 {6,D} - 11 R 0 {8,S} - - Cs-(Cds-Cdd-Cd)CtOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {10,D} - 7 R 0 {2,S} - 8 C 0 {3,T} {11,S} - 9 R 0 {4,S} - 10 C 0 {6,D} - 11 R 0 {8,S} - - Cs-CtCtOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 C 0 {1,S} {7,T} - 4 O 0 {1,S} {8,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {9,S} - 7 C 0 {3,T} {10,S} - 8 R 0 {4,S} - 9 R 0 {6,S} - 10 R 0 {7,S} - - Cs-CbCsOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,S} {9,S} {10,S} - 4 O 0 {1,S} {11,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 R 0 {3,S} - 9 R 0 {3,S} - 10 R 0 {3,S} - 11 R 0 {4,S} - - Cs-CbCdsOsH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - - Cs-(Cds-Od)CbOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - - Cs-(Cds-Cd)CbOsH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - - Cs-(Cds-Cds)CbOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,S} {12,S} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {6,S} - 12 R 0 {6,S} - - Cs-(Cds-Cdd)CbOsH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 R 0 {6,D} - - Cs-(Cds-Cdd-Od)CbOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)CbOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {11,D} - 7 R 0 {2,S} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - 11 C 0 {6,D} - - Cs-CbCtOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,T} - 4 O 0 {1,S} {9,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,T} {10,S} - 9 R 0 {4,S} - 10 R 0 {8,S} - - Cs-CbCbOsH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 C 0 {1,S} {8,B} {9,B} - 4 O 0 {1,S} {10,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 C 0 {3,B} - 9 C 0 {3,B} - 10 R 0 {4,S} - - Cs-COsHH // L3 Node -1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} - 3 O 0 {1,S} {6,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {3,S} - - - Cs-CsOsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,S} {7,S} {8,S} - 3 O 0 {1,S} {9,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,S} - 7 R 0 {2,S} - 8 R 0 {2,S} - 9 R 0 {3,S} - - Cs-CdsOsHH // L4 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 R 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - - Cs-(Cds-Od)OsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 O 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - - Cs-(Cds-Cd)OsHH // L5 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - - Cs-(Cds-Cds)OsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {9,S} {10,S} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {6,S} - 10 R 0 {6,S} - - Cs-(Cds-Cdd)OsHH // L6 Node - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {9,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 R 0 {6,D} - - Cs-(Cds-Cdd-Od)OsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {9,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 O 0 {6,D} - - Cs-(Cds-Cdd-Cd)OsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,D} {7,S} - 3 O 0 {1,S} {8,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,D} {9,D} - 7 R 0 {2,S} - 8 R 0 {3,S} - 9 C 0 {6,D} - - Cs-CtOsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,T} - 3 O 0 {1,S} {7,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,T} {8,S} - 7 R 0 {3,S} - 8 R 0 {6,S} - - Cs-CbOsHH - 1 * C 0 {2,S} {3,S} {4,S} {5,S} - 2 C 0 {1,S} {6,B} {7,B} - 3 O 0 {1,S} {8,S} - 4 H 0 {1,S} - 5 H 0 {1,S} - 6 C 0 {2,B} - 7 C 0 {2,B} - 8 R 0 {3,S} - -////////////////////////////////////////////////////////////////// -// Oxygen adjacency List -// Joanna Yu -// Oct. 30, 2002 -// -// Jing Song: get rid of the dots following the index -// Nov 7, 2002 -////////////////////////////////////////////////////////////////// - - O // L1 Node - 1 * O 0 - - Od // L2 Node - 1 * O 0 {2,D} - 2 R 0 {1,D} - - Od-Cd // This group is not defined here. C should be the central atom. - 1 * O 0 {2,D} - 2 C 0 {1,D} - - Od-Od - 1 * O 0 {2,D} - 2 O 0 {1,D} - - Os // L2 Node - 1 * O 0 {2,S} {3,S} - 2 R 0 {1,S} - 3 R 0 {1,S} - - Os-HH - 1 * O 0 {2,S} {3,S} - 2 H 0 {1,S} - 3 H 0 {1,S} - - Os-OsH - 1 * O 0 {2,S} {3,S} - 2 O 0 {1,S} - 3 H 0 {1,S} - - Os-OsOs - 1 * O 0 {2,S} {3,S} - 2 O 0 {1,S} - 3 O 0 {1,S} - - Os-CH // L3 Node - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 H 0 {1,S} - - Os-CtH - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,T} - 3 H 0 {1,S} - 4 C 0 {2,T} {5,S} - 5 R 0 {4,S} - - Os-CdsH // L4 Node - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,D} {5,S} - 3 H 0 {1,S} - 4 R 0 {2,D} - 5 R 0 {2,S} - - Os-(Cds-Od)H - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,D} {5,S} - 3 H 0 {1,S} - 4 O 0 {2,D} - 5 R 0 {2,S} - - Os-(Cds-Cd)H - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,D} {5,S} - 3 H 0 {1,S} - 4 C 0 {2,D} - 5 R 0 {2,S} - - Os-CsH - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,S} {5,S} {6,S} - 3 H 0 {1,S} - 4 R 0 {2,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - - Os-CbH - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,B} {5,B} - 3 H 0 {1,S} - 4 C 0 {2,B} - 5 C 0 {2,B} - - Os-OsC // L3 Node - 1 * O 0 {2,S} {3,S} - 2 O 0 {1,S} - 3 C 0 {1,S} - - Os-OsCt - 1 * O 0 {2,S} {3,S} - 2 O 0 {1,S} {4,S} - 3 C 0 {1,S} {5,T} - 4 R 0 {2,S} - 5 C 0 {3,T} {6,S} - 6 R 0 {5,S} - - Os-OsCds // L4 Node - 1 * O 0 {2,S} {3,S} - 2 O 0 {1,S} {4,S} - 3 C 0 {1,S} {5,D} {6,S} - 4 R 0 {2,S} - 5 R 0 {3,D} - 6 R 0 {3,S} - - Os-Os(Cds-Od) - 1 * O 0 {2,S} {3,S} - 2 O 0 {1,S} {4,S} - 3 C 0 {1,S} {5,D} {6,S} - 4 R 0 {2,S} - 5 O 0 {3,D} - 6 R 0 {3,S} - - Os-Os(Cds-Cd) - 1 * O 0 {2,S} {3,S} - 2 O 0 {1,S} {4,S} - 3 C 0 {1,S} {5,D} {6,S} - 4 R 0 {2,S} - 5 C 0 {3,D} - 6 R 0 {3,S} - - Os-OsCs - 1 * O 0 {2,S} {3,S} - 2 O 0 {1,S} {4,S} - 3 C 0 {1,S} {5,S} {6,S} {7,S} - 4 R 0 {2,S} - 5 R 0 {3,S} - 6 R 0 {3,S} - 7 R 0 {3,S} - - Os-OsCb - 1 * O 0 {2,S} {3,S} - 2 O 0 {1,S} {4,S} - 3 C 0 {1,S} {5,B} {6,B} - 4 R 0 {2,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - - Os-CC // L3 Node - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} - 3 C 0 {1,S} - - Os-CtCt - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,T} - 3 C 0 {1,S} {5,T} - 4 C 0 {2,T} {6,S} - 5 C 0 {3,T} {7,S} - 6 R 0 {4,S} - 7 R 0 {5,S} - - Os-CtCds // L4 Node - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,T} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {2,T} {7,S} - 5 R 0 {3,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Os-Ct(Cds-Od) - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,T} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {2,T} {7,S} - 5 O 0 {3,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Os-Ct(Cds-Cd) - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,T} - 3 C 0 {1,S} {5,D} {6,S} - 4 C 0 {2,T} {7,S} - 5 C 0 {3,D} - 6 R 0 {3,S} - 7 R 0 {4,S} - - Os-CtCs - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,T} - 3 C 0 {1,S} {5,S} {6,S} {7,S} - 4 C 0 {2,T} {8,S} - 5 R 0 {3,S} - 6 R 0 {3,S} - 7 R 0 {3,S} - 8 R 0 {4,S} - - Os-CtCb - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,T} - 3 C 0 {1,S} {5,B} {6,B} - 4 C 0 {2,T} {7,S} - 5 C 0 {3,B} - 6 C 0 {3,B} - 7 R 0 {4,S} - - Os-CdsCds // L4 Node - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,D} {5,S} - 3 C 0 {1,S} {6,D} {7,S} - 4 R 0 {2,D} - 5 R 0 {2,S} - 6 R 0 {3,D} - 7 R 0 {3,S} - - Os-(Cds-Od)(Cds-Od) - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,D} {5,S} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {2,D} - 5 R 0 {2,S} - 6 O 0 {3,D} - 7 R 0 {3,S} - - Os-(Cds-Od)(Cds-Cd) - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,D} {5,S} - 3 C 0 {1,S} {6,D} {7,S} - 4 O 0 {2,D} - 5 R 0 {2,S} - 6 C 0 {3,D} - 7 R 0 {3,S} - - Os-(Cds-Cd)(Cds-Cd) - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,D} {5,S} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {2,D} - 5 R 0 {2,S} - 6 C 0 {3,D} - 7 R 0 {3,S} - - Os-CdsCs // L4 Node - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,S} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 R 0 {2,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,D} - 8 R 0 {3,S} - - Os-Cs(Cds-Od) - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,S} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 R 0 {2,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 O 0 {3,D} - 8 R 0 {3,S} - - Os-Cs(Cds-Cd) - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,S} {5,S} {6,S} - 3 C 0 {1,S} {7,D} {8,S} - 4 R 0 {2,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,D} - 8 R 0 {3,S} - - Os-CdsCb // L4 Node - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,B} {5,B} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {2,B} - 5 C 0 {2,B} - 6 R 0 {3,D} - 7 R 0 {3,S} - - Os-Cb(Cds-Od) - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,B} {5,B} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {2,B} - 5 C 0 {2,B} - 6 O 0 {3,D} - 7 R 0 {3,S} - - Os-Cb(Cds-Cd) - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,B} {5,B} - 3 C 0 {1,S} {6,D} {7,S} - 4 C 0 {2,B} - 5 C 0 {2,B} - 6 C 0 {3,D} - 7 R 0 {3,S} - - Os-CsCs - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,S} {5,S} {6,S} - 3 C 0 {1,S} {7,S} {8,S} {9,S} - 4 R 0 {2,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 R 0 {3,S} - 8 R 0 {3,S} - 9 R 0 {3,S} - - Os-CsCb - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,S} {5,S} {6,S} - 3 C 0 {1,S} {7,B} {8,B} - 4 R 0 {2,S} - 5 R 0 {2,S} - 6 R 0 {2,S} - 7 C 0 {3,B} - 8 C 0 {3,B} - - Os-CbCb - 1 * O 0 {2,S} {3,S} - 2 C 0 {1,S} {4,B} {5,B} - 3 C 0 {1,S} {6,B} {7,B} - 4 R 0 {2,B} - 5 R 0 {2,B} - 6 C 0 {3,B} - 7 C 0 {3,B} diff --git a/output/RMG_database_sulfur/thermo_groups/backup/Group_Library.txt b/output/RMG_database_sulfur/thermo_groups/backup/Group_Library.txt deleted file mode 100644 index d8821f9f68..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/backup/Group_Library.txt +++ /dev/null @@ -1,1137 +0,0 @@ -//# Group H S Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 Note -// unit -// H: kcal/mole -// S and Cp: cal/mole/K - -1 C Cs-CsCsCsCs -2 Cbf Cbf-CbCbCbf -3 Cbf-CbCbCbf 4.80 -5 3.68 3.68 4.2 4.61 5.2 5.7 6.2 "Cbf-CbfCbCb STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -4 Cbf-CbCbfCbf 3.70 -5 3.68 3.68 4.2 4.61 5.2 5.7 6.2 "Cbf-CbfCbfCb STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -5 Cbf-CbfCbfCbf 1.5 1.8 2 3.11 3.9 3.44 4.7 5.3 5.7 "Cbf-CbfCbfCbf STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -6 Cb Cb-Cs -7 Cb-H 3.30 11.53 3.24 4.44 5.46 6.3 7.54 8.41 9.73 Cb-H BENSON -8 Cb-Os -0.9 -10.2 3.9 5.3 6.2 6.6 6.9 6.9 7.07 Cb-O BENSON Cp1500=3D Cp1000*(Cp1500/Cp1000: Cb/Cd) -9 Cb-C Cb-Cs -10 Cb-Cs 5.51 -7.69 2.67 3.14 3.68 4.15 4.96 5.44 4.98 Cb-Cs BENSON -11 Cb-Cds Cb-(Cds-Cds) -12 Cb-(Cds-Od) 3.69 -7.8 3.59 3.97 4.38 4.72 5.28 5.61 5.75 "Cb-CO STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -13 Cb-(Cds-Cd) Cb-(Cds-Cds) -14 Cb-(Cds-Cds) 5.69 -7.8 3.59 3.97 4.38 4.72 5.28 5.61 5.75 "Cb-Cd STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -15 Cb-(Cds-Cdd) Cb-(Cds-Cdd-Cd) -16 Cb-(Cds-Cdd-Od) Cb-(Cds-Cds) -17 Cb-(Cds-Cdd-Cd) Cb-(Cds-Cds) -18 Cb-Ct 5.69 -7.8 3.59 3.97 4.38 4.72 5.28 5.61 5.75 "Cb-Ct STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -19 Cb-Cb 4.96 -8.64 3.33 4.22 4.89 5.27 5.76 5.95 6.05 Cb-Cb BENSON -20 Ct Ct-Cs -21 Ct-H 26.93 24.7 5.28 5.99 6.49 6.87 7.47 7.96 8.85 "Ct-H STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -22 Ct-Os 31.40 4.91 3.64 4.39 4.85 5.63 5.66 5.73 5.73 Ct-O MELIUS / hc#coh !!!WARNING! Cp1500 value taken as Cp1000 -23 Ct-C Ct-Cs -24 Ct-Cs 27.55 6.35 3.13 3.48 3.81 4.09 4.6 4.92 6.35 "Ct-Cs STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -25 Ct-Cds Ct-(Cds-Cds) -26 Ct-(Cds-Od) Ct-Cs -27 Ct-(Cds-Cd) Ct-(Cds-Cds) -28 Ct-(Cds-Cds) 28.20 6.43 2.57 3.54 3.5 4.92 5.34 5.5 5.8 "Ct-Cd STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -29 Ct-(Cds-Cdd) Ct-(Cds-Cdd-Cd) -30 Ct-(Cds-Cdd-Od) Ct-(Cds-Cds) -31 Ct-(Cds-Cdd-Cd) Ct-(Cds-Cds) -32 Ct-Ct 25.60 5.88 3.54 4.06 4.4 4.64 5 5.23 5.57 "Ct-Ct STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -33 Ct-Cb 24.67 6.43 2.57 3.54 3.5 4.92 5.34 5.5 5.8 "Ct-Cb STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -34 Cdd Cdd-CdsCds -35 Cdd-OdOd -94.05 52.46 8.91 9.86 10.65 11.31 12.32 12.99 13.93 CHEMKIN DATABASE: S(group) = S(CO2) + Rln(2) -36 Cdd-CdOd Cdd-CdsOd -37 Cdd-CdsOd 0 0 0 0 0 0 0 0 0 O=C*=C< currently treat the adjacent C as Ck -38 Cdd-CddOd Cdd-(Cdd-Cd)Od -39 Cdd-(Cdd-Cd)Od Cdd-CdsOd O=C*=C= currently not defined. Assigned same value as Ca -40 Cdd-(Cdd-Od)Od Cdd-CdsOd -41 Cdd-CdCd Cdd-CdsCds -42 Cdd-CddCdd Cdd-(Cdd-Cd)(Cdd-Cd) -43 Cdd-(Cdd-Od)(Cdd-Od) Cdd-CdsCds "O=C=C*=C=O, currently not defined. Assigned same value as Ca" -44 Cdd-(Cdd-Od)(Cdd-Cd) Cdd-(Cdd-Od)Cds "O=C=C*=C=C, currently not defined. Assigned same value as Ca" -45 Cdd-(Cdd-Cd)(Cdd-Cd) Cdd-CdsCds "C=C=C*=C=C, currently not defined. Assigned same value as Ca" -46 Cdd-CddCds Cdd-(Cdd-Cd)(Cdd-Cd) -47 Cdd-(Cdd-Od)Cds Cdd-CdsCds "O=C=C*=C<, currently not defined. Assigned same value as Ca " -48 Cdd-(Cdd-Cd)Cds Cdd-CdsCds "C=C=C*=C<, currently not defined. Assigned same value as Ca " -49 Cdd-CdsCds 34.20 6 3.9 4.4 4.7 5 5.3 5.5 5.7 "Ca STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714 " -50 Cds Cds-CdsCsCs -51 Cds-OdHH -26 53.68 8.47 9.38 10.46 11.52 13.37 14.81 14.81 CO-HH BENSON !!!WARNING! Cp1500 value taken as Cp1000, S(group) = S(CH2O) + Rln(2) -52 Cds-OdOsH -32.1 34.9 7.03 7.87 8.82 9.68 11.2 12.2 12.2 CO-OH BENSON !!!WARNING! Cp1500 value taken as Cp1000 -53 Cds-OdOsOs -31.45 10.78 5.97 6.7 7.4 8.02 8.87 9.36 9.36 "CO-OO BOZZELLI 8/91, S CO/C/O, Hf PEDLEY ccoc*oocc Bsn Hf-24 !!!WARNING! Cp1500 value taken as Cp1000" -54 Cds-OdCH Cds-OdCsH -55 Cds-OdCsH -29.1 34.9 7.03 7.87 8.82 9.68 11.2 12.2 12.2 CO-CsH BENSON !!!WARNING! Cp1500 value taken as Cp1000 -56 Cds-OdCdsH Cds-Od(Cds-Cds)H -57 Cds-Od(Cds-Od)H -25.3 33.4 7.45 8.77 9.82 10.7 12.14 12.9 12.9 "CO-COH Hf BENSON S,Cp =3D CO/Cs/H-del(Cd/Cd/H-Cd/Cs/H) !!!WARNING! Cp1500 value taken as Cp1000" -58 Cds-Od(Cds-Cd)H Cds-Od(Cds-Cds)H -59 Cds-Od(Cds-Cds)H -30.9 33.4 7.45 8.77 9.82 10.7 12.14 12.9 12.9 "CO-CdH Hf BOZZELLI S,Cp =3D CO/C/H-del(cd syst) !!!WARNING! Cp1500 value taken as Cp1000" -60 Cds-Od(Cds-Cdd)H Cds-Od(Cds-Cdd-Cd)H -61 Cds-Od(Cds-Cdd-Od)H Cds-Od(Cds-Cds)H -62 Cds-Od(Cds-Cdd-Cd)H Cds-Od(Cds-Cds)H -63 Cds-OdCtH Cds-Od(Cds-Cds)H -64 Cds-OdCbH Cds-Od(Cds-Cds)H -65 Cds-OdCOs Cds-OdCsOs -66 Cds-OdCsOs -35.1 10.04 6.1 6.7 7.4 8.02 8.87 9.36 9.36 CO-OCs Hf BENSON S STULL !!!WARNING! Cp1500 value taken as Cp1000 -67 Cds-OdCdsOs Cds-Od(Cds-Cds)Os -68 Cds-Od(Cds-Od)Os -29.3 14.6 5.46 6.32 7.17 7.88 9 9.77 9.77 "CO-OCO Hf,S BOZZELLI Cp BENSON !!!WARNING! Cp1500 value taken as Cp1000" -69 Cds-Od(Cds-Cd)Os Cds-Od(Cds-Cds)Os -70 Cds-Od(Cds-Cds)Os -32.1 14.78 5.97 6.7 7.4 8.02 8.87 9.36 9.36 CO-OCd RPS + S Coreected !!!WARNING! Cp1500 value taken as Cp1000 -71 Cds-Od(Cds-Cdd)Os Cds-Od(Cds-Cdd-Cd)Os -72 Cds-Od(Cds-Cdd-Od)Os Cds-Od(Cds-Cds)Os -73 Cds-Od(Cds-Cdd-Cd)Os Cds-Od(Cds-Cds)Os -74 Cds-OdCtOs Cds-Od(Cds-Cds)Os -75 Cds-OdCbOs -36.6 14.78 5.97 6.7 7.4 8.02 8.87 9.36 9.36 CO-OCb RPS + S Coreected !!!WARNING! Cp1500 value taken as Cp1000 -76 Cds-OdCC Cds-OdCsCs -77 Cds-OdCsCs -31.4 15.01 5.59 6.32 7.09 7.76 8.89 9.61 9.61 CO-CsCs BENSON !!!WARNING! Cp1500 value taken as Cp1000 -78 Cds-OdCdsCs Cds-Od(Cds-Cds)Cs -79 Cds-Od(Cds-Od)Cs -29.1 14.6 5.46 6.32 7.17 7.88 9 9.77 9.77 "CO-COCs Hf,S BOZZELLI Cp BENSON !!!WARNING! Cp1500 value taken as Cp1000" -80 Cds-Od(Cds-Cd)Cs Cds-Od(Cds-Cds)Cs -81 Cds-Od(Cds-Cds)Cs -30.9 14.6 5.46 6.32 7.17 7.88 9 9.77 9.77 "CO-CdCs Hf BENSON =3D CO/Cb/C S,Cp !!!WARNING! Cp1500 value taken as Cp1000" -82 Cds-Od(Cds-Cdd)Cs Cds-Od(Cds-Cdd-Cd)Cs -83 Cds-Od(Cds-Cdd-Od)Cs Cds-Od(Cds-Cds)Cs -84 Cds-Od(Cds-Cdd-Cd)Cs Cds-Od(Cds-Cds)Cs -85 Cds-OdCdsCds Cds-Od(Cds-Cds)(Cds-Cds) -86 Cds-Od(Cds-Od)(Cds-Od) Cds-OdCsCs -87 Cds-Od(Cds-Cd)(Cds-Od) Cds-Od(Cds-Cds)(Cds-Od) -88 Cds-Od(Cds-Cds)(Cds-Od) Cds-Od(Cds-Od)Cs -89 Cds-Od(Cds-Cdd)(Cds-Od) Cds-Od(Cds-Cdd-Cd)(Cds-Od) -90 Cds-Od(Cds-Cdd-Od)(Cds-Od) Cds-Od(Cds-Cdd-Od)Cs -91 Cds-Od(Cds-Cdd-Cd)(Cds-Od) Cds-Od(Cds-Cds)(Cds-Od) -92 Cds-Od(Cds-Cd)(Cds-Cd) Cds-Od(Cds-Cds)(Cds-Cds) -93 Cds-Od(Cds-Cds)(Cds-Cds) -30.9 14.6 5.46 6.32 7.17 7.88 9 9.77 9.77 CO-CdCd Estimate BOZZELLI !!!WARNING! Cp1500 value taken as Cp1000 -94 Cds-Od(Cds-Cdd)(Cds-Cds) Cds-Od(Cds-Cdd-Cd)(Cds-Cds) -95 Cds-Od(Cds-Cdd-Od)(Cds-Cds) Cds-Od(Cds-Cdd-Od)Cs -96 Cds-Od(Cds-Cdd-Cd)(Cds-Cds) Cds-Od(Cds-Cds)(Cds-Cds) -97 Cds-Od(Cds-Cdd)(Cds-Cdd) Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Cd) -98 Cds-Od(Cds-Cdd-Od)(Cds-Cdd-Od) Cds-Od(Cds-Cds)(Cds-Cds) -99 Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Od) Cds-Od(Cds-Cdd-Od)(Cds-Cds) -100 Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cds-Od(Cds-Cds)(Cds-Cds) -101 Cds-OdCtCs Cds-Od(Cds-Cds)Cs -102 Cds-OdCtCds Cds-OdCt(Cds-Cds) -103 Cds-OdCt(Cds-Od) Cds-Od(Cds-Cds)(Cds-Od) -104 Cds-OdCt(Cds-Cd) Cds-OdCt(Cds-Cds) -105 Cds-OdCt(Cds-Cds) Cds-Od(Cds-Cds)(Cds-Cds) -106 Cds-OdCt(Cds-Cdd) Cds-OdCt(Cds-Cdd-Cd) -107 Cds-OdCt(Cds-Cdd-Od) Cds-Od(Cds-Cdd-Od)(Cds-Cds) -108 Cds-OdCt(Cds-Cdd-Cd) Cds-OdCt(Cds-Cds) -109 Cds-OdCtCt Cds-Od(Cds-Cds)(Cds-Cds) -110 Cds-OdCbCs Cds-Od(Cds-Cds)Cs -111 Cds-OdCbCds Cds-OdCb(Cds-Cds) -112 Cds-OdCb(Cds-Od) Cds-Od(Cds-Cds)(Cds-Od) -113 Cds-OdCb(Cds-Cd) Cds-OdCb(Cds-Cds) -114 Cds-OdCb(Cds-Cds) Cds-Od(Cds-Cds)(Cds-Cds) -115 Cds-OdCb(Cds-Cdd) Cds-OdCb(Cds-Cdd-Cd) -116 Cds-OdCb(Cds-Cdd-Od) Cds-Od(Cds-Cdd-Od)(Cds-Cds) -117 Cds-OdCb(Cds-Cdd-Cd) Cds-OdCb(Cds-Cds) -118 Cds-OdCbCt Cds-OdCt(Cds-Cds) -119 Cds-OdCbCb Cds-Od(Cds-Cds)(Cds-Cds) -120 Cds-CdHH Cds-CdsHH -121 Cds-CdsHH 6.26 27.61 5.1 6.36 7.51 8.5 10.07 11.27 13.19 Cd-HH BENSON -122 Cds-CddHH Cds-(Cdd-Cd)HH -123 Cds-(Cdd-Od)HH -11.34 57.47 12.08 13.91 15.40 16.64 18.61 20.10 22.47 {CCO/H2} RAMAN & GREEN JPCA. 2002 -124 Cds-(Cdd-Cd)HH Cds-CdsHH // Cd-CaHH -125 Cds-CdOsH Cds-CdsOsH -126 Cds-CdsOsH 2.03 6.2 4.75 6.46 7.64 8.35 9.1 9.56 10.46 "Cd-OH BOZZELLI Hf vin-oh RADOM + C/Cd/H, S&Cp LAY" -127 Cds-CddOsH Cds-(Cdd-Cd)OsH -128 Cds-(Cdd-Od)OsH 2.110 38.17 11.29 13.67 15.10 16.10 17.36 18.25 19.75 {CCO/O/H} RAMAN & GREEN JPCA. 2002 -129 Cds-(Cdd-Cd)OsH Cds-CdsOsH -130 Cds-CdOsOs Cds-CdsOsOs -131 Cds-CdsOsOs Cds-CdsCsCs -132 Cds-CddOsOs Cds-(Cdd-Cd)OsOs -133 Cds-(Cdd-Od)OsOs 2.403 13.42 11.56 15.58 17.69 18.67 18.78 18.40 18.01 {CCO/O2} RAMAN & GREEN JPCA. 2002 -134 Cds-(Cdd-Cd)OsOs Cds-CdsOsOs -135 Cds-CdCH Cds-CdsCsH -136 Cds-CdsCsH 8.59 7.97 4.16 5.03 5.81 6.5 7.65 8.45 9.62 Cd-CsH BENSON -137 Cds-CdsCdsH Cds-Cds(Cds-Cds)H -138 Cds-Cds(Cds-Od)H 6.32 6.38 4.46 5.79 6.75 7.42 8.35 9.11 10.09 "Cd-COH BOZZELLI lit rev Jul91 S,Cp Cd/Cd/H" -139 Cds-Cds(Cds-Cd)H Cds-Cds(Cds-Cds)H -140 Cds-Cds(Cds-Cds)H 6.78 6.38 4.46 5.79 6.75 7.42 8.35 8.99 9.98 Cd-CdH BENSON -141 Cds-Cds(Cds-Cdd)H Cds-Cds(Cds-Cdd-Cd)H -142 Cds-Cds(Cds-Cdd-Od)H Cds-Cds(Cds-Cds)H -143 Cds-Cds(Cds-Cdd-Cd)H Cds-Cds(Cds-Cds)H -144 Cds-CdsCtH 6.78 6.38 4.46 5.79 6.75 7.42 8.35 8.99 9.98 Cd-CtH BENSON -145 Cds-CdsCbH 6.78 6.38 4.46 5.79 6.75 7.42 8.35 8.99 9.98 Cd-CbH BENSON -146 Cds-CddCsH Cds-(Cdd-Cd)CsH -147 Cds-(Cdd-Od)CsH -4.947 40.04 10.31 11.72 12.94 13.98 15.71 16.95 18.78 {CCO/H/C} RAMAN & GREEN JPCA. 2002 -148 Cds-(Cdd-Cd)CsH Cds-CdsCsH -149 Cds-CddCdsH Cds-(Cdd-Cd)(Cds-Cds)H -150 Cds-(Cdd-Od)(Cds-Od)H Cds-(Cdd-Od)CsH -151 Cds-(Cdd-Od)(Cds-Cd)H Cds-(Cdd-Od)(Cds-Cds)H -152 Cds-(Cdd-Od)(Cds-Cds)H Cds-(Cdd-Od)CsH -153 Cds-(Cdd-Od)(Cds-Cdd)H Cds-(Cdd-Od)(Cds-Cdd-Cd)H -154 Cds-(Cdd-Od)(Cds-Cdd-Od)H -4.998 39.06 10.55 12.41 13.82 14.91 16.51 17.62 19.24 {CCO/H/CCO} RAMAN & GREEN JPCA. 2002 -155 Cds-(Cdd-Od)(Cds-Cdd-Cd)H Cds-(Cdd-Od)(Cds-Cds)H -156 Cds-(Cdd-Cd)(Cds-Od)H Cds-Cds(Cds-Od)H -157 Cds-(Cdd-Cd)(Cds-Cd)H Cds-(Cdd-Cd)(Cds-Cds)H -158 Cds-(Cdd-Cd)(Cds-Cds)H Cds-Cds(Cds-Cds)H -159 Cds-(Cdd-Cd)(Cds-Cdd)H Cds-(Cdd-Cd)(Cds-Cdd-Cd)H -160 Cds-(Cdd-Cd)(Cds-Cdd-Od)H Cds-Cds(Cds-Cdd-Od)H -161 Cds-(Cdd-Cd)(Cds-Cdd-Cd)H Cds-(Cdd-Cd)(Cds-Cds)H -162 Cds-CddCtH Cds-(Cdd-Cd)CtH -163 Cds-(Cdd-Od)CtH Cds-(Cdd-Od)(Cds-Cds)H -164 Cds-(Cdd-Cd)CtH Cds-CdsCtH -165 Cds-CddCbH Cds-(Cdd-Cd)CbH -166 Cds-(Cdd-Od)CbH Cds-(Cdd-Od)(Cds-Cds)H -167 Cds-(Cdd-Cd)CbH Cds-CdsCbH -168 Cds-CdCO Cds-CdsCsOs -169 Cds-CdsCsOs 3.03 -12.32 3.59 4.56 5.04 5.3 5.84 6.07 6.16 Cd-OCs BOZZELLI-RADOM vin-oh and del (ccoh-ccohc) -170 Cds-CdsCdsOs Cds-Cds(Cds-Cds)Os -171 Cds-Cds(Cds-Od)Os 5.13 -14.6 4.4 5.37 5.93 6.18 6.5 6.62 6.72 Cd-OCO adj BENSON for RADOM c*coh -172 Cds-Cds(Cds-Cd)Os Cds-Cds(Cds-Cds)Os -173 Cds-Cds(Cds-Cds)Os 1.5 -14.4 4.4 5.37 5.93 6.18 6.5 6.62 6.72 Cd-OCd jwb need calc -174 Cds-Cds(Cds-Cdd)Os Cds-Cds(Cds-Cdd-Cd)Os -175 Cds-Cds(Cds-Cdd-Od)Os Cds-Cds(Cds-Cds)Os -176 Cds-Cds(Cds-Cdd-Cd)Os Cds-Cds(Cds-Cds)Os -177 Cds-CdsCtOs Cds-Cds(Cds-Cds)Os -178 Cds-CdsCbOs 1.5 -14.4 4.4 5.37 5.93 6.18 6.5 6.62 6.72 Cd-OCb jwb need calc -179 Cds-CddCsOs Cds-(Cdd-Cd)CsOs -180 Cds-(Cdd-Od)CsOs 3.273 18.58 10.91 12.65 13.59 14.22 15.00 15.48 16.28 {CCO/O/C} RAMAN & GREEN JPCA. 2002 -181 Cds-(Cdd-Cd)CsOs Cds-CdsCsOs -182 Cds-CddCdsOs Cds-(Cdd-Cd)(Cds-Cds)Os -183 Cds-(Cdd-Od)(Cds-Od)Os Cds-(Cdd-Od)CsOs -184 Cds-(Cdd-Od)(Cds-Cd)Os Cds-(Cdd-Od)(Cds-Cds)Os -185 Cds-(Cdd-Od)(Cds-Cds)Os Cds-(Cdd-Od)CsOs -186 Cds-(Cdd-Od)(Cds-Cdd)Os Cds-(Cdd-Od)(Cds-Cdd-Cd)Os -187 Cds-(Cdd-Od)(Cds-Cdd-Od)Os 1.607 17.73 11.01 12.97 14.17 14.97 15.80 16.26 16.88 {CCO/O/CCO} RAMAN & GREEN JPCA. 2002 -188 Cds-(Cdd-Od)(Cds-Cdd-Cd)Os Cds-(Cdd-Od)(Cds-Cds)Os -189 Cds-(Cdd-Cd)(Cds-Cd)Os Cds-(Cdd-Cd)(Cds-Cds)Os -190 Cds-(Cdd-Cd)(Cds-Cds)Os Cds-Cds(Cds-Cds)Os -191 Cds-(Cdd-Cd)(Cds-Cdd)Os Cds-(Cdd-Cd)(Cds-Cdd-Cd)Os -192 Cds-(Cdd-Cd)(Cds-Cdd-Od)Os Cds-Cds(Cds-Cdd-Od)Os -193 Cds-(Cdd-Cd)(Cds-Cdd-Cd)Os Cds-(Cdd-Cd)(Cds-Cds)Os -194 Cds-CddCtOs Cds-(Cdd-Cd)CtOs -195 Cds-(Cdd-Od)CtOs Cds-(Cdd-Od)(Cds-Cds)Os -196 Cds-(Cdd-Cd)CtOs Cds-CdsCtOs -197 Cds-CddCbOs Cds-(Cdd-Cd)CbOs -198 Cds-(Cdd-Od)CbOs Cds-(Cdd-Od)(Cds-Cds)Os -199 Cds-(Cdd-Cd)CbOs Cds-CdsCbOs -200 Cds-CdCC Cds-CdsCsCs -201 Cds-CdsCsCs 10.34 -12.7 4.1 4.61 4.99 5.26 5.8 6.08 6.36 Cd-CsCs BENSON -202 Cds-CdsCdsCs Cds-Cds(Cds-Cds)Cs -203 Cds-Cds(Cds-Od)Cs 7.50 -14.6 4.4 5.37 5.93 6.18 6.5 6.62 6.72 "Cd-COCs BENSON Hf, Cd/C/Cd =3D S,Cp" -204 Cds-Cds(Cds-Cd)Cs Cds-Cds(Cds-Cds)Cs -205 Cds-Cds(Cds-Cds)Cs 8.88 -14.6 4.4 5.37 5.93 6.18 6.5 6.62 6.72 Cd-CdCs BENSON -206 Cds-Cds(Cds-Cdd)Cs Cds-Cds(Cds-Cdd-Cd)Cs -207 Cds-Cds(Cds-Cdd-Od)Cs Cds-Cds(Cds-Cds)Cs -208 Cds-Cds(Cds-Cdd-Cd)Cs Cds-Cds(Cds-Cds)Cs -209 Cds-CdsCdsCds Cds-Cds(Cds-Cds)(Cds-Cds) -210 Cds-Cds(Cds-Od)(Cds-Od) Cds-CdsCsCs -211 Cds-Cds(Cds-Od)(Cds-Cd) Cds-Cds(Cds-Od)(Cds-Cds) -212 Cds-Cds(Cds-Od)(Cds-Cds) 4.60 -16.5 4.7 6.13 6.87 7.1 7.2 7.16 7.06 Cd-COCd from CD/CD2/ jwb est 6/97 -213 Cds-Cds(Cds-Od)(Cds-Cdd) Cds-Cds(Cds-Od)(Cds-Cdd-Cd) -214 Cds-Cds(Cds-Od)(Cds-Cdd-Od) Cds-Cds(Cds-Cdd-Od)Cs -215 Cds-Cds(Cds-Od)(Cds-Cdd-Cd) Cds-Cds(Cds-Od)(Cds-Cds) -216 Cds-Cds(Cds-Cd)(Cds-Cd) Cds-Cds(Cds-Cds)(Cds-Cds) -217 Cds-Cds(Cds-Cds)(Cds-Cds) 4.60 -15.67 1.9 2.69 3.5 4.28 5.57 6.21 7.37 "Cd-CdCd Hf=3D est S,Cp mopac nov99" -218 Cds-Cds(Cds-Cds)(Cds-Cdd) Cds-Cds(Cds-Cds)(Cds-Cdd-Cd) -219 Cds-Cds(Cds-Cds)(Cds-Cdd-Od) Cds-Cds(Cds-Cdd-Od)Cs -220 Cds-Cds(Cds-Cds)(Cds-Cdd-Cd) Cds-Cds(Cds-Cds)(Cds-Cds) -221 Cds-Cds(Cds-Cdd)(Cds-Cdd) Cds-Cds(Cds-Cdd-Cd)(Cds-Cdd-Cd) -222 Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Od) Cds-Cds(Cds-Cds)(Cds-Cds) -223 Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Cd) Cds-Cds(Cds-Cds)(Cds-Cdd-Od) -224 Cds-Cds(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cds-Cds(Cds-Cds)(Cds-Cdd-Cd) -225 Cds-CdsCtCs 8.11 -13.02 3.5 3.88 4.88 4.18 4.86 5.4 6.01 Cd-CtCs RAMAN and GREEN submitted 2002 -226 Cds-CdsCtCds Cds-Cds(Cds-Cds)Ct -227 Cds-CdsCt(Cds-Od) Cds-Cds(Cds-Od)(Cds-Cds) -228 Cds-CdsCt(Cds-Cd) Cds-Cds(Cds-Cds)Ct -229 Cds-Cds(Cds-Cds)Ct 7.54 -14.38 3.94 5.01 6.26 5.57 5.95 6.22 6.48 Cd-CtCd RAMAN and GREEN submitted 2002 -230 Cds-Cds(Cds-Cdd)Ct Cds-Cds(Cds-Cdd-Cd)Ct -231 Cds-Cds(Cds-Cdd-Od)Ct Cds-Cds(Cds-Cds)(Cds-Cdd-Od) -232 Cds-Cds(Cds-Cdd-Cd)Ct Cds-Cds(Cds-Cds)Ct -233 Cds-CdsCtCt 8.81 -13.42 3.36 3.7 5.37 3.71 4.49 5.21 5.98 Cd-CtCt RAMAN and GREEN submitted 2002 -234 Cds-CdsCbCs 8.64 -14.6 4.4 5.37 5.93 6.18 6.5 6.62 6.72 Cd-CbCs BENSON -235 Cds-CdsCbCds Cds-Cds(Cds-Cds)Cb -236 Cds-CdsCb(Cds-Od) Cds-Cds(Cds-Od)(Cds-Cds) -237 Cds-Cds(Cds-Cd)Cb Cds-Cds(Cds-Cds)Cb -238 Cds-Cds(Cds-Cds)Cb 7.18 -16.5 4.7 6.13 6.87 7.1 7.2 7.16 7.06 Cd-CbCd BOZZELLI =3D Cd/Cs/Cb + (Cd/Cs/Cd - Cd/Cs/Cs) -239 Cds-Cds(Cds-Cdd)Cb Cds-Cds(Cds-Cdd-Cd)Cb -240 Cds-Cds(Cds-Cdd-Od)Cb Cds-Cds(Cds-Cds)(Cds-Cdd-Od) -241 Cds-Cds(Cds-Cdd-Cd)Cb Cds-Cds(Cds-Cds)Cb -242 Cds-CdsCbCt 6.70 -17.04 2.22 3.14 4.54 4.11 5.06 5.79 6.71 "Cd-CbCt Hf=3D est S,Cp mopac nov99" -243 Cds-CdsCbCb 8.00 -16.5 4.7 6.13 6.87 7.1 7.2 7.16 7.06 Cd-CbCb BOZZELLI =3D Cd/Cs/Cb + (Cd/Cs/Cb - Cd/Cs/Cs) -244 Cds-CddCsCs Cds-(Cdd-Cd)CsCs -245 Cds-(Cdd-Od)CsCs -1.644 20.02 9.82 10.74 11.53 13.22 13.46 14.28 15.35 {CCO/C2} RAMAN & GREEN JPCA. 2002 -246 Cds-(Cdd-Cd)CsCs Cds-CdsCsCs -247 Cds-CddCdsCs Cds-(Cdd-Cd)(Cds-Cds)Cs -248 Cds-(Cdd-Od)(Cds-Od)Cs Cds-(Cdd-Od)CsCs -249 Cds-(Cdd-Od)(Cds-Cd)Cs Cds-(Cdd-Od)(Cds-Cds)Cs -250 Cds-(Cdd-Od)(Cds-Cds)Cs Cds-(Cdd-Od)CsCs -251 Cds-(Cdd-Od)(Cds-Cdd)Cs Cds-(Cdd-Od)(Cds-Cdd-Cd)Cs -252 Cds-(Cdd-Od)(Cds-Cdd-Od)Cs -2.070 19.65 10.10 11.24 12.12 12.84 14.00 14.75 15.72 {CCO/C/CCO} RAMAN & GREEN JPCA. 2002 -253 Cds-(Cdd-Od)(Cds-Cdd-Cd)Cs Cds-(Cdd-Od)(Cds-Cds)Cs -254 Cds-(Cdd-Cd)(Cds-Cd)Cs Cds-(Cdd-Cd)(Cds-Cds)Cs -255 Cds-(Cdd-Cd)(Cds-Cds)Cs Cds-Cds(Cds-Cds)Cs -256 Cds-(Cdd-Cd)(Cds-Cdd)Cs Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cs -257 Cds-(Cdd-Cd)(Cds-Cdd-Od)Cs Cds-Cds(Cds-Cdd-Od)Cs -258 Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cs Cds-(Cdd-Cd)(Cds-Cds)Cs -259 Cds-CddCdsCds Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) -260 Cds-(Cdd-Od)(Cds-Od)(Cds-Od) Cds-(Cdd-Od)CsCs -261 Cds-(Cdd-Od)(Cds-Cd)(Cds-Od) Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) -262 Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) Cds-(Cdd-Od)(Cds-Od)Cs -263 Cds-(Cdd-Od)(Cds-Cdd)(Cds-Od) Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Od) -264 Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Od) Cds-(Cdd-Od)(Cds-Cdd-Od)Cs -265 Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Od) Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) -266 Cds-(Cdd-Od)(Cds-Cd)(Cds-Cd) Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -267 Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) Cds-(Cdd-Od)CsCs -268 Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cds) Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cds) -269 Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) Cds-(Cdd-Od)(Cds-Cdd-Od)Cs -270 Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cds) Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -271 Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cdd) Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -272 Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -273 Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) -274 Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -275 Cds-(Cdd-Cd)(Cds-Od)(Cds-Od) Cds-Cds(Cds-Od)(Cds-Od) -276 Cds-(Cdd-Cd)(Cds-Od)(Cds-Cd) Cds-(Cdd-Cd)(Cds-Od)(Cds-Cds) -277 Cds-(Cdd-Cd)(Cds-Od)(Cds-Cds) Cds-Cds(Cds-Od)(Cds-Cds) -278 Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd) Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Cd) -279 Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Od) Cds-Cds(Cds-Od)(Cds-Cdd-Od) -280 Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Cd) Cds-(Cdd-Cd)(Cds-Od)(Cds-Cds) -281 Cds-(Cdd-Cd)(Cds-Cd)(Cds-Cd) Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) -282 Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) Cds-Cds(Cds-Cds)(Cds-Cds) -283 Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cds) Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cds) -284 Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cds) Cds-Cds(Cds-Cds)(Cds-Cdd-Od) -285 Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cds) Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) -286 Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cdd) Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -287 Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Od) Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Od) -288 Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cds) -289 Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) -290 Cds-CddCtCs Cds-(Cdd-Cd)CtCs -291 Cds-(Cdd-Od)CtCs Cds-(Cdd-Od)(Cds-Cds)Cs -292 Cds-(Cdd-Cd)CtCs Cds-CdsCtCs -293 Cds-CddCtCds Cds-(Cdd-Cd)(Cds-Cds)Ct -294 Cds-(Cdd-Od)(Cds-Od)Ct Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) -295 Cds-(Cdd-Od)(Cds-Cd)Ct Cds-(Cdd-Od)(Cds-Cds)Ct -296 Cds-(Cdd-Od)(Cds-Cds)Ct Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -297 Cds-(Cdd-Od)(Cds-Cdd)Ct Cds-(Cdd-Od)(Cds-Cdd-Cd)Ct -298 Cds-(Cdd-Od)(Cds-Cdd-Od)Ct Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) -299 Cds-(Cdd-Od)(Cds-Cdd-Cd)Ct Cds-(Cdd-Od)(Cds-Cds)Ct -300 Cds-(Cdd-Cd)(Cds-Cd)Ct Cds-(Cdd-Cd)(Cds-Cds)Ct -301 Cds-(Cdd-Cd)(Cds-Cds)Ct Cds-Cds(Cds-Cds)Ct -302 Cds-(Cdd-Cd)(Cds-Cdd)Ct Cds-(Cdd-Cd)(Cds-Cdd-Cd)Ct -303 Cds-(Cdd-Cd)(Cds-Cdd-Od)Ct Cds-Cds(Cds-Cdd-Od)Ct -304 Cds-(Cdd-Cd)(Cds-Cdd-Cd)Ct Cds-(Cdd-Cd)(Cds-Cds)Ct -305 Cds-CddCtCt Cds-(Cdd-Cd)CtCt -306 Cds-(Cdd-Od)CtCt Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -307 Cds-(Cdd-Cd)CtCt Cds-CdsCtCt -308 Cds-CddCbCs Cds-(Cdd-Cd)CbCs -309 Cds-(Cdd-Od)CbCs Cds-(Cdd-Od)(Cds-Cds)Cs -310 Cds-(Cdd-Cd)CbCs Cds-CdsCbCs -311 Cds-CddCbCds Cds-(Cdd-Cd)(Cds-Cds)Cb -312 Cds-(Cdd-Od)(Cds-Od)Cb Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) -313 Cds-(Cdd-Od)(Cds-Cd)Cb Cds-(Cdd-Od)(Cds-Cds)Cb -314 Cds-(Cdd-Od)(Cds-Cds)Cb Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -315 Cds-(Cdd-Od)(Cds-Cdd)Cb Cds-(Cdd-Od)(Cds-Cdd-Cd)Cb -316 Cds-(Cdd-Od)(Cds-Cdd-Od)Cb Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) -317 Cds-(Cdd-Od)(Cds-Cdd-Cd)Cb Cds-(Cdd-Od)(Cds-Cds)Cb -318 Cds-(Cdd-Cd)(Cds-Cd)Cb Cds-(Cdd-Cd)(Cds-Cds)Cb -319 Cds-(Cdd-Cd)(Cds-Cds)Cb Cds-Cds(Cds-Cds)Cb -320 Cds-(Cdd-Cd)(Cds-Cdd)Cb Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cb -321 Cds-(Cdd-Cd)(Cds-Cdd-Od)Cb Cds-Cds(Cds-Cdd-Od)Cb -322 Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cb Cds-(Cdd-Cd)(Cds-Cds)Cb -323 Cds-CddCbCt Cds-(Cdd-Cd)CbCt -324 Cds-(Cdd-Od)CbCt Cds-(Cdd-Od)(Cds-Cds)Ct -325 Cds-(Cdd-Cd)CbCt Cds-CdsCbCt -326 Cds-CddCbCb Cds-(Cdd-Cd)CbCb -327 Cds-(Cdd-Od)CbCb Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -328 Cds-(Cdd-Cd)CbCb Cds-CdsCbCb -329 Cs Cs-CsCsCsCs -330 Cs-HHHH -17.90 49.41 8.43 9.84 11.14 12.41 15.00 17.25 20.63 CHEMKIN DATABASE S(group) = S(CH4) + Rln(12) -331 Cs-CHHH Cs-CsHHH -332 Cs-CsHHH -10.20 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 Cs-CsHHH BENSON -333 Cs-CdsHHH Cs-(Cds-Cds)HHH -334 Cs-(Cds-Od)HHH -10.08 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 Cs-COHHH BENSON: Cp1500 =3D Cp1000*(Cp1500/Cp1000: C/Cd/H3) -335 Cs-(Cds-Cd)HHH Cs-(Cds-Cds)HHH -336 Cs-(Cds-Cds)HHH -10.20 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 Cs-CdHHH BENSON (Assigned Cs-CsHHH) -337 Cs-(Cds-Cdd)HHH Cs-(Cds-Cdd-Cd)HHH -338 Cs-(Cds-Cdd-Od)HHH -10.08 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 "{CCO/C/H3} RAMAN & GREEN JPCA. 2002, assigened same value as Cs-CsHHH" -339 Cs-(Cds-Cdd-Cd)HHH Cs-(Cds-Cds)HHH -340 Cs-CtHHH -10.20 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 Cs-CtHHH BENSON (Assigned Cs-CsHHH) -341 Cs-CbHHH -10.20 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 Cs-CbHHH BENSON (Assigned Cs-CsHHH) -342 Cs-OsHHH -10.10 30.41 6.19 7.84 9.4 10.79 13.03 14.77 17.58 Cs-OHHH BENSON -343 Cs-OsOsHH -15.23 9.42 5.5 6.95 8.25 9.35 11.07 12.34 12.34 "Cs-OOHH PEDLEY Hf, BOZZELLI C/C2/H2 !!!WARNING! Cp1500 value taken as Cp1000" -344 Cs-OsOsOsH -21.23 -12.07 4.54 6 7.17 8.05 9.31 10.05 10.05 "Cs-OOOH BOZZELLI del C/C2/O - C/C3/O, series !!!WARNING! Cp1500 value taken as Cp1000" -345 Cs-CCHH Cs-CsCsHH -346 Cs-CsCsHH -4.93 9.42 5.5 6.95 8.25 9.35 11.07 12.34 14.25 Cs-CsCsHH BENSON -347 Cs-CdsCsHH Cs-(Cds-Cds)CsHH -348 Cs-(Cds-Od)CsHH -5.2 9.6 6.2 7.7 8.7 9.5 11.1 12.2 14.07 Cs-COCsHH BENSON Cp1500 =3D Cp1000*(Cp1500/Cp1000: C/C/Cd/H2) -349 Cs-(Cds-Cd)CsHH Cs-(Cds-Cds)CsHH -350 Cs-(Cds-Cds)CsHH -4.76 9.8 5.12 6.86 8.32 9.49 11.22 12.48 14.36 Cs-CdCsHH BENSON -351 Cs-(Cds-Cdd)CsHH Cs-(Cds-Cdd-Cd)CsHH -352 Cs-(Cds-Cdd-Od)CsHH -5.723 9.37 4.96 6.35 7.61 8.54 9.65 10.35 11.19 {C/C/H2/CCO} RAMAN & GREEN JPCA. 2002 -353 Cs-(Cds-Cdd-Cd)CsHH Cs-(Cds-Cds)CsHH -354 Cs-CdsCdsHH Cs-(Cds-Cds)(Cds-Cds)HH -355 Cs-(Cds-Od)(Cds-Od)HH -7.6 5.82 5.03 7.44 9.16 10.49 12.17 13.57 13.57 "Cs-COCOHH BENSON Hf, Mopac =3D S,Cp nov99 !!!WARNING! Cp1500 value taken as Cp1000" -356 Cs-(Cds-Od)(Cds-Cd)HH Cs-(Cds-Od)(Cds-Cds)HH -357 Cs-(Cds-Od)(Cds-Cds)HH -3.8 6.31 4.75 7.11 8.92 10.32 12.16 13.61 13.61 "Cs-COCdHH BENSON Hf, Mopac =3D S,Cp nov99 !!!WARNING! Cp1500 value taken as Cp1000" -358 Cs-(Cds-Od)(Cds-Cdd)HH Cs-(Cds-Od)(Cds-Cdd-Cd)HH -359 Cs-(Cds-Od)(Cds-Cdd-Od)HH Cs-(Cds-Cdd-Od)CsHH -360 Cs-(Cds-Od)(Cds-Cdd-Cd)HH Cs-(Cds-Od)(Cds-Cds)HH -361 Cs-(Cds-Cd)(Cds-Cd)HH Cs-(Cds-Cds)(Cds-Cds)HH -362 Cs-(Cds-Cds)(Cds-Cds)HH -4.29 10.2 4.7 6.8 8.4 9.6 11.3 12.6 14.4 Cs-CdCdHH BENSON -363 Cs-(Cds-Cdd)(Cds-Cds)HH Cs-(Cds-Cdd-Cd)(Cds-Cds)HH -364 Cs-(Cds-Cdd-Od)(Cds-Cds)HH Cs-(Cds-Cdd-Od)CsHH -365 Cs-(Cds-Cdd-Cd)(Cds-Cds)HH Cs-(Cds-Cds)(Cds-Cds)HH -366 Cs-(Cds-Cdd)(Cds-Cdd)HH Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)HH -367 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)HH -5.301 7.18 6.68 8.28 9.58 10.61 12.04 13.13 14.87 {C/H2/CCO2} RAMAN & GREEN JPCA. 2002 -368 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)HH Cs-(Cds-Cdd-Od)(Cds-Cds)HH -369 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)HH Cs-(Cds-Cds)(Cds-Cds)HH -370 Cs-CtCsHH -4.73 10.3 4.95 6.56 7.93 9.08 10.86 12.19 14.2 Cs-CtCsHH BENSON -371 Cs-CtCdsHH Cs-(Cds-Cds)CtHH -372 Cs-(Cds-Od)CtHH -5.4 7.68 3.85 6.22 8.01 9.43 11.29 12.76 12.76 "Cs-COCtHH BENSON Hf, Mopac =3D S,Cp nov99 !!!WARNING! Cp1500 value taken as Cp1000" -373 Cs-(Cds-Cd)CtHH Cs-(Cds-Cds)CtHH -374 Cs-(Cds-Cds)CtHH -3.49 9.31 4.4 6.33 7.9 9.16 10.93 12.29 13.43 Cs-CtCdHH RAMAN and GREEN submitted 2002 -375 Cs-(Cds-Cdd)CtHH Cs-(Cds-Cdd-Cd)CtHH -376 Cs-(Cds-Cdd-Od)CtHH Cs-(Cds-Cdd-Od)(Cds-Cds)HH -377 Cs-(Cds-Cdd-Cd)CtHH Cs-(Cds-Cds)CtHH -378 Cs-CtCtHH -0.82 10.04 4 6.07 7.71 9.03 10.88 12.3 12.48 Cs-CtCtHH RAMAN and GREEN submitted 2002 -379 Cs-CbCsHH -4.86 9.34 5.84 7.61 8.98 10.01 11.49 12.54 13.76 Cs-CbCsHH BENSON -380 Cs-CbCdsHH Cs-(Cds-Cds)CbHH -381 Cs-(Cds-Od)CbHH -5.4 5.89 5.38 7.59 9.25 10.51 12.19 13.52 13.52 "Cs-COCbHH BENSON Hf, Mopac =3D S,Cp nov99 !!!WARNING! Cp1500 value taken as Cp1000" -382 Cs-(Cds-Cd)CbHH Cs-(Cds-Cds)CbHH -383 Cs-(Cds-Cds)CbHH -4.29 2 4.51 6.76 8.61 10.01 11.97 13.4 15.47 "Cs-CbCdHH Hf=Stein S,Cp=3D mopac nov99" -384 Cs-(Cds-Cdd)CbHH Cs-(Cds-Cdd-Cd)CbHH -385 Cs-(Cds-Cdd-Od)CbHH Cs-(Cds-Cdd-Od)(Cds-Cds)HH -386 Cs-(Cds-Cdd-Cd)CbHH Cs-(Cds-Cds)CbHH -387 Cs-CbCtHH -4.29 9.84 4.28 6.43 8.16 9.5 11.36 12.74 13.7 "Cs-CbCtHH Hf=Stein S,Cp=3D mopac nov99" -388 Cs-CbCbHH -4.29 8.07 5.67 7.7 9.31 10.52 12.21 13.47 15.11 "Cs-CbCbHH Hf=3Dbsn/Cs/Cd2/H2 S,Cp=3D mopac nov99" -389 Cs-CCCH Cs-CsCsCsH -390 Cs-CsCsCsH -1.9 -12.07 4.54 6 7.17 8.05 9.31 10.05 11.17 Cs-CsCsCsH BENSON -391 Cs-CdsCsCsH Cs-(Cds-Cds)CsCsH -392 Cs-(Cds-Od)CsCsH -1.7 -11.7 4.16 5.91 7.34 8.19 9.46 10.19 10.19 "Cs-COCsCsH BOZZELLI - BENSON Hf, S, -C/C2Cd/H =3D Cp !!!WARNING! Cp1500 value taken as Cp1000" -393 Cs-(Cds-Cd)CsCsH Cs-(Cds-Cds)CsCsH -394 Cs-(Cds-Cds)CsCsH -1.48 -11.69 4.16 5.91 7.34 8.19 9.46 10.19 11.28 Cs-CdCsCsH BENSON -395 Cs-(Cds-Cdd)CsCsH Cs-(Cds-Cdd-Cd)CsCsH -396 Cs-(Cds-Cdd-Od)CsCsH -3.634 -12.31 4.96 6.35 7.61 8.54 9.65 10.35 11.19 {C/C/H2/CCO} RAMAN & GREEN JPCA. 2002 -397 Cs-(Cds-Cdd-Cd)CsCsH -1.48 -11.69 4.16 5.91 7.34 8.19 9.46 10.19 11.28 Cs-CdCsCsH BENSON -398 Cs-CtCsCsH -1.72 -11.19 3.99 5.61 6.85 7.78 9.1 9.9 11.12 Cs-CtCsCsH BENSON -399 Cs-CbCsCsH -0.98 -12.15 4.88 6.66 7.9 8.75 9.73 10.25 10.68 Cs-CbCsCsH BENSON -400 Cs-CdsCdsCsH Cs-(Cds-Cds)(Cds-Cds)CsH -401 Cs-(Cds-Od)(Cds-Od)CsH Cs-CsCsCsH -402 Cs-(Cds-Od)(Cds-Cd)CsH Cs-(Cds-Od)(Cds-Cds)CsH -403 Cs-(Cds-Od)(Cds-Cds)CsH Cs-(Cds-Od)CsCsH -404 Cs-(Cds-Od)(Cds-Cdd)CsH Cs-(Cds-Od)(Cds-Cdd-Cd)CsH -405 Cs-(Cds-Od)(Cds-Cdd-Od)CsH Cs-(Cds-Cdd-Od)CsCsH -406 Cs-(Cds-Od)(Cds-Cdd-Cd)CsH Cs-(Cds-Od)(Cds-Cds)CsH -407 Cs-(Cds-Cd)(Cds-Cd)CsH Cs-(Cds-Cds)(Cds-Cds)CsH -408 Cs-(Cds-Cds)(Cds-Cds)CsH -1.1 -13.03 5.28 6.54 7.67 8.48 9.45 10.18 11.24 Cs-CdCdCsH RAMAN and GREEN submitted 2002 -409 Cs-(Cds-Cdd)(Cds-Cds)CsH Cs-(Cds-Cdd-Cd)(Cds-Cds)CsH -410 Cs-(Cds-Cdd-Od)(Cds-Cds)CsH Cs-(Cds-Cdd-Od)CsCsH -411 Cs-(Cds-Cdd-Cd)(Cds-Cds)CsH Cs-(Cds-Cds)(Cds-Cds)CsH -412 Cs-(Cds-Cdd)(Cds-Cdd)CsH Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsH -413 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsH -3.714 -14.12 6.33 7.96 9.13 9.91 10.7 11.19 11.81 {C/C/H/CCO2} RAMAN & GREEN JPCA. 2002 -414 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsH Cs-(Cds-Cdd-Od)(Cds-Cds)CsH -415 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsH Cs-(Cds-Cds)(Cds-Cds)CsH -416 Cs-CtCdsCsH Cs-(Cds-Cds)CtCsH -417 Cs-(Cds-Od)CtCsH Cs-(Cds-Od)(Cds-Cds)CsH -418 Cs-(Cds-Cd)CtCsH Cs-(Cds-Cds)CtCsH -419 Cs-(Cds-Cds)CtCsH -6.9 -13.48 5.55 7.21 8.39 9.17 10 10.61 10.51 Cs-CtCdCsH RAMAN and GREEN submitted 2002 -420 Cs-(Cds-Cdd)CtCsH Cs-(Cds-Cdd-Cd)CtCsH -421 Cs-(Cds-Cdd-Od)CtCsH Cs-(Cds-Cdd-Od)(Cds-Cds)CsH -422 Cs-(Cds-Cdd-Cd)CtCsH Cs-(Cds-Cds)CtCsH -423 Cs-CbCdsCsH Cs-(Cds-Cds)CbCsH -424 Cs-(Cds-Od)CbCsH Cs-(Cds-Od)(Cds-Cds)CsH -425 Cs-(Cds-Cd)CbCsH Cs-(Cds-Cds)CbCsH -426 Cs-(Cds-Cds)CbCsH -1.56 -11.77 4.5 6.57 8.07 8.89 9.88 10.39 10.79 Cs-CbCdCsH BOZZELLI =3D Cs/Cs2/Cd/H + (Cs/Cs2/Cb/H - Cs/Cs3/H) -427 Cs-(Cds-Cdd)CbCsH Cs-(Cds-Cdd-Cd)CbCsH -428 Cs-(Cds-Cdd-Od)CbCsH Cs-(Cds-Cdd-Od)(Cds-Cds)CsH -429 Cs-(Cds-Cdd-Cd)CbCsH Cs-(Cds-Cds)CbCsH -430 Cs-CtCtCsH 1.72 -11.61 3.27 5.32 6.9 8.03 9.33 10.21 9.38 Cs-CtCtCsH RAMAN and GREEN submitted 2002 -431 Cs-CbCtCsH -1.55 -11.65 4.33 6.27 7.58 8.48 9.52 10.1 10.63 Cs-CbCtCsH BOZZELLI =3D Cs/Cs2/Cb/H + (Cs/Cs2/Ct/H - Cs/Cs3/H) -432 Cs-CbCbCsH -1.06 -12.23 5.22 7.32 8.63 8.45 10.15 10.45 10.89 Cs-CbCbCsCs BOZZELLI =3D Cs/Cs2/Cb/H + (Cs/Cs2/Cb/H - Cs/Cs3/H) -433 Cs-CdsCdsCdsH Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -434 Cs-(Cds-Od)(Cds-Od)(Cds-Od)H Cs-CsCsCsH -435 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)H Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H -436 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H Cs-(Cds-Od)(Cds-Od)CsH -437 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)H Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)H -438 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)H Cs-(Cds-Cdd-Od)CsCsH -439 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)H Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H -440 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)H Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -441 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H Cs-(Cds-Od)CsCsH -442 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)H Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)H -443 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H Cs-(Cds-Od)(Cds-Cdd-Od)CsH -444 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)H Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -445 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)H Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H -446 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsH -447 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H -448 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -449 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -450 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H 0.41 -11.82 4.51 5.96 7.13 7.98 9.06 9.9 11.23 Cs-CdCdCdH RAMAN and GREEN JPC 2002 -451 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)H -452 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H Cs-(Cds-Cdd-Od)CsCsH -453 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -454 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)H Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H -455 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsH -456 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -457 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -458 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)H Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H -459 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -460 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H -461 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -462 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -463 Cs-CtCdsCdsH Cs-(Cds-Cds)(Cds-Cds)CtH -464 Cs-(Cds-Od)(Cds-Od)CtH Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H -465 Cs-(Cds-Od)(Cds-Cd)CtH Cs-(Cds-Od)(Cds-Cds)CtH -466 Cs-(Cds-Od)(Cds-Cds)CtH Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -467 Cs-(Cds-Od)(Cds-Cdd)CtH Cs-(Cds-Od)(Cds-Cdd-Cd)CtH -468 Cs-(Cds-Od)(Cds-Cdd-Od)CtH Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H -469 Cs-(Cds-Od)(Cds-Cdd-Cd)CtH Cs-(Cds-Od)(Cds-Cds)CtH -470 Cs-(Cds-Cd)(Cds-Cd)CtH Cs-(Cds-Cds)(Cds-Cds)CtH -471 Cs-(Cds-Cds)(Cds-Cds)CtH 1.88 -13.75 6.68 7.85 8.62 9.16 9.81 10.42 10.49 Cs-CtCdCdH RAMAN and GREEN submitted 2002 -472 Cs-(Cds-Cdd)(Cds-Cds)CtH Cs-(Cds-Cdd-Cd)(Cds-Cds)CtH -473 Cs-(Cds-Cdd-Od)(Cds-Cds)CtH Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -474 Cs-(Cds-Cdd-Cd)(Cds-Cds)CtH Cs-(Cds-Cds)(Cds-Cds)CtH -475 Cs-(Cds-Cdd)(Cds-Cdd)CtH Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtH -476 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtH Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H -477 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtH Cs-(Cds-Cdd-Od)(Cds-Cds)CtH -478 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtH Cs-(Cds-Cds)(Cds-Cds)CtH -479 Cs-CbCdsCdsH Cs-(Cds-Cds)(Cds-Cds)CbH -480 Cs-(Cds-Od)(Cds-Od)CbH Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H -481 Cs-(Cds-Od)(Cds-Cd)CbH Cs-(Cds-Od)(Cds-Cds)CbH -482 Cs-(Cds-Od)(Cds-Cds)CbH Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -483 Cs-(Cds-Od)(Cds-Cdd)CbH Cs-(Cds-Od)(Cds-Cdd-Cd)CbH -484 Cs-(Cds-Od)(Cds-Cdd-Od)CbH Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H -485 Cs-(Cds-Od)(Cds-Cdd-Cd)CbH Cs-(Cds-Od)(Cds-Cds)CbH -486 Cs-(Cds-Cd)(Cds-Cd)CbH Cs-(Cds-Cds)(Cds-Cds)CbH -487 Cs-(Cds-Cds)(Cds-Cds)CbH -1.39 -11.39 4.12 6.51 8.24 9 10.03 10.53 10.89 Cs-CbCdCdH BOZZELLI =3D Cs/Cs/Cd2/H + (Cs/Cs2/Cb/H - Cs/Cs3/H) -488 Cs-(Cds-Cdd)(Cds-Cds)CbH Cs-(Cds-Cdd-Cd)(Cds-Cds)CbH -489 Cs-(Cds-Cdd-Od)(Cds-Cds)CbH Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -490 Cs-(Cds-Cdd-Cd)(Cds-Cds)CbH Cs-(Cds-Cds)(Cds-Cds)CbH -491 Cs-(Cds-Cdd)(Cds-Cdd)CbH Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbH -492 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbH Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H -493 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbH Cs-(Cds-Cdd-Od)(Cds-Cds)CbH -494 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbH Cs-(Cds-Cds)(Cds-Cds)CbH -495 Cs-CtCtCdsH Cs-CtCt(Cds-Cds)H -496 Cs-CtCt(Cds-Od)H Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -497 Cs-CtCt(Cds-Cd)H Cs-CtCt(Cds-Cds)H -498 Cs-CtCt(Cds-Cds)H 4.73 -11.46 3.58 5.68 7.11 8.12 9.27 10.13 9.44 Cs-CtCtCdH RAMAN and GREEN submitted 2002 -499 Cs-CtCt(Cds-Cdd)H Cs-CtCt(Cds-Cdd-Cd)H -500 Cs-CtCt(Cds-Cdd-Od)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -501 Cs-CtCt(Cds-Cdd-Cd)H Cs-CtCt(Cds-Cds)H -502 Cs-CbCtCdsH Cs-CbCt(Cds-Cds)H -503 Cs-CbCt(Cds-Od)H Cs-(Cds-Od)(Cds-Cds)CtH -504 Cs-CbCt(Cds-Cd)H Cs-CbCt(Cds-Cds)H -505 Cs-CbCt(Cds-Cds)H Cs-(Cds-Cds)(Cds-Cds)CtH -506 Cs-CbCt(Cds-Cdd)H Cs-CbCt(Cds-Cdd-Cd)H -507 Cs-CbCt(Cds-Cdd-Od)H Cs-(Cds-Cdd-Od)(Cds-Cds)CtH -508 Cs-CbCt(Cds-Cdd-Cd)H Cs-CbCt(Cds-Cds)H -509 Cs-CbCbCdsH Cs-CbCb(Cds-Cds)H -510 Cs-CbCb(Cds-Od)H Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -511 Cs-CbCb(Cds-Cds)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -512 Cs-CbCb(Cds-Cdd)H Cs-CbCb(Cds-Cdd-Cd)H -513 Cs-CbCb(Cds-Cdd-Od)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -514 Cs-CbCb(Cds-Cdd-Cd)H Cs-CbCb(Cds-Cds)H -515 Cs-CtCtCtH 10.11 -10.46 3.03 5.27 6.78 7.88 9.14 10.08 8.47 Cs-CtCtCtH RAMAN and GREEN submitted 2002 -516 Cs-CbCtCtH Cs-CtCt(Cds-Cds)H -517 Cs-CbCbCtH Cs-(Cds-Cds)(Cds-Cds)CtH -518 Cs-CbCbCbH -0.34 -12.31 5.56 7.98 9.36 10.15 10.57 10.65 9.7 Cs-CbCbCbH BOZZELLI =3D Cs/Cs/Cb2/H + (Cs/Cs2/Cb/H - Cs/Cs3/H) -519 Cs-CCCC Cs-CsCsCsCs -520 Cs-CsCsCsCs 0.5 -35.1 4.37 6.13 7.36 8.12 8.77 8.76 8.12 Cs-CsCsCsCs BENSON -521 Cs-CdsCsCsCs Cs-(Cds-Cds)CsCsCs -522 Cs-(Cds-Od)CsCsCs 1.4 -34.72 3.99 6.04 7.43 8.26 8.92 8.96 8.23 "Cs-COCsCsCs Hf BENSON S,Cp =3D C/Cd/C3" -523 Cs-(Cds-Cd)CsCsCs Cs-(Cds-Cds)CsCsCs -524 Cs-(Cds-Cds)CsCsCs 1.68 -34.72 3.99 6.04 7.43 8.26 8.92 8.96 8.23 Cs-CdCsCsCs BENSON -525 Cs-(Cds-Cdd)CsCsCs Cs-(Cds-Cdd-Cd)CsCsCs -526 Cs-(Cds-Cdd-Od)CsCsCs -2.896 -34.87 4.48 6.06 7.31 8.07 8.59 8.66 8.29 {C/C3/CCO} RAMAN & GREEN JPCA. 2002 -527 Cs-(Cds-Cdd-Cd)CsCsCs Cs-(Cds-Cds)CsCsCs -528 Cs-CtCsCsCs 2.81 -35.18 4.37 6.79 8.09 8.78 9.19 8.96 7.63 Cs-CtCsCsCs BENSON -529 Cs-CbCsCsCs 2.81 -35.18 4.37 6.79 8.09 8.78 9.19 8.96 7.63 Cs-CbCsCsCs BENSON -530 Cs-CdsCdsCsCs Cs-(Cds-Cds)(Cds-Cds)CsCs -531 Cs-(Cds-Od)(Cds-Od)CsCs Cs-CsCsCsCs -532 Cs-(Cds-Od)(Cds-Cd)CsCs Cs-(Cds-Od)(Cds-Cds)CsCs -533 Cs-(Cds-Od)(Cds-Cds)CsCs Cs-(Cds-Od)CsCsCs -534 Cs-(Cds-Od)(Cds-Cdd)CsCs Cs-(Cds-Od)(Cds-Cdd-Cd)CsCs -535 Cs-(Cds-Od)(Cds-Cdd-Od)CsCs Cs-(Cds-Cdd-Od)CsCsCs -536 Cs-(Cds-Od)(Cds-Cdd-Cd)CsCs Cs-(Cds-Od)(Cds-Cds)CsCs -537 Cs-(Cds-Cd)(Cds-Cd)CsCs Cs-(Cds-Cds)(Cds-Cds)CsCs -538 Cs-(Cds-Cds)(Cds-Cds)CsCs 1.68 -34.72 3.99 6.04 7.43 8.26 8.92 8.96 8.23 Cs-CdCdCsCs BENSON -539 Cs-(Cds-Cdd)(Cds-Cds)CsCs Cs-(Cds-Cdd-Cd)(Cds-Cds)CsCs -540 Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs Cs-(Cds-Cdd-Od)CsCsCs -541 Cs-(Cds-Cdd-Cd)(Cds-Cds)CsCs Cs-(Cds-Cds)(Cds-Cds)CsCs -542 Cs-(Cds-Cdd)(Cds-Cdd)CsCs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsCs -543 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs -2.987 -36.46 6.73 8.10 9.02 9.53 9.66 9.52 8.93 {C/C2/CCO2} RAMAN & GREEN JPCA. 2002 -544 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsCs Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs -545 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsCs Cs-(Cds-Cds)(Cds-Cds)CsCs -546 Cs-CtCdsCsCs Cs-(Cds-Cds)CtCsCs -547 Cs-(Cds-Od)CtCsCs Cs-(Cds-Od)(Cds-Cds)CsCs -548 Cs-(Cds-Cd)CtCsCs Cs-(Cds-Cds)CtCsCs -549 Cs-(Cds-Cds)CtCsCs 2.99 -34.8 3.99 6.7 8.16 8.92 9.34 9.16 7.14 Cs-CtCdCsCs BOZZELLI =3D Cs/Cs3/Cd + (Cs/Cs3/Ct - Cs/Cs4) -550 Cs-(Cds-Cdd)CtCsCs Cs-(Cds-Cdd-Cd)CtCsCs -551 Cs-(Cds-Cdd-Od)CtCsCs Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs -552 Cs-(Cds-Cdd-Cd)CtCsCs Cs-(Cds-Cds)CtCsCs -553 Cs-CbCdsCsCs Cs-(Cds-Cds)CbCsCs -554 Cs-(Cds-Od)CbCsCs Cs-(Cds-Od)(Cds-Cds)CsCs -555 Cs-(Cds-Cd)CbCsCs Cs-(Cds-Cds)CbCsCs -556 Cs-(Cds-Cds)CbCsCs 2.99 -34.8 3.99 6.7 8.16 8.92 9.34 9.16 7.14 Cs-CbCdCsCs BOZZELLI =3D Cs/Cs3/Cb + (Cs/Cs3/Cd - Cs/Cs4) -557 Cs-(Cds-Cdd)CbCsCs Cs-(Cds-Cdd-Cd)CbCsCs -558 Cs-(Cds-Cdd-Od)CbCsCs Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs -559 Cs-(Cds-Cdd-Cd)CbCsCs Cs-(Cds-Cds)CbCsCs -560 Cs-CtCtCsCs 1.16 -35.26 3.57 5.98 7.51 8.37 9 9.02 8.34 Cs-CtCtCsCs BOZZELLI =3D Cs/Cs3/Ct + (Cs/Cs3/Ct - Cs/Cs4) -561 Cs-CbCtCsCs 1.16 -35.26 3.57 5.98 7.51 8.37 9 9.02 8.34 Cs-CbCtCsCs BOZZELLI =3D Cs/Cs3/Cb + (Cs/Cs3/Ct - Cs/Cs4) -562 Cs-CbCbCsCs 1.16 -35.26 3.57 5.98 7.51 8.37 9 9.02 8.34 Cs-CbCbCsCs BENSON -563 Cs-CdsCdsCdsCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -564 Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cs Cs-CsCsCsCs -565 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs -566 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs Cs-(Cds-Od)(Cds-Od)CsCs -567 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cs Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cs -568 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cs Cs-(Cds-Cdd-Od)CsCsCs -569 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs -570 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -571 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs Cs-(Cds-Od)CsCsCs -572 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cs Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cs -573 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs Cs-(Cds-Od)(Cds-Cdd-Od)CsCs -574 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -575 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cs Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs -576 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs -577 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs -578 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs // Would have same value as Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -579 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -580 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs 2.54 -33.96 3.32 5.86 7.57 8.54 9.22 9.36 8.45 Cs-CdCdCdCs BOZZELLI =3D Cs/Cs2/Cd2 + (Cs/Cs3/Cd - Cs/Cs4) -581 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cs -582 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs Cs-(Cds-Cdd-Od)CsCsCs -583 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -584 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cs Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs -585 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs -586 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -587 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -588 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs -589 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cs -590 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -591 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -592 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -593 Cs-CtCdsCdsCs Cs-(Cds-Cds)(Cds-Cds)CtCs -594 Cs-(Cds-Od)(Cds-Od)CtCs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs -595 Cs-(Cds-Od)(Cds-Cd)CtCs Cs-(Cds-Od)(Cds-Cds)CtCs -596 Cs-(Cds-Od)(Cds-Cds)CtCs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -597 Cs-(Cds-Od)(Cds-Cdd)CtCs Cs-(Cds-Od)(Cds-Cdd-Cd)CtCs -598 Cs-(Cds-Od)(Cds-Cdd-Od)CtCs Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs -599 Cs-(Cds-Od)(Cds-Cdd-Cd)CtCs Cs-(Cds-Od)(Cds-Cds)CtCs -600 Cs-(Cds-Cd)(Cds-Cd)CtCs Cs-(Cds-Cds)(Cds-Cds)CtCs -601 Cs-(Cds-Cds)(Cds-Cds)CtCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -602 Cs-(Cds-Cdd)(Cds-Cds)CtCs Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCs -603 Cs-(Cds-Cdd-Od)(Cds-Cds)CtCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -604 Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCs Cs-(Cds-Cds)(Cds-Cds)CtCs -605 Cs-(Cds-Cdd)(Cds-Cdd)CtCs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCs -606 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCs Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -607 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCs Cs-(Cds-Cdd-Od)(Cds-Cds)CtCs -608 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCs Cs-(Cds-Cds)(Cds-Cds)CtCs -609 Cs-CbCdsCdsCs Cs-(Cds-Cds)(Cds-Cds)CbCs -610 Cs-(Cds-Od)(Cds-Od)CbCs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs -611 Cs-(Cds-Od)(Cds-Cd)CbCs Cs-(Cds-Od)(Cds-Cds)CbCs -612 Cs-(Cds-Od)(Cds-Cds)CbCs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -613 Cs-(Cds-Od)(Cds-Cdd)CbCs Cs-(Cds-Od)(Cds-Cdd-Cd)CbCs -614 Cs-(Cds-Od)(Cds-Cdd-Od)CbCs Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs -615 Cs-(Cds-Od)(Cds-Cdd-Cd)CbCs Cs-(Cds-Od)(Cds-Cds)CbCs -616 Cs-(Cds-Cd)(Cds-Cd)CbCs Cs-(Cds-Cds)(Cds-Cds)CbCs -617 Cs-(Cds-Cds)(Cds-Cds)CbCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -618 Cs-(Cds-Cdd)(Cds-Cds)CbCs Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCs -619 Cs-(Cds-Cdd-Od)(Cds-Cds)CbCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -620 Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCs Cs-(Cds-Cds)(Cds-Cds)CbCs -621 Cs-(Cds-Cdd)(Cds-Cdd)CbCs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCs -622 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCs Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -623 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCs Cs-(Cds-Cdd-Od)(Cds-Cds)CbCs -624 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCs Cs-(Cds-Cds)(Cds-Cds)CbCs -625 Cs-CtCtCdsCs Cs-(Cds-Cds)CtCtCs -626 Cs-(Cds-Od)CtCtCs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -627 Cs-(Cds-Cd)CtCtCs Cs-(Cds-Cds)CtCtCs -628 Cs-(Cds-Cds)CtCtCs 5.10 -34.88 3.99 7.36 8.89 9.58 9.76 9.16 7.25 Cs-CtCtCdCs BOZZELLI =3D Cs/Cd2/Cs2 + (Cs/Cs3/Ct - Cs/Cs4) -629 Cs-(Cds-Cdd)CtCtCs Cs-(Cds-Cdd-Cd)CtCtCs -630 Cs-(Cds-Cdd-Od)CtCtCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -631 Cs-(Cds-Cdd-Cd)CtCtCs Cs-(Cds-Cds)CtCtCs -632 Cs-CbCtCdsCs Cs-(Cds-Cds)CbCtCs -633 Cs-(Cds-Od)CbCtCs Cs-(Cds-Od)(Cds-Cds)CtCs -634 Cs-(Cds-Cd)CbCtCs Cs-(Cds-Cds)CbCtCs -635 Cs-(Cds-Cds)CbCtCs 5.10 -34.88 3.99 7.36 8.89 9.58 9.76 9.16 7.25 Cs-CbCtCdCs BOZZELLI =3D Cs/Cb/Cd/Cs2 + (Cs/Cs3/Ct - Cs/Cs4) -636 Cs-(Cds-Cdd)CbCtCs Cs-(Cds-Cdd-Cd)CbCtCs -637 Cs-(Cds-Cdd-Od)CbCtCs Cs-(Cds-Cdd-Od)(Cds-Cds)CtCs -638 Cs-(Cds-Cdd-Cd)CbCtCs 5.10 -34.88 3.99 7.36 8.89 9.58 9.76 9.16 7.25 Cs-CbCtCdCs BOZZELLI =3D Cs/Cb/Cd/Cs2 + (Cs/Cs3/Ct - Cs/Cs4) -639 Cs-CbCbCdsCs Cs-(Cds-Cds)CbCbCs -640 Cs-(Cds-Od)CbCbCs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -641 Cs-(Cds-Cd)CbCbCs Cs-(Cds-Cds)CbCbCs -642 Cs-(Cds-Cds)CbCbCs 5.10 -34.88 3.99 7.36 8.89 9.58 9.76 9.16 7.25 Cs-CbCbCdCs BOZZELLI =3D Cs/Cs2/Cb2 + (Cs/Cs3/Cd - Cs/Cs4) -643 Cs-(Cds-Cdd)CbCbCs Cs-(Cds-Cdd-Cd)CbCbCs -644 Cs-(Cds-Cdd-Od)CbCbCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -645 Cs-(Cds-Cdd-Cd)CbCbCs Cs-(Cds-Cds)CbCbCs -646 Cs-CtCtCtCs 6.23 -35.34 4.37 8.11 9.55 10.1 10.03 9.36 6.65 Cs-CtCtCtCs BOZZELLI =3D Cs/Cs2/Ct2 + (Cs/Cs3/Ct - Cs/Cs4) -647 Cs-CbCtCtCs 6.23 -35.34 4.37 8.11 9.55 10.1 10.03 9.36 6.65 Cs-CbCtCtCs BOZZELLI =3D Cs/Cs2/Cb/Ct + (Cs/Cs3/Ct - Cs/Cs4) -648 Cs-CbCbCtCs 6.43 -35.34 4.37 8.11 9.55 10.1 10.03 9.36 6.65 Cs-CbCbCtCs BOZZELLI =3D Cs/Cs2/Cb2 + (Cs/Cs3/Ct - Cs/Cs4) -649 Cs-CbCbCbCs 6.23 -35.34 4.37 8.11 9.55 10.1 10.03 9.36 6.65 Cs-CbCbCbCs BOZZELLI =3D Cs/Cs2/Cb2 + (Cs/Cs3/Cb - Cs/Cs4) -650 Cs-CdsCdsCdsCds Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -651 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Od) Cs-CsCsCsCs -652 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cd) Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) -653 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cs -654 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd) Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Cd) -655 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)CsCsCs -656 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) -657 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)(Cds-Cd) Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -658 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) Cs-(Cds-Od)(Cds-Od)CsCs -659 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cds) Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds) -660 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cs -661 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds) Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -662 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -663 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs -664 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) -665 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -666 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)(Cds-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -667 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) Cs-(Cds-Od)CsCsCs -668 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) -669 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) Cs-(Cds-Od)(Cds-Cdd-Od)CsCs -670 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -671 Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -672 Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -673 Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -674 Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -675 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -676 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -677 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -678 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -679 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) // Would have same value as Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -680 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)(Cds-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -681 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) Cs-CsCsCsCs -682 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) -683 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)CsCsCs -684 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) // Would have same value as Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -685 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -686 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs -687 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -688 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) // Would have same value as Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -689 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -690 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -691 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -692 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -693 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -694 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -695 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -696 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) -697 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -698 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -699 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -700 Cs-CtCdsCdsCds Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -701 Cs-(Cds-Od)(Cds-Od)(Cds-Od)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) -702 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct -703 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -704 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Ct -705 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) -706 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct -707 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct -708 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -709 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Ct Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Ct -710 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -711 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct -712 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Ct Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct -713 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -714 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Ct -715 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct -716 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -717 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -718 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Ct -719 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -720 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -721 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Ct Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct -722 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -723 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct -724 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -725 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Ct Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct -726 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) -727 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct -728 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct -729 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -730 Cs-CbCdsCdsCds Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb -731 Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) -732 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cb -733 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -734 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cb -735 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) -736 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cb -737 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb -738 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -739 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cb Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cb -740 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -741 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb -742 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cb Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb -743 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -744 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cb -745 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb -746 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb -747 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -748 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cb -749 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -750 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb -751 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cb Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb -752 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -753 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cb -754 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb -755 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cb Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb -756 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) -757 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb -758 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cb -759 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb -760 Cs-CtCtCdsCds Cs-(Cds-Cds)(Cds-Cds)CtCt -761 Cs-(Cds-Od)(Cds-Od)CtCt Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -762 Cs-(Cds-Od)(Cds-Cd)CtCt Cs-(Cds-Od)(Cds-Cds)CtCt -763 Cs-(Cds-Od)(Cds-Cds)CtCt Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -764 Cs-(Cds-Od)(Cds-Cdd)CtCt Cs-(Cds-Od)(Cds-Cdd-Cd)CtCt -765 Cs-(Cds-Od)(Cds-Cdd-Od)CtCt Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -766 Cs-(Cds-Od)(Cds-Cdd-Cd)CtCt Cs-(Cds-Od)(Cds-Cds)CtCt -767 Cs-(Cds-Cd)(Cds-Cd)CtCt Cs-(Cds-Cds)(Cds-Cds)CtCt -768 Cs-(Cds-Cds)(Cds-Cds)CtCt 5.48 -34.5 3.61 7.3 8.97 9.69 9.84 9.42 7.36 Cs-CtCtCdCd BOZZELLI =3D Cs/Cs/Cd/Ct2 + (Cs/Cs3/Cd - Cs/Cs4) -769 Cs-(Cds-Cdd)(Cds-Cds)CtCt Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCt -770 Cs-(Cds-Cdd-Od)(Cds-Cds)CtCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -771 Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCt Cs-(Cds-Cds)(Cds-Cds)CtCt // Would have same value as Cs-(Cds-Cds)(Cds-Cds)CtCt -772 Cs-(Cds-Cdd)(Cds-Cdd)CtCt Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCt -773 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -774 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCt Cs-(Cds-Cdd-Od)(Cds-Cds)CtCt -775 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCt Cs-(Cds-Cds)(Cds-Cds)CtCt -776 Cs-CbCtCdsCds Cs-(Cds-Cds)(Cds-Cds)CbCt -777 Cs-(Cds-Od)(Cds-Od)CbCt Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct -778 Cs-(Cds-Od)(Cds-Cd)CbCt Cs-(Cds-Od)(Cds-Cds)CbCt -779 Cs-(Cds-Od)(Cds-Cds)CbCt Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct -780 Cs-(Cds-Od)(Cds-Cdd)CbCt Cs-(Cds-Od)(Cds-Cdd-Cd)CbCt -781 Cs-(Cds-Od)(Cds-Cdd-Od)CbCt Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Ct -782 Cs-(Cds-Od)(Cds-Cdd-Cd)CbCt Cs-(Cds-Od)(Cds-Cds)CbCt -783 Cs-(Cds-Cd)(Cds-Cd)CbCt Cs-(Cds-Cds)(Cds-Cds)CbCt -784 Cs-(Cds-Cds)(Cds-Cds)CbCt 5.48 -34.5 3.61 7.3 8.97 9.69 9.84 9.42 7.36 Cs-CbCtCdCd BOZZELLI =3D Cs/Cs/Cb/Cd2 + (Cs/Cs3/Ct - Cs/Cs4) -785 Cs-(Cds-Cdd)(Cds-Cds)CbCt Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCt -786 Cs-(Cds-Cdd-Od)(Cds-Cds)CbCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct -787 Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCt Cs-(Cds-Cds)(Cds-Cds)CbCt -788 Cs-(Cds-Cdd)(Cds-Cdd)CbCt Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCt -789 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCt Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct -790 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCt Cs-(Cds-Cdd-Od)(Cds-Cds)CbCt -791 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCt Cs-(Cds-Cds)(Cds-Cds)CbCt -792 Cs-CbCbCdsCds Cs-(Cds-Cds)(Cds-Cds)CbCb -793 Cs-(Cds-Od)(Cds-Od)CbCb Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -794 Cs-(Cds-Od)(Cds-Cd)CbCb Cs-(Cds-Od)(Cds-Cds)CbCb -795 Cs-(Cds-Od)(Cds-Cds)CbCb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -796 Cs-(Cds-Od)(Cds-Cdd)CbCb Cs-(Cds-Od)(Cds-Cdd-Cd)CbCb -797 Cs-(Cds-Od)(Cds-Cdd-Od)CbCb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -798 Cs-(Cds-Od)(Cds-Cdd-Cd)CbCb Cs-(Cds-Od)(Cds-Cds)CbCb -799 Cs-(Cds-Cd)(Cds-Cd)CbCb Cs-(Cds-Cds)(Cds-Cds)CbCb -800 Cs-(Cds-Cds)(Cds-Cds)CbCb 5.48 -34.5 3.61 7.3 8.97 9.69 9.84 9.42 7.36 Cs-CbCbCdCd BOZZELLI =3D Cs/Cs/Cb2/Cd + (Cs/Cs3/Cd - Cs/Cs4) -801 Cs-(Cds-Cdd)(Cds-Cds)CbCb Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCb -802 Cs-(Cds-Cdd-Od)(Cds-Cds)CbCb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -803 Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCb Cs-(Cds-Cds)(Cds-Cds)CbCb -804 Cs-(Cds-Cdd)(Cds-Cdd)CbCb Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCb -805 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -806 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCb Cs-(Cds-Cdd-Od)(Cds-Cds)CbCb -807 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCb Cs-(Cds-Cds)(Cds-Cds)CbCb -808 Cs-CtCtCtCds Cs-(Cds-Cds)CtCtCt -809 Cs-(Cds-Od)CtCtCt Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -810 Cs-(Cds-Cds)CtCtCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -811 Cs-(Cds-Cdd)CtCtCt Cs-(Cds-Cdd-Cd)CtCtCt -812 Cs-(Cds-Cdd-Od)CtCtCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -813 Cs-(Cds-Cdd-Cd)CtCtCt Cs-(Cds-Cds)CtCtCt // Would have same value as Cs-(Cds-Cds)CtCtCt -814 Cs-CbCtCtCds Cs-(Cds-Cds)CbCtCt -815 Cs-(Cds-Od)CbCtCt Cs-(Cds-Od)(Cds-Cds)CtCt -816 Cs-(Cds-Cd)CbCtCt Cs-(Cds-Cds)CbCtCt -817 Cs-(Cds-Cds)CbCtCt Cs-(Cds-Cds)(Cds-Cds)CtCt -818 Cs-(Cds-Cdd)CbCtCt Cs-(Cds-Cdd-Cd)CbCtCt -819 Cs-(Cds-Cdd-Od)CbCtCt Cs-(Cds-Cdd-Od)(Cds-Cds)CtCt -820 Cs-(Cds-Cdd-Cd)CbCtCt Cs-(Cds-Cds)CbCtCt -821 Cs-CbCbCtCds Cs-(Cds-Cds)CbCbCt -822 Cs-(Cds-Od)CbCbCt Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct -823 Cs-(Cds-Cd)CbCbCt Cs-(Cds-Cds)CbCbCt -824 Cs-(Cds-Cds)CbCbCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -825 Cs-(Cds-Cdd)CbCbCt Cs-(Cds-Cdd-Cd)CbCbCt -826 Cs-(Cds-Cdd-Od)CbCbCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct -827 Cs-(Cds-Cdd-Cd)CbCbCt Cs-(Cds-Cds)CbCbCt -828 Cs-CbCbCbCds Cs-(Cds-Cds)CbCbCb -829 Cs-(Cds-Od)CbCbCb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -830 Cs-(Cds-Cd)CbCbCb Cs-(Cds-Cds)CbCbCb -831 Cs-(Cds-Cds)CbCbCb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -832 Cs-(Cds-Cdd)CbCbCb Cs-(Cds-Cdd-Cd)CbCbCb -833 Cs-(Cds-Cdd-Od)CbCbCb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -834 Cs-(Cds-Cdd-Cd)CbCbCb Cs-(Cds-Cds)CbCbCb -835 Cs-CtCtCtCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -836 Cs-CbCtCtCt Cs-(Cds-Cds)CtCtCt -837 Cs-CbCbCtCt Cs-(Cds-Cds)(Cds-Cds)CtCt -838 Cs-CbCbCbCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -839 Cs-CbCbCbCb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -840 Cs-CCCOs Cs-CsCsCsOs -841 Cs-CsCsCsOs -6.6 -33.56 4.33 6.19 7.25 7.7 8.2 8.24 8.24 Cs-OCsCsCs BENSON !!!WARNING! Cp1500 value taken as Cp1000 -842 Cs-CdsCsCsOs Cs-(Cds-Cds)CsCsOs -843 Cs-(Cds-Od)CsCsOs -3.6 -34.72 3.99 6.04 7.43 8.26 8.92 8.96 8.23 "Cs-OCOCsCs Hf BENSON S,Cp =3D C/Cd/C3" -844 Cs-(Cds-Cd)CsCsOs Cs-(Cds-Cds)CsCsOs -845 Cs-(Cds-Cds)CsCsOs -6.6 -32.56 4.63 6.79 7.95 8.4 8.8 8.44 8.44 "Cs-OCdCsCs BOZZELLI C/C3/O - (C/C3/H - C/Cb/C2/H), Hf-1 !!!WARNING! Cp1500 value taken as Cp1000" -846 Cs-(Cds-Cdd)CsCsOs Cs-(Cds-Cdd-Cd)CsCsOs -847 Cs-(Cds-Cdd-Od)CsCsOs -9.725 -36.50 8.39 9.66 10.03 10.07 9.64 9.26 8.74 {C/CCO/O/C2} RAMAN & GREEN JPCA. 2002 -848 Cs-(Cds-Cdd-Cd)CsCsOs Cs-(Cds-Cds)CsCsOs -849 Cs-OsCtCsCs Cs-(Cds-Cds)CsCsOs -850 Cs-CbCsCsOs -6.6 -32.56 4.63 6.79 7.95 8.4 8.8 8.44 8.44 "Cs-OCbCsCs BOZZELLI C/C3/O - (C/C3/H - C/Cb/C2/H), Hf-1 !!!WARNING! Cp1500 value taken as Cp1000" -851 Cs-CdsCdsCsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -852 Cs-(Cds-Od)(Cds-Od)CsOs Cs-CsCsCsOs -853 Cs-(Cds-Od)(Cds-Cd)CsOs Cs-(Cds-Od)(Cds-Cds)CsOs -854 Cs-(Cds-Od)(Cds-Cds)CsOs Cs-(Cds-Od)CsCsOs -855 Cs-(Cds-Od)(Cds-Cdd)CsOs Cs-(Cds-Od)(Cds-Cdd-Cd)CsOs -856 Cs-(Cds-Od)(Cds-Cdd-Od)CsOs Cs-(Cds-Cdd-Od)CsCsOs -857 Cs-(Cds-Od)(Cds-Cdd-Cd)CsOs Cs-(Cds-Od)(Cds-Cds)CsOs -858 Cs-(Cds-Cd)(Cds-Cd)CsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -859 Cs-(Cds-Cds)(Cds-Cds)CsOs -8.01 -34.34 3.61 5.98 7.51 8.37 9 9.02 8.34 "Cs-OCdCdCs Hf jwb 697 S,Cp from C/Cd2/C2" -860 Cs-(Cds-Cdd)(Cds-Cds)CsOs Cs-(Cds-Cdd-Cd)(Cds-Cds)CsOs -861 Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs Cs-(Cds-Cdd-Od)CsCsOs -862 Cs-(Cds-Cdd-Cd)(Cds-Cds)CsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -863 Cs-(Cds-Cdd)(Cds-Cdd)CsOs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsOs -864 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -865 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsOs Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs -866 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -867 Cs-CtCdsCsOs Cs-(Cds-Cds)CtCsOs -868 Cs-(Cds-Od)CtCsOs Cs-(Cds-Od)(Cds-Cds)CsOs -869 Cs-(Cds-Cd)CtCsOs Cs-(Cds-Cds)CtCsOs -870 Cs-(Cds-Cds)CtCsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -871 Cs-(Cds-Cdd)CtCsOs Cs-(Cds-Cdd-Cd)CtCsOs -872 Cs-(Cds-Cdd-Od)CtCsOs Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs -873 Cs-(Cds-Cdd-Cd)CtCsOs Cs-(Cds-Cds)CtCsOs -874 Cs-CbCdsCsOs Cs-(Cds-Cds)CbCsOs -875 Cs-(Cds-Od)CbCsOs Cs-(Cds-Od)(Cds-Cds)CsOs -876 Cs-(Cds-Cd)CbCsOs Cs-(Cds-Cds)CbCsOs -877 Cs-(Cds-Cds)CbCsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -878 Cs-(Cds-Cdd)CbCsOs Cs-(Cds-Cdd-Cd)CbCsOs -879 Cs-(Cds-Cdd-Od)CbCsOs Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs -880 Cs-(Cds-Cdd-Cd)CbCsOs Cs-(Cds-Cds)CbCsOs -881 Cs-CtCtCsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -882 Cs-CbCtCsOs Cs-(Cds-Cds)CtCsOs -883 Cs-CbCbCsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -884 Cs-CdsCdsCdsOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -885 Cs-(Cds-Od)(Cds-Od)(Cds-Od)Os Cs-CsCsCsOs -886 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Os Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os -887 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os Cs-(Cds-Od)(Cds-Od)CsOs -888 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Os Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Os -889 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Os Cs-(Cds-Cdd-Od)CsCsOs -890 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Os Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os -891 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Os Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -892 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os Cs-(Cds-Od)CsCsOs -893 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Os Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Os -894 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os Cs-(Cds-Od)(Cds-Cdd-Od)CsOs -895 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Os Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -896 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Os Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os -897 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsOs -898 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os -899 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -900 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -901 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os Cs-CsCsCsOs -902 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Os -903 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os Cs-(Cds-Cdd-Od)CsCsOs -904 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -905 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Os Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os -906 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsOs -907 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -908 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -909 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Os Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os -910 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -911 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os -912 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -913 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -914 Cs-CtCdsCdsOs Cs-(Cds-Cds)(Cds-Cds)CtOs -915 Cs-(Cds-Od)(Cds-Od)CtOs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os -916 Cs-(Cds-Od)(Cds-Cd)CtOs Cs-(Cds-Od)(Cds-Cds)CtOs -917 Cs-(Cds-Od)(Cds-Cds)CtOs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -918 Cs-(Cds-Od)(Cds-Cdd)CtOs Cs-(Cds-Od)(Cds-Cdd-Cd)CtOs -919 Cs-(Cds-Od)(Cds-Cdd-Od)CtOs Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os -920 Cs-(Cds-Od)(Cds-Cdd-Cd)CtOs Cs-(Cds-Od)(Cds-Cds)CtOs -921 Cs-(Cds-Cd)(Cds-Cd)CtOs Cs-(Cds-Cds)(Cds-Cds)CtOs -922 Cs-(Cds-Cds)(Cds-Cds)CtOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -923 Cs-(Cds-Cdd)(Cds-Cds)CtOs Cs-(Cds-Cdd-Cd)(Cds-Cds)CtOs -924 Cs-(Cds-Cdd-Od)(Cds-Cds)CtOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -925 Cs-(Cds-Cdd-Cd)(Cds-Cds)CtOs Cs-(Cds-Cds)(Cds-Cds)CtOs -926 Cs-(Cds-Cdd)(Cds-Cdd)CtOs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtOs -927 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtOs Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os -928 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtOs Cs-(Cds-Cdd-Od)(Cds-Cds)CtOs -929 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtOs Cs-(Cds-Cds)(Cds-Cds)CtOs -930 Cs-CbCdsCdsOs Cs-(Cds-Cds)(Cds-Cds)CbOs -931 Cs-(Cds-Od)(Cds-Od)CbOs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os -932 Cs-(Cds-Od)(Cds-Cd)CbOs Cs-(Cds-Od)(Cds-Cds)CbOs -933 Cs-(Cds-Od)(Cds-Cds)CbOs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -934 Cs-(Cds-Od)(Cds-Cdd)CbOs Cs-(Cds-Od)(Cds-Cdd-Cd)CbOs -935 Cs-(Cds-Od)(Cds-Cdd-Od)CbOs Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os -936 Cs-(Cds-Od)(Cds-Cdd-Cd)CbOs Cs-(Cds-Od)(Cds-Cds)CbOs -937 Cs-(Cds-Cd)(Cds-Cd)CbOs Cs-(Cds-Cds)(Cds-Cds)CbOs -938 Cs-(Cds-Cds)(Cds-Cds)CbOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -939 Cs-(Cds-Cdd)(Cds-Cds)CbOs Cs-(Cds-Cdd-Cd)(Cds-Cds)CbOs -940 Cs-(Cds-Cdd-Od)(Cds-Cds)CbOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -941 Cs-(Cds-Cdd-Cd)(Cds-Cds)CbOs Cs-(Cds-Cds)(Cds-Cds)CbOs -942 Cs-(Cds-Cdd)(Cds-Cdd)CbOs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbOs -943 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbOs Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os -944 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbOs Cs-(Cds-Cdd-Od)(Cds-Cds)CbOs -945 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbOs Cs-(Cds-Cds)(Cds-Cds)CbOs -946 Cs-CtCtCdsOs Cs-(Cds-Cds)CtCtOs -947 Cs-(Cds-Od)CtCtOs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -948 Cs-(Cds-Cd)CtCtOs Cs-(Cds-Cds)CtCtOs -949 Cs-(Cds-Cds)CtCtOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -950 Cs-(Cds-Cdd)CtCtOs Cs-(Cds-Cdd-Cd)CtCtOs -951 Cs-(Cds-Cdd-Od)CtCtOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -952 Cs-(Cds-Cdd-Cd)CtCtOs Cs-(Cds-Cds)CtCtOs -953 Cs-CbCtCdsOs Cs-(Cds-Cds)CbCtOs -954 Cs-(Cds-Od)CbCtOs Cs-(Cds-Od)(Cds-Cds)CtOs -955 Cs-(Cds-Cd)CbCtOs Cs-(Cds-Cds)CbCtOs -956 Cs-(Cds-Cds)CbCtOs Cs-(Cds-Cds)(Cds-Cds)CtOs -957 Cs-(Cds-Cdd)CbCtOs Cs-(Cds-Cdd-Cd)CbCtOs -958 Cs-(Cds-Cdd-Od)CbCtOs Cs-(Cds-Cdd-Od)(Cds-Cds)CtOs -959 Cs-(Cds-Cdd-Cd)CbCtOs Cs-(Cds-Cds)CbCtOs -960 Cs-CbCbCdsOs Cs-(Cds-Cds)CbCbOs -961 Cs-(Cds-Od)CbCbOs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -962 Cs-(Cds-Cd)CbCbOs Cs-(Cds-Cds)CbCbOs -963 Cs-(Cds-Cds)CbCbOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -964 Cs-(Cds-Cdd)CbCbOs Cs-(Cds-Cdd-Cd)CbCbOs -965 Cs-(Cds-Cdd-Od)CbCbOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -966 Cs-(Cds-Cdd-Cd)CbCbOs Cs-(Cds-Cds)CbCbOs -967 Cs-CtCtCtOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -968 Cs-CbCtCtOs Cs-(Cds-Cds)CtCtOs -969 Cs-CbCbCtOs Cs-(Cds-Cds)(Cds-Cds)CtOs -970 Cs-CbCbCbOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -971 Cs-CCOsOs Cs-CsCsOsOs -972 Cs-CsCsOsOs -9.77 -33.18 3.8 6.09 7.3 7.78 8.24 8.24 8.24 Cs-OOCsCs BOZZELLI =3D C/C3/O - (C/C2/H2 - C/C/H2/O) !!!WARNING! Cp1500 value taken as Cp1000 -973 Cs-CdsCsOsOs Cs-(Cds-Cds)CsOsOs -974 Cs-(Cds-Od)CsOsOs Cs-CsCsOsOs -975 Cs-(Cds-Cd)CsOsOs Cs-(Cds-Cds)CsOsOs -976 Cs-(Cds-Cds)CsOsOs Cs-CsCsOsOs -977 Cs-(Cds-Cdd)CsOsOs Cs-(Cds-Cdd-Cd)CsOsOs -978 Cs-(Cds-Cdd-Od)CsOsOs Cs-(Cds-Cds)CsOsOs -979 Cs-(Cds-Cdd-Cd)CsOsOs Cs-(Cds-Cds)CsOsOs -980 Cs-CdsCdsOsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -981 Cs-(Cds-Od)(Cds-Od)OsOs Cs-CsCsOsOs -982 Cs-(Cds-Od)(Cds-Cd)OsOs Cs-(Cds-Od)(Cds-Cds)OsOs -983 Cs-(Cds-Od)(Cds-Cds)OsOs Cs-(Cds-Od)CsOsOs -984 Cs-(Cds-Od)(Cds-Cdd)OsOs Cs-(Cds-Od)(Cds-Cdd-Cd)OsOs -985 Cs-(Cds-Od)(Cds-Cdd-Od)OsOs Cs-(Cds-Cdd-Od)CsOsOs -986 Cs-(Cds-Od)(Cds-Cdd-Cd)OsOs Cs-(Cds-Od)(Cds-Cds)OsOs -987 Cs-(Cds-Cd)(Cds-Cd)OsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -988 Cs-(Cds-Cds)(Cds-Cds)OsOs Cs-CsCsOsOs -989 Cs-(Cds-Cdd)(Cds-Cds)OsOs Cs-(Cds-Cdd-Cd)(Cds-Cds)OsOs -990 Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs Cs-(Cds-Cdd-Od)CsOsOs -991 Cs-(Cds-Cdd-Cd)(Cds-Cds)OsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -992 Cs-(Cds-Cdd)(Cds-Cdd)OsOs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsOs -993 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -994 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsOs Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs -995 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -996 Cs-CtCsOsOs Cs-(Cds-Cds)CsOsOs -997 Cs-CtCdsOsOs Cs-(Cds-Cds)CtOsOs -998 Cs-(Cds-Od)CtOsOs Cs-(Cds-Od)(Cds-Cds)OsOs -999 Cs-(Cds-Cd)CtOsOs Cs-(Cds-Cds)CtOsOs -1000 Cs-(Cds-Cds)CtOsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -1001 Cs-(Cds-Cdd)CtOsOs Cs-(Cds-Cdd-Cd)CtOsOs -1002 Cs-(Cds-Cdd-Od)CtOsOs Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs -1003 Cs-(Cds-Cdd-Cd)CtOsOs Cs-(Cds-Cds)CtOsOs -1004 Cs-CtCtOsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -1005 Cs-CbCsOsOs Cs-(Cds-Cds)CsOsOs -1006 Cs-CbCdsOsOs Cs-(Cds-Cds)CbOsOs -1007 Cs-(Cds-Od)CbOsOs Cs-(Cds-Od)(Cds-Cds)OsOs -1008 Cs-(Cds-Cd)CbOsOs Cs-(Cds-Cds)CbOsOs -1009 Cs-(Cds-Cds)CbOsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -1010 Cs-(Cds-Cdd)CbOsOs Cs-(Cds-Cdd-Cd)CbOsOs -1011 Cs-(Cds-Cdd-Od)CbOsOs Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs -1012 Cs-(Cds-Cdd-Cd)CbOsOs Cs-(Cds-Cds)CbOsOs -1013 Cs-CbCtOsOs Cs-(Cds-Cds)CtOsOs -1014 Cs-CbCbOsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -1015 Cs-COsOsOs Cs-CsOsOsOs -1016 Cs-CsOsOsOs -19 -33.56 4.33 6.19 7.25 7.7 8.2 8.24 8.24 Cs-OOOCs BOZZELLI est !!!WARNING! Cp1500 value taken as Cp1000 -1017 Cs-CdsOsOsOs Cs-(Cds-Cds)OsOsOs -1018 Cs-(Cds-Od)OsOsOs Cs-CsOsOsOs -1019 Cs-(Cds-Cd)OsOsOs Cs-(Cds-Cds)OsOsOs -1020 Cs-(Cds-Cds)OsOsOs Cs-CsOsOsOs -1021 Cs-(Cds-Cdd)OsOsOs Cs-(Cds-Cdd-Cd)OsOsOs -1022 Cs-(Cds-Cdd-Od)OsOsOs Cs-(Cds-Cds)OsOsOs -1023 Cs-(Cds-Cdd-Cd)OsOsOs Cs-(Cds-Cds)OsOsOs -1024 Cs-CtOsOsOs Cs-(Cds-Cds)OsOsOs -1025 Cs-CbOsOsOs Cs-(Cds-Cds)OsOsOs -1026 Cs-OsOsOsOs -23 -35.56 4.33 6.13 7.25 7.7 8.2 8.24 8.24 Cs-OOOO BOZZELLI est !!!WARNING! Cp1500 value taken as Cp1000 -1027 Cs-COsOsH Cs-CsOsOsH -1028 Cs-CsOsOsH -16 -12.07 5.25 7.1 8.81 9.55 10.31 11.05 11.05 "Cs-OOCsH BENSON Hf, BOZZELLI C/C3/H - C/C2/O/H !!!WARNING! Cp1500 value taken as Cp1000" -1029 Cs-CdsOsOsH Cs-(Cds-Cds)OsOsH -1030 Cs-(Cds-Od)OsOsH Cs-CsOsOsH -1031 Cs-(Cds-Cd)OsOsH Cs-(Cds-Cds)OsOsH -1032 Cs-(Cds-Cds)OsOsH Cs-CsOsOsH -1033 Cs-(Cds-Cdd)OsOsH Cs-(Cds-Cdd-Cd)OsOsH -1034 Cs-(Cds-Cdd-Od)OsOsH Cs-(Cds-Cds)OsOsH -1035 Cs-(Cds-Cdd-Cd)OsOsH Cs-(Cds-Cds)OsOsH -1036 Cs-CtOsOsH Cs-(Cds-Cds)OsOsH -1037 Cs-CbOsOsH Cs-(Cds-Cds)OsOsH -1038 Cs-CCOsH Cs-CsCsOsH -1039 Cs-CsCsOsH -7.2 -11 4.8 6.64 8.1 8.73 9.81 10.4 11.51 Cs-OCsCs BENSON: Cp1500 =3D Cp1000*(Cp1500/Cp1000: C/C2Cd/H) -1040 Cs-CdsCsOsH Cs-(Cds-Cds)CsOsH -1041 Cs-(Cds-Od)CsOsH -6.0 -11.1 4.47 6.82 8.45 9.17 10.24 10.8 11.02 Cs-OCOCsH BOZZELLI -1042 Cs-(Cds-Cd)CsOsH Cs-(Cds-Cds)CsOsH -1043 Cs-(Cds-Cds)CsOsH -6.0 -11.1 4.47 6.82 8.45 9.17 10.24 10.8 11.02 Cs-OCdCsH BOZZELLI -1044 Cs-(Cds-Cdd)CsOsH Cs-(Cds-Cdd-Cd)CsOsH -1045 Cs-(Cds-Cdd-Od)CsOsH -8.370 -13.04 7.20 8.49 9.33 9.92 10.5 10.92 11.71 {C/CCO/O/C/H} RAMAN & GREEN JPCA. 2002 -1046 Cs-(Cds-Cdd-Cd)CsOsH Cs-(Cds-Cds)CsOsH -1047 Cs-CdsCdsOsH Cs-(Cds-Cds)(Cds-Cds)OsH -1048 Cs-(Cds-Od)(Cds-Od)OsH Cs-CsCsOsH -1049 Cs-(Cds-Od)(Cds-Cd)OsH Cs-(Cds-Od)(Cds-Cds)OsH -1050 Cs-(Cds-Od)(Cds-Cds)OsH Cs-(Cds-Od)CsOsH -1051 Cs-(Cds-Od)(Cds-Cdd)OsH Cs-(Cds-Od)(Cds-Cdd-Cd)OsH -1052 Cs-(Cds-Od)(Cds-Cdd-Od)OsH Cs-(Cds-Cdd-Od)CsOsH -1053 Cs-(Cds-Od)(Cds-Cdd-Cd)OsH Cs-(Cds-Od)(Cds-Cds)OsH -1054 Cs-(Cds-Cd)(Cds-Cd)OsH Cs-(Cds-Cds)(Cds-Cds)OsH -1055 Cs-(Cds-Cds)(Cds-Cds)OsH -6.67 -10.42 4.21 6.6 8.26 9.05 10.23 10.86 11.04 Cs-OCdCdH BOZZELLI -1056 Cs-(Cds-Cdd)(Cds-Cds)OsH Cs-(Cds-Cdd-Cd)(Cds-Cds)OsH -1057 Cs-(Cds-Cdd-Od)(Cds-Cds)OsH Cs-(Cds-Cdd-Od)CsOsH -1058 Cs-(Cds-Cdd-Cd)(Cds-Cds)OsH Cs-(Cds-Cds)(Cds-Cds)OsH -1059 Cs-(Cds-Cdd)(Cds-Cdd)OsH Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsH -1060 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsH Cs-(Cds-Cds)(Cds-Cds)OsH -1061 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsH Cs-(Cds-Cdd-Od)(Cds-Cds)OsH -1062 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsH Cs-(Cds-Cds)(Cds-Cds)OsH -1063 Cs-CtCsOsH Cs-(Cds-Cds)CsOsH -1064 Cs-CtCdsOsH Cs-(Cds-Cds)CtOsH -1065 Cs-(Cds-Od)CtOsH Cs-(Cds-Od)(Cds-Cds)OsH -1066 Cs-(Cds-Cd)CtOsH Cs-(Cds-Cds)CtOsH -1067 Cs-(Cds-Cds)CtOsH Cs-(Cds-Cds)(Cds-Cds)OsH -1068 Cs-(Cds-Cdd)CtOsH Cs-(Cds-Cdd-Cd)CtOsH -1069 Cs-(Cds-Cdd-Od)CtOsH Cs-(Cds-Cdd-Od)(Cds-Cds)OsH -1070 Cs-(Cds-Cdd-Cd)CtOsH Cs-(Cds-Cds)CtOsH -1071 Cs-CtCtOsH Cs-(Cds-Cds)(Cds-Cds)OsH -1072 Cs-CbCsOsH -6.0 -11.1 4.47 6.82 8.45 9.17 10.24 10.8 11.02 Cs-OCbCsH BOZZELLI =3D C/Cd/C/H/O Jul 91 -1073 Cs-CbCdsOsH Cs-(Cds-Cds)CbOsH -1074 Cs-(Cds-Od)CbOsH Cs-(Cds-Od)(Cds-Cds)OsH -1075 Cs-(Cds-Cd)CbOsH Cs-(Cds-Cds)CbOsH -1076 Cs-(Cds-Cds)CbOsH Cs-(Cds-Cds)(Cds-Cds)OsH -1077 Cs-(Cds-Cdd)CbOsH Cs-(Cds-Cdd-Cd)CbOsH -1078 Cs-(Cds-Cdd-Od)CbOsH Cs-(Cds-Cdd-Od)(Cds-Cds)OsH -1079 Cs-(Cds-Cdd-Cd)CbOsH Cs-(Cds-Cds)CbOsH -1080 Cs-CbCtOsH Cs-(Cds-Cds)CtOsH -1081 Cs-CbCbOsH Cs-(Cds-Cds)(Cds-Cds)OsH -1082 Cs-COsHH Cs-CsOsHH -1083 Cs-CsOsHH -8.1 9.8 4.99 6.85 8.3 9.43 11.11 12.33 12.33 Cs-OCsHH BENSON !!!WARNING! Cp1500 value taken as Cp1000 -1084 Cs-CdsOsHH Cs-(Cds-Cds)OsHH -1085 Cs-(Cds-Od)OsHH -5.28 10.17 2.95 6.74 8.53 9.8 11.61 12.65 14.4 Cs-OCOHH jwl 99 cdsQ cc*ocq -1086 Cs-(Cds-Cd)OsHH Cs-(Cds-Cds)OsHH -1087 Cs-(Cds-Cds)OsHH -6.76 9.8 5.12 6.86 8.32 9.49 11.22 12.48 14.4 Cs-OCdHH BOZZELLI Hf PEDLEY c*ccoh C/C/Cd/H2 -1088 Cs-(Cds-Cdd)OsHH Cs-(Cds-Cdd-Cd)OsHH -1089 Cs-(Cds-Cdd-Od)OsHH -8.680 8.43 7.15 8.67 9.75 10.65 11.93 12.97 14.86 {C/CCO/O/H2} RAMAN & GREEN JPCA. 2002 -1090 Cs-(Cds-Cdd-Cd)OsHH Cs-(Cds-Cds)OsHH -1091 Cs-CtOsHH -6.76 9.8 5.12 6.86 8.32 9.49 11.22 12.48 14.4 Cs-OCtHH BOZZELLI assigned C/Cd/H2/O -1092 Cs-CbOsHH Cs-(Cds-Cds)OsHH - -1093 O Os-CsCs -1094 Od Od-Cd -1095 Od-Cd 0 0 0 0 0 0 0 0 0 In this case the C is treated as the central atom -1096 Od-Od 0 25.19 3.5 3.61 3.72 3.825 4.035 4.175 4.36 "O2 Kee et al., SAND87-8215B, 1994", we cut it half to account for adding two single Od groups, also the symmetric number is considered too. S(group) = (S(o2) + Rln(sigma))/2 -1097 Os Os-(Cds-Cd)(Cds-Cd) -1098 Os-HH -57.8 46.51 8.03 8.19 8.42 8.68 9.26 9.86 11.26 O-HH WATER. !!!Using NIST value for H2O, S(group) = S(H2O) + Rln(2) -1099 Os-OsH -16.3 27.83 5.21 5.72 6.17 6.66 7.15 7.61 8.43 O-OH SANDIA 1/2*H2O2 -1100 Os-OsOs 8.85 9.4 2.2 3.64 4.2 4.34 4.62 4.9 4.9 O-OO LAY 1997=20 !!!WARNING! Cp1500 value taken as Cp1000 -1101 Os-CH Os-CsH -1102 Os-CtH -37.9 29.1 4.3 4.5 4.82 5.23 6.02 6.61 7.44 O-CtH BENSON (Assigned O-CsH) -1103 Os-CdsH Os-(Cds-Cd)H -1104 Os-(Cds-Od)H -58.1 24.5 3.8 5 5.8 6.3 7.2 7.8 7.8 O-COH !!!WARNING! Cp1500 value taken as Cp1000 -1105 Os-(Cds-Cd)H -37.9 29.1 4.3 4.5 4.82 5.23 6.02 6.61 7.44 O-CdH BENSON (Assigned O-CsH) -1106 Os-CsH -37.9 29.07 4.3 4.5 4.82 5.23 6.02 6.61 7.44 O-CsH BENSON -1107 Os-CbH -37.9 29.1 4.3 4.5 4.82 5.23 6.02 6.61 7.44 O-CbH BENSON (Assigned O-CsH) -1108 Os-OsC Os-OsCs -1109 Os-OsCt 7.0 10.8 3.9 4.31 4.6 4.84 5.32 5.8 5.8 "O-OCb Hf JWB plot S,Cp assigned O/O/Cd !!!WARNING! Cp1500 value taken as Cp1000" -1110 Os-OsCds Os-Os(Cds-Cd) -1111 Os-Os(Cds-Od) -23.22 9.11 3.53 5.02 5.79 6.08 6.54 6.49 6.49 O-OCO jwl cbsQ 99 cqcho=20 !!!WARNING! Cp1500 value taken as Cp1000 -1112 Os-Os(Cds-Cd) 1.64 10.12 3.5 3.87 3.95 4.15 4.73 4.89 4.89 "O-OCd WESTMORELAND S,Cp LAY'9405 !!!WARNING! Cp1500 value taken as Cp1000" -1113 Os-OsCs -5.40 8.54 3.9 4.31 4.6 4.84 5.32 5.8 5.8 O-OCs LAY 1997 !!!WARNING! Cp1500 value taken as Cp1000 -1114 Os-OsCb Os-Os(Cds-Cd) -1115 Os-CC Os-(Cds-Cd)(Cds-Cd) -1116 Os-CtCt Os-(Cds-Cd)(Cds-Cd) -1117 Os-CtCds Os-(Cds-Cd)(Cds-Cd) -1118 Os-Ct(Cds-Od) Os-(Cds-Cd)(Cds-Cd) -1119 Os-Ct(Cds-Cd) Os-(Cds-Cd)(Cds-Cd) -1120 Os-CtCs Os-Cs(Cds-Cd) -1121 Os-CtCb Os-(Cds-Cd)(Cds-Cd) -1122 Os-CdsCds Os-(Cds-Cd)(Cds-Cd) -1123 Os-(Cds-Od)(Cds-Od) -46.00 2.5 3.45 4.74 5.28 4.74 5.89 6.1 6.1 "O-COCO Hf BENSON S,Cp Mopac=3D" -1124 Os-(Cds-Od)(Cds-Cd) Os-(Cds-Cd)(Cds-Cd) -1125 Os-(Cds-Cd)(Cds-Cd) -32.80 10 3.4 3.7 3.7 3.8 4.4 4.6 4.8 O-CdCd BOZZELLI -1126 Os-CdsCs Os-Cs(Cds-Cd) -1127 Os-Cs(Cds-Od) -42.19 8.4 3.91 4.31 4.6 4.84 5.32 5.8 5.8 "O-COCs BOZZELLI Jul91 S,Cp ABaldwin O/Cs/O !!!WARNING! Cp1500 value taken as Cp1000" -1128 Os-Cs(Cds-Cd) -23.73 9.7 3.91 4.31 4.6 4.84 5.32 5.8 5.8 O-CdCs Hf RADOM vin-oh S A.Baldwin O/Cs/O !!!WARNING! Cp1500 value taken as Cp1000 -1129 Os-CsCs -23.20 8.68 3.40 3.70 3.70 3.80 4.40 4.60 4.60 O-CsCs BENSON !!!WARNING! Cp1500 value taken as Cp1000 -1130 Os-CsCb -22.60 9.70 3.40 3.70 3.70 3.80 4.40 4.60 4.60 "O-CbCs REID, PRAUSNITZ and SHERWOOD !!!WARNING! Cp1500 value taken as Cp1000" -1131 Os-CbCb -18.77 13.59 1.19 -0.24 -0.72 -0.51 0.43 1.36 1.75 "O-CbCb CHERN 1/97 Hf PEDLEY, Mopac" diff --git a/output/RMG_database_sulfur/thermo_groups/backup/Group_Tree.txt b/output/RMG_database_sulfur/thermo_groups/backup/Group_Tree.txt deleted file mode 100644 index 44110e0a2c..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/backup/Group_Tree.txt +++ /dev/null @@ -1,1228 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// Tree -// -// Jing Song: combine Joanna's carbon tree "CarbonTree_021018.txt" and oxygen Tree in "OxygenTree_021018.txt" -// Nov 7, 2002 -// -///////////////////////////////////////////////////////////////////// - - -////////////////////////////////////////////////////////////////// -// Carbon Tree -// Joanna Yu -// Oct. 18, 2002 -////////////////////////////////////////////////////////////////// - -////////////////////////////////////////////////////////////////// -//Thermo Tree & Nomenclature for groups with C as the central atom -// -//C Carbon atom, bonds are still not defined -//Ct Carbon atom with one triple bond and one single bond -//Cs Carbon atom with four single bonds -//Cd Carbon atom with one double bond and the rest not defined -//Cdd Carbon atom with two double bonds -//Cds Carbon atom with one double bond and two single bonds -//Cb Carbon atom belonging to a benzene ring -//Cbf Carbon atom belonging to a fused benzene ring -//H Hydrogen atom -//Os Oxygen atom with two single bonds -//Od Oxygen atom with one double bond -////////////////////////////////////////////////////////////////// - -L0: R - -L1: C - L2: Cbf - L3: Cbf-CbCbCbf - L3: Cbf-CbCbfCbf - L3: Cbf-CbfCbfCbf - L2: Cb - L3: Cb-H - L3: Cb-Os - L3: Cb-C - L4: Cb-Cs - L4: Cb-Cds - L5: Cb-(Cds-Od) // Cb-CO - L5: Cb-(Cds-Cd) - L6: Cb-(Cds-Cds) // Cb-Cd - L6: Cb-(Cds-Cdd) - L7: Cb-(Cds-Cdd-Od) // Cb-Ck - L7: Cb-(Cds-Cdd-Cd) // Cb-Cd - L4: Cb-Ct - L4: Cb-Cb - L2: Ct - L3: Ct-H - L3: Ct-Os - L3: Ct-C - L4: Ct-Cs - L4: Ct-Cds - L5: Ct-(Cds-Od) // Ct-CO - L5: Ct-(Cds-Cd) - L6: Ct-(Cds-Cds) // Ct-Cd - L6: Ct-(Cds-Cdd) - L7: Ct-(Cds-Cdd-Od) // Ct-Ck - L7: Ct-(Cds-Cdd-Cd) // Ct-Cd - - L4: Ct-Ct - L4: Ct-Cb - - L2: Cdd - L3: Cdd-OdOd // CO2 - L3: Cdd-CdOd - L4: Cdd-CdsOd // O=C*=C< currently treat the adjacent C as Ck - L4: Cdd-CddOd // O=C*=C= currently not defined - L5: Cdd-(Cdd-Od)Od - L5: Cdd-(Cdd-Cd)Od - - L3: Cdd-CdCd // Currently all the nodes under this have one value (Ca) - L4: Cdd-CddCdd // I don't think these groups have been defined. - L5: Cdd-(Cdd-Od)(Cdd-Od) // O=C=C*=C=O - L5: Cdd-(Cdd-Od)(Cdd-Cd) // O=C=C*=C=C the carbon at the edge is not defined, otherwise this COuld go on indefinetely! - L5: Cdd-(Cdd-Cd)(Cdd-Cd) // C=C=C*=C=C the carbons at the edges are not defined! - L4: Cdd-CddCds // I don't think these groups have been defined. - L5: Cdd-(Cdd-Od)Cds // O=C=C*=C< - L5: Cdd-(Cdd-Cd)Cds // C=C=C*=C< - L4: Cdd-CdsCds // Ca , that is >C=C=C< - - L2: Cds - L3: Cds-OdHH - L3: Cds-OdOsH - L3: Cds-OdOsOs - L3: Cds-OdCH - L4: Cds-OdCsH - L4: Cds-OdCdsH - L5: Cds-Od(Cds-Od)H // CO-COH - L5: Cds-Od(Cds-Cd)H - L6: Cds-Od(Cds-Cds)H // CO-CdH - L6: Cds-Od(Cds-Cdd)H - L7: Cds-Od(Cds-Cdd-Od)H // CO-CkH - L7: Cds-Od(Cds-Cdd-Cd)H // CO-(Cd-Ca)H - L4: Cds-OdCtH - L4: Cds-OdCbH - - L3: Cds-OdCOs - L4: Cds-OdCsOs - L4: Cds-OdCdsOs - L5: Cds-Od(Cds-Od)Os // CO-COO - L5: Cds-Od(Cds-Cd)Os - L6: Cds-Od(Cds-Cds)Os // CO-CdO - L6: Cds-Od(Cds-Cdd)Os - L7: Cds-Od(Cds-Cdd-Od)Os // CO-CkO - L7: Cds-Od(Cds-Cdd-Cd)Os // CO-(Cd-Ca)O - - L4: Cds-OdCtOs - L4: Cds-OdCbOs - - L3: Cds-OdCC - L4: Cds-OdCsCs - L4: Cds-OdCdsCs - L5: Cds-Od(Cds-Od)Cs // CO-COCs - L5: Cds-Od(Cds-Cd)Cs - L6: Cds-Od(Cds-Cds)Cs // CO-CdCs - L6: Cds-Od(Cds-Cdd)Cs - L7: Cds-Od(Cds-Cdd-Od)Cs // CO-CkCs - L7: Cds-Od(Cds-Cdd-Cd)Cs // CO-(Cd-Ca)Cs - L4: Cds-OdCdsCds - L5: Cds-Od(Cds-Od)(Cds-Od) // CO-COCO - L5: Cds-Od(Cds-Cd)(Cds-Od) - L6: Cds-Od(Cds-Cds)(Cds-Od) // CO-CdCO - L6: Cds-Od(Cds-Cdd)(Cds-Od) - L7: Cds-Od(Cds-Cdd-Od)(Cds-Od) // CO-CkCO - L7: Cds-Od(Cds-Cdd-Cd)(Cds-Od) // CO-(Cd-Ca)CO - L5: Cds-Od(Cds-Cd)(Cds-Cd) - L6: Cds-Od(Cds-Cds)(Cds-Cds) // CO-CdCd - L6: Cds-Od(Cds-Cdd)(Cds-Cds) - L7: Cds-Od(Cds-Cdd-Od)(Cds-Cds) // CO-CkCd - L7: Cds-Od(Cds-Cdd-Cd)(Cds-Cds) // CO-(Cd-Ca)Cd - L6: Cds-Od(Cds-Cdd)(Cds-Cdd) - L7: Cds-Od(Cds-Cdd-Od)(Cds-Cdd-Od) // CO-CkCk - L7: Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Od) // CO-(Cd-Ca)Ck - L7: Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Cd) // CO-(Cd-Ca)(Cd-Ca) - L4: Cds-OdCtCs - L4: Cds-OdCtCds - L5: Cds-OdCt(Cds-Od) // CO-COCt - L5: Cds-OdCt(Cds-Cd) - L6: Cds-OdCt(Cds-Cds) // CO-CdCt - L6: Cds-OdCt(Cds-Cdd) - L7: Cds-OdCt(Cds-Cdd-Od) // CO-CkCt - L7: Cds-OdCt(Cds-Cdd-Cd) // CO-(Cd-Ca)Ct - L4: Cds-OdCtCt - L4: Cds-OdCbCs - L4: Cds-OdCbCds - L5: Cds-OdCb(Cds-Od) // CO-COCbCO - L5: Cds-OdCb(Cds-Cd) - L6: Cds-OdCb(Cds-Cds) // CO-CdCb - L6: Cds-OdCb(Cds-Cdd) - L7: Cds-OdCb(Cds-Cdd-Od) // CO-CkCb - L7: Cds-OdCb(Cds-Cdd-Cd) // CO-(Cd-Ca)Cb - L4: Cds-OdCbCt - L4: Cds-OdCbCb - - L3: Cds-CdHH - L4: Cds-CdsHH - L4: Cds-CddHH - L5: Cds-(Cdd-Od)HH // Ck-HH - L5: Cds-(Cdd-Cd)HH // Cd-CaHH - L3: Cds-CdOsH - L4: Cds-CdsOsH - L4: Cds-CddOsH - L5: Cds-(Cdd-Od)OsH // Ck-OH - L5: Cds-(Cdd-Cd)OsH // Cd-CaOH - L3: Cds-CdOsOs - L4: Cds-CdsOsOs - L4: Cds-CddOsOs - L5: Cds-(Cdd-Od)OsOs // Ck-OO - L5: Cds-(Cdd-Cd)OsOs // Cd-CaOO - - L3: Cds-CdCH - L4: Cds-CdsCsH - L4: Cds-CdsCdsH - L5: Cds-Cds(Cds-Od)H // Cd-COH - L5: Cds-Cds(Cds-Cd)H - L6: Cds-Cds(Cds-Cds)H // Cd-CdH - L6: Cds-Cds(Cds-Cdd)H - L7: Cds-Cds(Cds-Cdd-Od)H // Cd-CkH - L7: Cds-Cds(Cds-Cdd-Cd)H // Cd-(Cd-Ca)H - L4: Cds-CdsCtH - L4: Cds-CdsCbH - L4: Cds-CddCsH - L5: Cds-(Cdd-Od)CsH // Ck-CH - L5: Cds-(Cdd-Cd)CsH // Cd-CaCH - L4: Cds-CddCdsH - L5: Cds-(Cdd-Od)(Cds-Od)H // Ck-COH - L5: Cds-(Cdd-Od)(Cds-Cd)H - L6: Cds-(Cdd-Od)(Cds-Cds)H // Ck-CdH - L6: Cds-(Cdd-Od)(Cds-Cdd)H - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)H // Ck-CkH - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)H // Ck-(Cd-Ca)H - L5: Cds-(Cdd-Cd)(Cds-Od)H - L5: Cds-(Cdd-Cd)(Cds-Cd)H - L6: Cds-(Cdd-Cd)(Cds-Cds)H // Cd-CaCdH - L6: Cds-(Cdd-Cd)(Cds-Cdd)H - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)H // Cd-CaCkH - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)H // Cd-Ca(Cd-Ca)H - L4: Cds-CddCtH - L5: Cds-(Cdd-Od)CtH // Ck-CtH - L5: Cds-(Cdd-Cd)CtH // Cd-CaCtH - L4: Cds-CddCbH - L5: Cds-(Cdd-Od)CbH // Ck-CbH - L5: Cds-(Cdd-Cd)CbH // Cd-CaCbH - L3: Cds-CdCO - L4: Cds-CdsCsOs - L4: Cds-CdsCdsOs - L5: Cds-Cds(Cds-Od)Os // Cd-COO - L5: Cds-Cds(Cds-Cd)Os - L6: Cds-Cds(Cds-Cds)Os // Cd-CdO - L6: Cds-Cds(Cds-Cdd)Os - L7: Cds-Cds(Cds-Cdd-Od)Os // Cd-CkO - L7: Cds-Cds(Cds-Cdd-Cd)Os // Cd-(Cd-Ca)O - L4: Cds-CdsCtOs - L4: Cds-CdsCbOs - L4: Cds-CddCsOs - L5: Cds-(Cdd-Od)CsOs // Ck-CO - L5: Cds-(Cdd-Cd)CsOs // Cd-CaCO - L4: Cds-CddCdsOs - L5: Cds-(Cdd-Od)(Cds-Od)Os // Ck-COO - L5: Cds-(Cdd-Od)(Cds-Cd)Os - L6: Cds-(Cdd-Od)(Cds-Cds)Os // Ck-CdO - L6: Cds-(Cdd-Od)(Cds-Cdd)Os - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)Os // Ck-CkO - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)Os // Ck-(Cd-Ca)O - L5: Cds-(Cdd-Cd)(Cds-Cd)Os - L6: Cds-(Cdd-Cd)(Cds-Cds)Os // Cd-CaCdO - L6: Cds-(Cdd-Cd)(Cds-Cdd)Os - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)Os // Cd-CaCkO - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)Os // Cd-Ca(Cd-Ca)O - L4: Cds-CddCtOs - L5: Cds-(Cdd-Od)CtOs // Ck-CtO - L5: Cds-(Cdd-Cd)CtOs // Cd-CaCtO - L4: Cds-CddCbOs - L5: Cds-(Cdd-Od)CbOs // Ck-CbO - L5: Cds-(Cdd-Cd)CbOs // Cd-CaCbO - L3: Cds-CdCC - L4: Cds-CdsCsCs - L4: Cds-CdsCdsCs - L5: Cds-Cds(Cds-Od)Cs // Cd-COCs - L5: Cds-Cds(Cds-Cd)Cs - L6: Cds-Cds(Cds-Cds)Cs // Cd-CdCs - L6: Cds-Cds(Cds-Cdd)Cs - L7: Cds-Cds(Cds-Cdd-Od)Cs // Cd-CkC - L7: Cds-Cds(Cds-Cdd-Cd)Cs // Cd-(Cd-Ca)C - L4: Cds-CdsCdsCds - L5: Cds-Cds(Cds-Od)(Cds-Od) // Cd-COCO - L5: Cds-Cds(Cds-Od)(Cds-Cd) - L6: Cds-Cds(Cds-Od)(Cds-Cds) // Cd-COCd - L6: Cds-Cds(Cds-Od)(Cds-Cdd) - L7: Cds-Cds(Cds-Od)(Cds-Cdd-Od) // Cd-COCk - L7: Cds-Cds(Cds-Od)(Cds-Cdd-Cd) // Cd-CO(Cd-Ca) - L5: Cds-Cds(Cds-Cd)(Cds-Cd) - L6: Cds-Cds(Cds-Cds)(Cds-Cds) // Cd-CdCd - L6: Cds-Cds(Cds-Cds)(Cds-Cdd) - L7: Cds-Cds(Cds-Cds)(Cds-Cdd-Od) // Cd-CkCd - L7: Cds-Cds(Cds-Cds)(Cds-Cdd-Cd) // Cd-(Cd-Ca)Cd - L6: Cds-Cds(Cds-Cdd)(Cds-Cdd) - L7: Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Od) // Cd-CkCk - L7: Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Cd) // Cd-Ck(Cd-Ca) - L7: Cds-Cds(Cds-Cdd-Cd)(Cds-Cdd-Cd) // Cd-(Cd-Ca)(Cd-Ca) - L4: Cds-CdsCtCs - L4: Cds-CdsCtCds - L5: Cds-CdsCt(Cds-Od) // Cd-COCt - L5: Cds-CdsCt(Cds-Cd) - L6: Cds-Cds(Cds-Cds)Ct // Cd-CdCt - L6: Cds-Cds(Cds-Cdd)Ct - L7: Cds-Cds(Cds-Cdd-Od)Ct // Cd-CkCt - L7: Cds-Cds(Cds-Cdd-Cd)Ct // Cd-(Cd-Ca)Ct - L4: Cds-CdsCtCt - L4: Cds-CdsCbCs - L4: Cds-CdsCbCds - L5: Cds-CdsCb(Cds-Od) // Cd-COCb - L5: Cds-Cds(Cds-Cd)Cb - L6: Cds-Cds(Cds-Cds)Cb // Cd-CdCb - L6: Cds-Cds(Cds-Cdd)Cb - L7: Cds-Cds(Cds-Cdd-Od)Cb // Cd-CkCb - L7: Cds-Cds(Cds-Cdd-Cd)Cb // Cd-(Cd-Ca)Cb - L4: Cds-CdsCbCt - L4: Cds-CdsCbCb - L4: Cds-CddCsCs - L5: Cds-(Cdd-Od)CsCs // Ck-CC - L5: Cds-(Cdd-Cd)CsCs // Cd-CaCC - L4: Cds-CddCdsCs - L5: Cds-(Cdd-Od)(Cds-Od)Cs // Ck-COC - L5: Cds-(Cdd-Od)(Cds-Cd)Cs - L6: Cds-(Cdd-Od)(Cds-Cds)Cs // Ck-CdC - L6: Cds-(Cdd-Od)(Cds-Cdd)Cs - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)Cs // Ck-CkC - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)Cs // Ck-(Cd-Ca)C - L5: Cds-(Cdd-Cd)(Cds-Cd)Cs - L6: Cds-(Cdd-Cd)(Cds-Cds)Cs // Cd-CaCdC - L6: Cds-(Cdd-Cd)(Cds-Cdd)Cs - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)Cs // Cd-CaCkC - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cs // Cd-Ca(Cd-Ca)C - L4: Cds-CddCdsCds - L5: Cds-(Cdd-Od)(Cds-Od)(Cds-Od) // Ck-COCO - L5: Cds-(Cdd-Od)(Cds-Cd)(Cds-Od) - L6: Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) // Ck-CdCO - L6: Cds-(Cdd-Od)(Cds-Cdd)(Cds-Od) - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Od) // Ck-CkCO - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Od) // Ck-(Cd-Ca)CO - L5: Cds-(Cdd-Od)(Cds-Cd)(Cds-Cd) - L6: Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) // Ck-CdCd - L6: Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cds) - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) // Ck-CkCd - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cds) // Ck-(Cd-Ca)Cd - L6: Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cdd) - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) // Ck-CkCk - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) // Ck-Ck(Cd-Ca) - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // Ck-(Cd-Ca)(Cd-Ca) - - L5: Cds-(Cdd-Cd)(Cds-Od)(Cds-Od) // Cd-CaCOCO - L5: Cds-(Cdd-Cd)(Cds-Od)(Cds-Cd) - L6: Cds-(Cdd-Cd)(Cds-Od)(Cds-Cds) // Cd-CaCOCd - L6: Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd) - L7: Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Od) // Cd-CaCOCk - L7: Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Cd) // Cd-CaCO(Cd-Ca) - L5: Cds-(Cdd-Cd)(Cds-Cd)(Cds-Cd) - L6: Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) // Cd-CaCdCd - L6: Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cds) - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cds) // Cd-CaCkCd - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cds) // Cd-Ca(Cd-Ca)Cd - L6: Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cdd) - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Od) // Cd-CaCkCk - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Cd) // Cd-CaCk(Cd-Ca) - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // Cd-Ca(Cd-Ca)(Cd-Ca) - - L4: Cds-CddCtCs - L5: Cds-(Cdd-Od)CtCs // Ck-CtC - L5: Cds-(Cdd-Cd)CtCs // Cd-CaCtC - L4: Cds-CddCtCds - L5: Cds-(Cdd-Od)(Cds-Od)Ct // Ck-COCt - L5: Cds-(Cdd-Od)(Cds-Cd)Ct - L6: Cds-(Cdd-Od)(Cds-Cds)Ct // Ck-CdCt - L6: Cds-(Cdd-Od)(Cds-Cdd)Ct - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)Ct // Ck-CkCt - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)Ct // Ck-(Cd-Ca)Ct - L5: Cds-(Cdd-Cd)(Cds-Cd)Ct - L6: Cds-(Cdd-Cd)(Cds-Cds)Ct // Cd-CaCdCt - L6: Cds-(Cdd-Cd)(Cds-Cdd)Ct - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)Ct // Cd-CaCkCt - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)Ct // Cd-Ca(Cd-Ca)Ct - - - - L4: Cds-CddCtCt - L5: Cds-(Cdd-Od)CtCt // Ck-CtCt - L5: Cds-(Cdd-Cd)CtCt // Cd-CaCtCt - L4: Cds-CddCbCs - L5: Cds-(Cdd-Od)CbCs // Ck-CbC - L5: Cds-(Cdd-Cd)CbCs // Cd-CaCbC - L4: Cds-CddCbCds - L5: Cds-(Cdd-Od)(Cds-Od)Cb // Ck-COCb - L5: Cds-(Cdd-Od)(Cds-Cd)Cb - L6: Cds-(Cdd-Od)(Cds-Cds)Cb // Ck-CdCb - L6: Cds-(Cdd-Od)(Cds-Cdd)Cb - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)Cb // Ck-CkCb - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)Cb // Ck-(Cd-Ca)Cb - L5: Cds-(Cdd-Cd)(Cds-Cd)Cb - L6: Cds-(Cdd-Cd)(Cds-Cds)Cb // Cd-CaCdCb - L6: Cds-(Cdd-Cd)(Cds-Cdd)Cb - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)Cb // Cd-CaCkCb - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cb // Cd-Ca(Cd-Ca)Cb - L4: Cds-CddCbCt - L5: Cds-(Cdd-Od)CbCt // Ck-CbCt - L5: Cds-(Cdd-Cd)CbCt // Cd-CaCbCt - L4: Cds-CddCbCb - L5: Cds-(Cdd-Od)CbCb // Ck-CbCb - L5: Cds-(Cdd-Cd)CbCb // Cd-CaCbCb - - L2: Cs - L3: Cs-HHHH - L3: Cs-CHHH - L4: Cs-CsHHH - L4: Cs-CdsHHH - L5: Cs-(Cds-Od)HHH // Cs-COHHH - L5: Cs-(Cds-Cd)HHH - L6: Cs-(Cds-Cds)HHH // Cs-CdHHH - L6: Cs-(Cds-Cdd)HHH - L7: Cs-(Cds-Cdd-Od)HHH // Cs-CkHHH - L7: Cs-(Cds-Cdd-Cd)HHH // Cs-(Cd-Ca)HHH - L4: Cs-CtHHH - L4: Cs-CbHHH - - L3: Cs-OsHHH - L3: Cs-OsOsHH - L3: Cs-OsOsOsH - L3: Cs-CCHH - L4: Cs-CsCsHH - L4: Cs-CdsCsHH - L5: Cs-(Cds-Od)CsHH // C-COCHH - L5: Cs-(Cds-Cd)CsHH - L6: Cs-(Cds-Cds)CsHH // C-CdCHH - L6: Cs-(Cds-Cdd)CsHH - L7: Cs-(Cds-Cdd-Od)CsHH // C-CkCHH - L7: Cs-(Cds-Cdd-Cd)CsHH // C-(Cd-Ca)CHH - L4: Cs-CdsCdsHH - L5: Cs-(Cds-Od)(Cds-Od)HH // C-COCOHH - L5: Cs-(Cds-Od)(Cds-Cd)HH - L6: Cs-(Cds-Od)(Cds-Cds)HH // C-COCdHH - L6: Cs-(Cds-Od)(Cds-Cdd)HH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)HH // C-COCkHH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)HH // C-CO(Cd-Ca)HH - L5: Cs-(Cds-Cd)(Cds-Cd)HH - L6: Cs-(Cds-Cds)(Cds-Cds)HH // C-CdCdHH - L6: Cs-(Cds-Cdd)(Cds-Cds)HH - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)HH // Cs-CkCdHH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)HH // Cs-(Cd-Ca)CdHH - L6: Cs-(Cds-Cdd)(Cds-Cdd)HH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)HH // Cs-CkCkHH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)HH // Cs-Ck(Cd-Ca)HH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)HH // Cs-(Cd-Ca)(Cd-Ca)HH - L4: Cs-CtCsHH - L4: Cs-CtCdsHH - L5: Cs-(Cds-Od)CtHH // C-COCtHH - L5: Cs-(Cds-Cd)CtHH - L6: Cs-(Cds-Cds)CtHH // C-CdCtHH - L6: Cs-(Cds-Cdd)CtHH - L7: Cs-(Cds-Cdd-Od)CtHH // C-CkCtHH - L7: Cs-(Cds-Cdd-Cd)CtHH // C-(Cd-Ca)CtHH - L4: Cs-CtCtHH - L4: Cs-CbCsHH - L4: Cs-CbCdsHH - L5: Cs-(Cds-Od)CbHH // C-COCbHH - L5: Cs-(Cds-Cd)CbHH - L6: Cs-(Cds-Cds)CbHH // C-CdCbHH - L6: Cs-(Cds-Cdd)CbHH - L7: Cs-(Cds-Cdd-Od)CbHH // C-CkCbHH - L7: Cs-(Cds-Cdd-Cd)CbHH // C-(Cd-Ca)CbHH - L4: Cs-CbCtHH - L4: Cs-CbCbHH - - L3: Cs-CCCH - L4: Cs-CsCsCsH - L4: Cs-CdsCsCsH - L5: Cs-(Cds-Od)CsCsH // C-COCCH - L5: Cs-(Cds-Cd)CsCsH - L6: Cs-(Cds-Cds)CsCsH // C-CdCCH - L6: Cs-(Cds-Cdd)CsCsH - L7: Cs-(Cds-Cdd-Od)CsCsH // C-CkCCH - L7: Cs-(Cds-Cdd-Cd)CsCsH // C-(Cd-Ca)CCH - L4: Cs-CtCsCsH - L4: Cs-CbCsCsH - L4: Cs-CdsCdsCsH - L5: Cs-(Cds-Od)(Cds-Od)CsH // C-COCOCH - L5: Cs-(Cds-Od)(Cds-Cd)CsH - L6: Cs-(Cds-Od)(Cds-Cds)CsH // C-COCdCH - L6: Cs-(Cds-Od)(Cds-Cdd)CsH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CsH // C-COCkCH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CsH // C-CO(Cd-Ca)CH - L5: Cs-(Cds-Cd)(Cds-Cd)CsH - L6: Cs-(Cds-Cds)(Cds-Cds)CsH // C-CdCdCH - L6: Cs-(Cds-Cdd)(Cds-Cds)CsH - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CsH // Cs-CkCdCH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CsH // Cs-(Cd-Ca)CdCH - L6: Cs-(Cds-Cdd)(Cds-Cdd)CsH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsH // Cs-CkCkCH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsH // Cs-Ck(Cd-Ca)CH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsH // Cs-(Cd-Ca)(Cd-Ca)CH - L4: Cs-CtCdsCsH - L5: Cs-(Cds-Od)CtCsH // C-COCtCH - L5: Cs-(Cds-Cd)CtCsH - L6: Cs-(Cds-Cds)CtCsH // C-CdCtCH - L6: Cs-(Cds-Cdd)CtCsH - L7: Cs-(Cds-Cdd-Od)CtCsH // C-CkCtCH - L7: Cs-(Cds-Cdd-Cd)CtCsH // C-(Cd-Ca)CtCH - L4: Cs-CbCdsCsH - L5: Cs-(Cds-Od)CbCsH // C-COCbCH - L5: Cs-(Cds-Cd)CbCsH - L6: Cs-(Cds-Cds)CbCsH // C-CdCbCH - L6: Cs-(Cds-Cdd)CbCsH - L7: Cs-(Cds-Cdd-Od)CbCsH // C-CkCbCH - L7: Cs-(Cds-Cdd-Cd)CbCsH // C-(Cd-Ca)CbCH - L4: Cs-CtCtCsH - L4: Cs-CbCtCsH - L4: Cs-CbCbCsH - L4: Cs-CdsCdsCdsH - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)H // C-COCOCOH - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)H - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H // C-COCOCdH - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)H - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)H // C-COCOCkH - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)H // C-COCO(Cd-Ca)H - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)H - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H // C-COCdCdH - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)H - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H // Cs-COCkCdH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)H // Cs-CO(Cd-Ca)CdH - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)H - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H // Cs-COCkCkH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H // Cs-COCk(Cd-Ca)H - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H // Cs-CO(Cd-Ca)(Cd-Ca)H - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)H - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H // C-CdCdCdH - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)H - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H // C-CdCdCkH - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)H // C-CdCd(Cd-Ca)H - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)H - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H // C-CdCkCkH - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)H // C-CdCk(Cd-Ca)H - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H // C-Cd(Cd-Ca)(Cd-Ca)H - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)H - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H // C-CkCkCkH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H // C-CkCk(Cd-Ca)H - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H // C-Ck(Cd-Ca)(Cd-Ca)H - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H // C-(Cd-Ca)(Cd-Ca)(Cd-Ca)H - L4: Cs-CtCdsCdsH - L5: Cs-(Cds-Od)(Cds-Od)CtH // C-COCOCtH - L5: Cs-(Cds-Od)(Cds-Cd)CtH - L6: Cs-(Cds-Od)(Cds-Cds)CtH // C-COCdCtH - L6: Cs-(Cds-Od)(Cds-Cdd)CtH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CtH // C-COCkCtH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CtH // C-CO(Cd-Ca)CtH - L5: Cs-(Cds-Cd)(Cds-Cd)CtH - L6: Cs-(Cds-Cds)(Cds-Cds)CtH // C-CdCdCtH - L6: Cs-(Cds-Cdd)(Cds-Cds)CtH - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CtH // Cs-CkCdCtH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CtH // Cs-(Cd-Ca)CdCtH - L6: Cs-(Cds-Cdd)(Cds-Cdd)CtH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtH // Cs-CkCkCtH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtH // Cs-Ck(Cd-Ca)CtH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtH // Cs-(Cd-Ca)(Cd-Ca)CtH - L4: Cs-CbCdsCdsH - L5: Cs-(Cds-Od)(Cds-Od)CbH // C-COCOCbH - L5: Cs-(Cds-Od)(Cds-Cd)CbH - L6: Cs-(Cds-Od)(Cds-Cds)CbH // C-COCdCbH - L6: Cs-(Cds-Od)(Cds-Cdd)CbH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CbH // C-COCkCbH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CbH // C-CO(Cd-Ca)CbH - L5: Cs-(Cds-Cd)(Cds-Cd)CbH - L6: Cs-(Cds-Cds)(Cds-Cds)CbH // C-CdCdCbH - L6: Cs-(Cds-Cdd)(Cds-Cds)CbH - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CbH // Cs-CkCdCbH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbH // Cs-(Cd-Ca)CdCbH - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbH // Cs-CkCkCbH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbH // Cs-Ck(Cd-Ca)CbH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbH // Cs-(Cd-Ca)(Cd-Ca)CbH - L4: Cs-CtCtCdsH - L5: Cs-CtCt(Cds-Od)H // C-CtCtCOH - L5: Cs-CtCt(Cds-Cd)H - L6: Cs-CtCt(Cds-Cds)H // C-CtCtCdH - L6: Cs-CtCt(Cds-Cdd)H - L7: Cs-CtCt(Cds-Cdd-Od)H // C-CtCtCkH - L7: Cs-CtCt(Cds-Cdd-Cd)H // C-CtCt(Cd-Ca)H - L4: Cs-CbCtCdsH - L5: Cs-CbCt(Cds-Od)H // C-CbCtCOH - L5: Cs-CbCt(Cds-Cd)H - L6: Cs-CbCt(Cds-Cds)H // C-CbCtCdH - L6: Cs-CbCt(Cds-Cdd)H - L7: Cs-CbCt(Cds-Cdd-Od)H // C-CbCtCkH - L7: Cs-CbCt(Cds-Cdd-Cd)H // C-CbCt(Cd-Ca)H - L4: Cs-CbCbCdsH - L5: Cs-CbCb(Cds-Od)H // C-CbCbCOH - L5: Cs-CbCb(Cds-Cd)H - L6: Cs-CbCb(Cds-Cds)H // C-CbCbCdH - L6: Cs-CbCb(Cds-Cdd)H - L7: Cs-CbCb(Cds-Cdd-Od)H // C-CbCbCkH - L7: Cs-CbCb(Cds-Cdd-Cd)H // C-CbCb(Cd-Ca)H - L4: Cs-CtCtCtH - L4: Cs-CbCtCtH - L4: Cs-CbCbCtH - L4: Cs-CbCbCbH - - L3: Cs-CCCC - L4: Cs-CsCsCsCs - L4: Cs-CdsCsCsCs - L5: Cs-(Cds-Od)CsCsCs // C-COCCC - L5: Cs-(Cds-Cd)CsCsCs - L6: Cs-(Cds-Cds)CsCsCs // C-CdCCC - L6: Cs-(Cds-Cdd)CsCsCs - L7: Cs-(Cds-Cdd-Od)CsCsCs // C-CkCCC - L7: Cs-(Cds-Cdd-Cd)CsCsCs // C-(Cd-Ca)CCC - L4: Cs-CtCsCsCs - L4: Cs-CbCsCsCs - L4: Cs-CdsCdsCsCs - L5: Cs-(Cds-Od)(Cds-Od)CsCs // C-COCOCC - L5: Cs-(Cds-Od)(Cds-Cd)CsCs - L6: Cs-(Cds-Od)(Cds-Cds)CsCs // C-COCdCC - L6: Cs-(Cds-Od)(Cds-Cdd)CsCs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CsCs // C-COCkCC - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CsCs // C-CO(Cd-Ca)CC - L5: Cs-(Cds-Cd)(Cds-Cd)CsCs - L6: Cs-(Cds-Cds)(Cds-Cds)CsCs // C-CdCdCC - L6: Cs-(Cds-Cdd)(Cds-Cds)CsCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs // Cs-CkCdCC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CsCs // Cs-(Cd-Ca)CdCC - L6: Cs-(Cds-Cdd)(Cds-Cdd)CsCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs // Cs-CkCkCC - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsCs // Cs-Ck(Cd-Ca)CC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsCs // Cs-(Cd-Ca)(Cd-Ca)CC - L4: Cs-CtCdsCsCs - L5: Cs-(Cds-Od)CtCsCs // C-COCtCC - L5: Cs-(Cds-Cd)CtCsCs - L6: Cs-(Cds-Cds)CtCsCs // C-CdCtCC - L6: Cs-(Cds-Cdd)CtCsCs - L7: Cs-(Cds-Cdd-Od)CtCsCs // C-CkCtCC - L7: Cs-(Cds-Cdd-Cd)CtCsCs // C-(Cd-Ca)CtCC - L4: Cs-CbCdsCsCs - L5: Cs-(Cds-Od)CbCsCs // C-COCbCC - L5: Cs-(Cds-Cd)CbCsCs - L6: Cs-(Cds-Cds)CbCsCs // C-CdCbCC - L6: Cs-(Cds-Cdd)CbCsCs - L7: Cs-(Cds-Cdd-Od)CbCsCs // C-CkCbCC - L7: Cs-(Cds-Cdd-Cd)CbCsCs // C-(Cd-Ca)CbCC - L4: Cs-CtCtCsCs - L4: Cs-CbCtCsCs - L4: Cs-CbCbCsCs - L4: Cs-CdsCdsCdsCs - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cs // C-COCOCOC - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cs - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs // C-COCOCdC - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cs - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cs // C-COCOCkC - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cs // C-COCO(Cd-Ca)C - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cs - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs // C-COCdCdC - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs // Cs-COCkCdC - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cs // Cs-CO(Cd-Ca)CdC - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs // Cs-COCkCkC - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs // Cs-COCk(Cd-Ca)C - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs // Cs-CO(Cd-Ca)(Cd-Ca)C - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cs - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs // C-CdCdCdC - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cs - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs // C-CdCdCkC - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cs // C-CdCd(Cd-Ca)C - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cs - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs // C-CdCkCkC - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs // C-CdCk(Cd-Ca)C - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs // C-Cd(Cd-Ca)(Cd-Ca)C - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs // C-CkCkCkC - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs // C-CkCk(Cd-Ca)C - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs // C-Ck(Cd-Ca)(Cd-Ca)C - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs // C-(Cd-Ca)(Cd-Ca)(Cd-Ca)C - L4: Cs-CtCdsCdsCs - L5: Cs-(Cds-Od)(Cds-Od)CtCs // C-COCOCtC - L5: Cs-(Cds-Od)(Cds-Cd)CtCs - L6: Cs-(Cds-Od)(Cds-Cds)CtCs // C-COCdCtC - L6: Cs-(Cds-Od)(Cds-Cdd)CtCs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CtCs // C-COCkCtC - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CtCs // C-CO(Cd-Ca)CtC - L5: Cs-(Cds-Cd)(Cds-Cd)CtCs - L6: Cs-(Cds-Cds)(Cds-Cds)CtCs // C-CdCdCtC - L6: Cs-(Cds-Cdd)(Cds-Cds)CtCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CtCs // Cs-CkCdCtC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCs // Cs-(Cd-Ca)CdCtC - L6: Cs-(Cds-Cdd)(Cds-Cdd)CtCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCs // Cs-CkCkCtC - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCs // Cs-Ck(Cd-Ca)CtC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCs // Cs-(Cd-Ca)(Cd-Ca)CtC - L4: Cs-CbCdsCdsCs - L5: Cs-(Cds-Od)(Cds-Od)CbCs // C-COCOCbC - L5: Cs-(Cds-Od)(Cds-Cd)CbCs - L6: Cs-(Cds-Od)(Cds-Cds)CbCs // C-COCdCbC - L6: Cs-(Cds-Od)(Cds-Cdd)CbCs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CbCs // C-COCkCbC - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CbCs // C-CO(Cd-Ca)CbC - L5: Cs-(Cds-Cd)(Cds-Cd)CbCs - L6: Cs-(Cds-Cds)(Cds-Cds)CbCs // C-CdCdCbC - L6: Cs-(Cds-Cdd)(Cds-Cds)CbCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CbCs // Cs-CkCdCbC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCs // Cs-(Cd-Ca)CdCbC - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCs // Cs-CkCkCbC - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCs // Cs-Ck(Cd-Ca)CbC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCs // Cs-(Cd-Ca)(Cd-Ca)CbC - L4: Cs-CtCtCdsCs - L5: Cs-(Cds-Od)CtCtCs // C-COCtCtC - L5: Cs-(Cds-Cd)CtCtCs - L6: Cs-(Cds-Cds)CtCtCs // C-CdCtCtC - L6: Cs-(Cds-Cdd)CtCtCs - L7: Cs-(Cds-Cdd-Od)CtCtCs // C-CkCtCtC - L7: Cs-(Cds-Cdd-Cd)CtCtCs // C-(Cd-Ca)CtCtC - L4: Cs-CbCtCdsCs - L5: Cs-(Cds-Od)CbCtCs // C-COCbCtC - L5: Cs-(Cds-Cd)CbCtCs - L6: Cs-(Cds-Cds)CbCtCs // C-CdCbCtC - L6: Cs-(Cds-Cdd)CbCtCs - L7: Cs-(Cds-Cdd-Od)CbCtCs // C-CkCbCtC - L7: Cs-(Cds-Cdd-Cd)CbCtCs // C-(Cd-Ca)CbCtC - L4: Cs-CbCbCdsCs - L5: Cs-(Cds-Od)CbCbCs // C-COCbCbC - L5: Cs-(Cds-Cd)CbCbCs - L6: Cs-(Cds-Cds)CbCbCs // C-CdCbCbC - L6: Cs-(Cds-Cdd)CbCbCs - L7: Cs-(Cds-Cdd-Od)CbCbCs // C-CkCbCbC - L7: Cs-(Cds-Cdd-Cd)CbCbCs // C-(Cd-Ca)CbCbC - L4: Cs-CtCtCtCs - L4: Cs-CbCtCtCs - L4: Cs-CbCbCtCs - L4: Cs-CbCbCbCs - L4: Cs-CdsCdsCdsCds - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Od) // C-COCOCOCO - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cd) - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) // C-COCOCOCd - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd) - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Od) // C-COCOCOCk - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Cd) // C-COCOCO(Cd-Ca) - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)(Cds-Cd) - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) // C-COCOCdCd - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cds) - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) // Cs-COCOCkCd - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds) // Cs-COCO(Cd-Ca)Cd - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) // Cs-COCOCkCk - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) // Cs-COCOCk(Cd-Ca) - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // Cs-COCO(Cd-Ca)(Cd-Ca) - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)(Cds-Cd) - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) // C-COCdCdCd - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd) - L7: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) // C-COCdCdCk - L7: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) // C-COCdCd(Cd-Ca) - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) // C-COCdCkCk - L7: Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) // C-COCdCk(Cd-Ca) - L7: Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-COCd(Cd-Ca)(Cd-Ca) - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) // C-COCkCkCk - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) // C-COCkCk(Cd-Ca) - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-COCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CO(Cd-Ca)(Cd-Ca)(Cd-Ca) - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)(Cds-Cd) - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) // C-CdCdCdCd - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd) - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) // C-CdCdCdCk - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) // C-CdCdCd(Cd-Ca) - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) // C-CdCdCkCk - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) // C-CdCdCk(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CdCd(Cd-Ca)(Cd-Ca) - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) // C-CdCkCkCk - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) // C-CdCkCk(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CdCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-Cd(Cd-Ca)(Cd-Ca)(Cd-Ca) - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) // C-CkCkCkCk - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) // C-CkCkCk(Cd-Ca) - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CkCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-Ck(Cd-Ca)(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-(Cd-Ca)(Cd-Ca)(Cd-Ca)(Cd-Ca) - L4: Cs-CtCdsCdsCds - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)Ct // C-COCOCOCt - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Ct - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct // C-COCOCdCt - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Ct - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Ct // C-COCOCkCt - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Ct // C-COCO(Cd-Ca)Ct - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Ct - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct // C-COCdCdCt - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Ct - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Ct // Cs-COCkCdCt - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Ct // Cs-CO(Cd-Ca)CdCt - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Ct - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct // Cs-COCkCkCt - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct // Cs-COCk(Cd-Ca)Ct - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct // Cs-CO(Cd-Ca)(Cd-Ca)Ct - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Ct - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct // C-CdCdCdCt - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Ct - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct // C-CdCdCkCt - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Ct // C-CdCd(Cd-Ca)Ct - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Ct - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct // C-CdCkCkCt - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct // C-CdCk(Cd-Ca)Ct - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct // C-Cd(Cd-Ca)(Cd-Ca)Ct - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Ct - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct // C-CkCkCkCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct // C-CkCk(Cd-Ca)Ct - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct // C-Ck(Cd-Ca)(Cd-Ca)Ct - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct // C-(Cd-Ca)(Cd-Ca)(Cd-Ca)Ct - L4: Cs-CbCdsCdsCds - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cb // C-COCOCOCb - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cb - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cb // C-COCOCdCb - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cb - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cb // C-COCOCkCb - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cb // C-COCO(Cd-Ca)Cb - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cb - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb // C-COCdCdCb - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cb - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cb // Cs-COCkCdCb - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cb // Cs-CO(Cd-Ca)CdCb - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cb - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb // Cs-COCkCkCb - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb // Cs-COCk(Cd-Ca)Cb - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb // Cs-CO(Cd-Ca)(Cd-Ca)Cb - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cb - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb // C-CdCdCdCb - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cb - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cb // C-CdCdCkCb - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cb // C-CdCd(Cd-Ca)Cb - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cb - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb // C-CdCkCkCb - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb // C-CdCk(Cd-Ca)Cb - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb // C-Cd(Cd-Ca)(Cd-Ca)Cb - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cb - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb // C-CkCkCkCb - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb // C-CkCk(Cd-Ca)Cb - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb // C-Ck(Cd-Ca)(Cd-Ca)Cb - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb // C-(Cd-Ca)(Cd-Ca)(Cd-Ca)Cb - L4: Cs-CtCtCdsCds - L5: Cs-(Cds-Od)(Cds-Od)CtCt // C-COCOCtCt - L5: Cs-(Cds-Od)(Cds-Cd)CtCt - L6: Cs-(Cds-Od)(Cds-Cds)CtCt // C-COCdCtCt - L6: Cs-(Cds-Od)(Cds-Cdd)CtCt - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CtCt // C-COCkCtCt - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CtCt // C-CO(Cd-Ca)CtCt - L5: Cs-(Cds-Cd)(Cds-Cd)CtCt - L6: Cs-(Cds-Cds)(Cds-Cds)CtCt // C-CdCdCtCt - L6: Cs-(Cds-Cdd)(Cds-Cds)CtCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CtCt // Cs-CkCdCtCt - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCt // Cs-(Cd-Ca)CdCtCt - L6: Cs-(Cds-Cdd)(Cds-Cdd)CtCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCt // Cs-CkCkCtCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCt // Cs-Ck(Cd-Ca)CtCt - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCt // Cs-(Cd-Ca)(Cd-Ca)CtCt - L4: Cs-CbCtCdsCds - L5: Cs-(Cds-Od)(Cds-Od)CbCt // C-COCOCbCt - L5: Cs-(Cds-Od)(Cds-Cd)CbCt - L6: Cs-(Cds-Od)(Cds-Cds)CbCt // C-COCdCbCt - L6: Cs-(Cds-Od)(Cds-Cdd)CbCt - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CbCt // C-COCkCbCt - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CbCt // C-CO(Cd-Ca)CbCt - L5: Cs-(Cds-Cd)(Cds-Cd)CbCt - L6: Cs-(Cds-Cds)(Cds-Cds)CbCt // C-CdCdCbCt - L6: Cs-(Cds-Cdd)(Cds-Cds)CbCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CbCt // Cs-CkCdCbCt - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCt // Cs-(Cd-Ca)CdCbCt - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCt // Cs-CkCkCbCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCt // Cs-Ck(Cd-Ca)CbCt - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCt // Cs-(Cd-Ca)(Cd-Ca)CbCt - L4: Cs-CbCbCdsCds - L5: Cs-(Cds-Od)(Cds-Od)CbCb // C-COCOCbCb - L5: Cs-(Cds-Od)(Cds-Cd)CbCb - L6: Cs-(Cds-Od)(Cds-Cds)CbCb // C-COCdCbCb - L6: Cs-(Cds-Od)(Cds-Cdd)CbCb - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CbCb // C-COCkCbCb - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CbCb // C-CO(Cd-Ca)CbCb - L5: Cs-(Cds-Cd)(Cds-Cd)CbCb - L6: Cs-(Cds-Cds)(Cds-Cds)CbCb // C-CdCdCbCb - L6: Cs-(Cds-Cdd)(Cds-Cds)CbCb - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CbCb // Cs-CkCdCbCb - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCb // Cs-(Cd-Ca)CdCbCb - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbCb - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCb // Cs-CkCkCbCb - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCb // Cs-Ck(Cd-Ca)CbCb - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCb // Cs-(Cd-Ca)(Cd-Ca)CbCb - L4: Cs-CtCtCtCds - L5: Cs-(Cds-Od)CtCtCt // C-COCtCtCt - L5: Cs-(Cds-Cd)CtCtCt - L6: Cs-(Cds-Cds)CtCtCt // C-CdCtCtCt - L6: Cs-(Cds-Cdd)CtCtCt - L7: Cs-(Cds-Cdd-Od)CtCtCt // C-CkCtCtCt - L7: Cs-(Cds-Cdd-Cd)CtCtCt // C-(Cd-Ca)CtCtCt - L4: Cs-CbCtCtCds - L5: Cs-(Cds-Od)CbCtCt // C-COCbCtCt - L5: Cs-(Cds-Cd)CbCtCt - L6: Cs-(Cds-Cds)CbCtCt // C-CdCbCtCt - L6: Cs-(Cds-Cdd)CbCtCt - L7: Cs-(Cds-Cdd-Od)CbCtCt // C-CkCbCtCt - L7: Cs-(Cds-Cdd-Cd)CbCtCt // C-(Cd-Ca)CbCtCt - L4: Cs-CbCbCtCds - L5: Cs-(Cds-Od)CbCbCt // C-COCbCbCt - L5: Cs-(Cds-Cd)CbCbCt - L6: Cs-(Cds-Cds)CbCbCt // C-CdCbCbCt - L6: Cs-(Cds-Cdd)CbCbCt - L7: Cs-(Cds-Cdd-Od)CbCbCt // C-CkCbCbCt - L7: Cs-(Cds-Cdd-Cd)CbCbCt // C-(Cd-Ca)CbCbCt - L4: Cs-CbCbCbCds - L5: Cs-(Cds-Od)CbCbCb // C-COCbCbCb - L5: Cs-(Cds-Cd)CbCbCb - L6: Cs-(Cds-Cds)CbCbCb // C-CdCbCbCb - L6: Cs-(Cds-Cdd)CbCbCb - L7: Cs-(Cds-Cdd-Od)CbCbCb // C-CkCbCbCb - L7: Cs-(Cds-Cdd-Cd)CbCbCb // C-(Cd-Ca)CbCbCb - L4: Cs-CtCtCtCt - L4: Cs-CbCtCtCt - L4: Cs-CbCbCtCt - L4: Cs-CbCbCbCt - L4: Cs-CbCbCbCb - - L3: Cs-CCCOs - L4: Cs-CsCsCsOs - L4: Cs-CdsCsCsOs - L5: Cs-(Cds-Od)CsCsOs // C-OCOCC - L5: Cs-(Cds-Cd)CsCsOs - L6: Cs-(Cds-Cds)CsCsOs // C-OCdCC - L6: Cs-(Cds-Cdd)CsCsOs - L7: Cs-(Cds-Cdd-Od)CsCsOs // C-OCkCC - L7: Cs-(Cds-Cdd-Cd)CsCsOs // C-O(Cd-Ca)CC - L4: Cs-OsCtCsCs - L4: Cs-CbCsCsOs - L4: Cs-CdsCdsCsOs - L5: Cs-(Cds-Od)(Cds-Od)CsOs // C-OCOCOC - L5: Cs-(Cds-Od)(Cds-Cd)CsOs - L6: Cs-(Cds-Od)(Cds-Cds)CsOs // C-OCOCdC - L6: Cs-(Cds-Od)(Cds-Cdd)CsOs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CsOs // C-OCOCkC - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CsOs // C-OCO(Cd-Ca)C - L5: Cs-(Cds-Cd)(Cds-Cd)CsOs - L6: Cs-(Cds-Cds)(Cds-Cds)CsOs // C-OCdCdC - L6: Cs-(Cds-Cdd)(Cds-Cds)CsOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs // Cs-OCkCdC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CsOs // Cs-O(Cd-Ca)CdC - L6: Cs-(Cds-Cdd)(Cds-Cdd)CsOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsOs // Cs-OCkCkC - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsOs // Cs-OCk(Cd-Ca)C - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsOs // Cs-O(Cd-Ca)(Cd-Ca)C - L4: Cs-CtCdsCsOs - L5: Cs-(Cds-Od)CtCsOs // C-OCOCtC - L5: Cs-(Cds-Cd)CtCsOs - L6: Cs-(Cds-Cds)CtCsOs // C-OCdCtC - L6: Cs-(Cds-Cdd)CtCsOs - L7: Cs-(Cds-Cdd-Od)CtCsOs // C-OCkCtC - L7: Cs-(Cds-Cdd-Cd)CtCsOs // C-O(Cd-Ca)CtC - L4: Cs-CbCdsCsOs - L5: Cs-(Cds-Od)CbCsOs // C-OCOCbC - L5: Cs-(Cds-Cd)CbCsOs - L6: Cs-(Cds-Cds)CbCsOs // C-OCdCbC - L6: Cs-(Cds-Cdd)CbCsOs - L7: Cs-(Cds-Cdd-Od)CbCsOs // C-OCkCbC - L7: Cs-(Cds-Cdd-Cd)CbCsOs // C-O(Cd-Ca)CbC - L4: Cs-CtCtCsOs - L4: Cs-CbCtCsOs - L4: Cs-CbCbCsOs - L4: Cs-CdsCdsCdsOs - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)Os // C-OCOCOCO - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Os - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os // C-OCOCOCd - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Os - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Os // C-OCOCOCk - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Os // C-OCOCO(Cd-Ca) - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Os - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os // C-OCOCdCd - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Os - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os // Cs-OCOCkCd - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Os // Cs-OCO(Cd-Ca)Cd - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Os - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os // Cs-OCOCkCk - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os // Cs-OCOCk(Cd-Ca) - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os // Cs-OCO(Cd-Ca)(Cd-Ca) - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Os - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os // C-OCdCdCd - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Os - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os // C-OCdCdCk - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Os // C-OCdCd(Cd-Ca) - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Os - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os // C-OCdCkCk - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os // C-OCdCk(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os // C-OCd(Cd-Ca)(Cd-Ca) - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Os - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os // C-OCkCkCk - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os // C-OCkCk(Cd-Ca) - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os // C-OCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os // C-O(Cd-Ca)(Cd-Ca)(Cd-Ca) - L4: Cs-CtCdsCdsOs - L5: Cs-(Cds-Od)(Cds-Od)CtOs // C-COCOCtO - L5: Cs-(Cds-Od)(Cds-Cd)CtOs - L6: Cs-(Cds-Od)(Cds-Cds)CtOs // C-COCdCtO - L6: Cs-(Cds-Od)(Cds-Cdd)CtOs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CtOs // C-COCkCtO - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CtOs // C-CO(Cd-Ca)CtO - L5: Cs-(Cds-Cd)(Cds-Cd)CtOs - L6: Cs-(Cds-Cds)(Cds-Cds)CtOs // C-CdCdCtO - L6: Cs-(Cds-Cdd)(Cds-Cds)CtOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CtOs // Cs-CkCdCtO - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CtOs // Cs-(Cd-Ca)CdCtO - L6: Cs-(Cds-Cdd)(Cds-Cdd)CtOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtOs // Cs-CkCkCtO - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtOs // Cs-Ck(Cd-Ca)CtO - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtOs // Cs-(Cd-Ca)(Cd-Ca)CtO - L4: Cs-CbCdsCdsOs - L5: Cs-(Cds-Od)(Cds-Od)CbOs // C-COCOCbO - L5: Cs-(Cds-Od)(Cds-Cd)CbOs - L6: Cs-(Cds-Od)(Cds-Cds)CbOs // C-COCdCbO - L6: Cs-(Cds-Od)(Cds-Cdd)CbOs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CbOs // C-COCkCbO - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CbOs // C-CO(Cd-Ca)CbO - L5: Cs-(Cds-Cd)(Cds-Cd)CbOs - L6: Cs-(Cds-Cds)(Cds-Cds)CbOs // C-CdCdCbO - L6: Cs-(Cds-Cdd)(Cds-Cds)CbOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CbOs // Cs-CkCdCbO - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbOs // Cs-(Cd-Ca)CdCbO - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbOs // Cs-CkCkCbO - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbOs // Cs-Ck(Cd-Ca)CbO - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbOs // Cs-(Cd-Ca)(Cd-Ca)CbO - L4: Cs-CtCtCdsOs - L5: Cs-(Cds-Od)CtCtOs // C-OCOCtCt - L5: Cs-(Cds-Cd)CtCtOs - L6: Cs-(Cds-Cds)CtCtOs // C-OCdCtCt - L6: Cs-(Cds-Cdd)CtCtOs - L7: Cs-(Cds-Cdd-Od)CtCtOs // C-OCkCtCt - L7: Cs-(Cds-Cdd-Cd)CtCtOs // C-O(Cd-Ca)CtCt - L4: Cs-CbCtCdsOs - L5: Cs-(Cds-Od)CbCtOs // C-OCOCbCt - L5: Cs-(Cds-Cd)CbCtOs - L6: Cs-(Cds-Cds)CbCtOs // C-OCdCbCt - L6: Cs-(Cds-Cdd)CbCtOs - L7: Cs-(Cds-Cdd-Od)CbCtOs // C-OCkCbCt - L7: Cs-(Cds-Cdd-Cd)CbCtOs // C-O(Cd-Ca)CbCt - L4: Cs-CbCbCdsOs - L5: Cs-(Cds-Od)CbCbOs // C-OCOCbCb - L5: Cs-(Cds-Cd)CbCbOs - L6: Cs-(Cds-Cds)CbCbOs // C-OCdCbCb - L6: Cs-(Cds-Cdd)CbCbOs - L7: Cs-(Cds-Cdd-Od)CbCbOs // C-OCkCbCb - L7: Cs-(Cds-Cdd-Cd)CbCbOs // C-O(Cd-Ca)CbCb - L4: Cs-CtCtCtOs - L4: Cs-CbCtCtOs - L4: Cs-CbCbCtOs - L4: Cs-CbCbCbOs - - L3: Cs-CCOsOs - L4: Cs-CsCsOsOs - L4: Cs-CdsCsOsOs - L5: Cs-(Cds-Od)CsOsOs // C-OOCOC - L5: Cs-(Cds-Cd)CsOsOs - L6: Cs-(Cds-Cds)CsOsOs // C-OOCdC - L6: Cs-(Cds-Cdd)CsOsOs - L7: Cs-(Cds-Cdd-Od)CsOsOs // C-OOCkC - L7: Cs-(Cds-Cdd-Cd)CsOsOs // C-OO(Cd-Ca)C - L4: Cs-CdsCdsOsOs - L5: Cs-(Cds-Od)(Cds-Od)OsOs // C-OOCOCO - L5: Cs-(Cds-Od)(Cds-Cd)OsOs - L6: Cs-(Cds-Od)(Cds-Cds)OsOs // C-OOCOCd - L6: Cs-(Cds-Od)(Cds-Cdd)OsOs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)OsOs // C-OOCOCk - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)OsOs // C-OOCO(Cd-Ca) - L5: Cs-(Cds-Cd)(Cds-Cd)OsOs - L6: Cs-(Cds-Cds)(Cds-Cds)OsOs // C-CdCdOO - L6: Cs-(Cds-Cdd)(Cds-Cds)OsOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs // Cs-OOCkCd - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)OsOs // Cs-OO(Cd-Ca)Cd - L6: Cs-(Cds-Cdd)(Cds-Cdd)OsOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsOs // Cs-OOCkCk - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsOs // Cs-OOCk(Cd-Ca) - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsOs // Cs-OO(Cd-Ca)(Cd-Ca) - L4: Cs-CtCsOsOs - L4: Cs-CtCdsOsOs - L5: Cs-(Cds-Od)CtOsOs // C-OOCOCt - L5: Cs-(Cds-Cd)CtOsOs - L6: Cs-(Cds-Cds)CtOsOs // C-OOCdCt - L6: Cs-(Cds-Cdd)CtOsOs - L7: Cs-(Cds-Cdd-Od)CtOsOs // C-OOCkCt - L7: Cs-(Cds-Cdd-Cd)CtOsOs // C-OO(Cd-Ca)Ct - L4: Cs-CtCtOsOs - L4: Cs-CbCsOsOs - L4: Cs-CbCdsOsOs - L5: Cs-(Cds-Od)CbOsOs // C-OOCOCb - L5: Cs-(Cds-Cd)CbOsOs - L6: Cs-(Cds-Cds)CbOsOs // C-OOCdCb - L6: Cs-(Cds-Cdd)CbOsOs - L7: Cs-(Cds-Cdd-Od)CbOsOs // C-OOCkCb - L7: Cs-(Cds-Cdd-Cd)CbOsOs // C-OO(Cd-Ca)Cb - L4: Cs-CbCtOsOs - L4: Cs-CbCbOsOs - - L3: Cs-COsOsOs - L4: Cs-CsOsOsOs - L4: Cs-CdsOsOsOs - L5: Cs-(Cds-Od)OsOsOs // C-OOOCO - L5: Cs-(Cds-Cd)OsOsOs - L6: Cs-(Cds-Cds)OsOsOs // C-OOOCd - L6: Cs-(Cds-Cdd)OsOsOs - L7: Cs-(Cds-Cdd-Od)OsOsOs // C-OOOCk - L7: Cs-(Cds-Cdd-Cd)OsOsOs // C-OOO(Cd-Ca) - L4: Cs-CtOsOsOs - L4: Cs-CbOsOsOs - - L3: Cs-OsOsOsOs - - L3: Cs-COsOsH - L4: Cs-CsOsOsH - L4: Cs-CdsOsOsH - L5: Cs-(Cds-Od)OsOsH // C-OOCOH - L5: Cs-(Cds-Cd)OsOsH - L6: Cs-(Cds-Cds)OsOsH // C-OOCdH - L6: Cs-(Cds-Cdd)OsOsH - L7: Cs-(Cds-Cdd-Od)OsOsH // C-OOCkH - L7: Cs-(Cds-Cdd-Cd)OsOsH // C-OO(Cd-Ca)H - L4: Cs-CtOsOsH - L4: Cs-CbOsOsH - - L3: Cs-CCOsH - L4: Cs-CsCsOsH - L4: Cs-CdsCsOsH - L5: Cs-(Cds-Od)CsOsH // C-OCOCH - L5: Cs-(Cds-Cd)CsOsH - L6: Cs-(Cds-Cds)CsOsH // C-OCdCH - L6: Cs-(Cds-Cdd)CsOsH - L7: Cs-(Cds-Cdd-Od)CsOsH // C-OCkCH - L7: Cs-(Cds-Cdd-Cd)CsOsH // C-O(Cd-Ca)CH - L4: Cs-CdsCdsOsH - L5: Cs-(Cds-Od)(Cds-Od)OsH // C-OCOCOH - L5: Cs-(Cds-Od)(Cds-Cd)OsH - L6: Cs-(Cds-Od)(Cds-Cds)OsH // C-OCOCdH - L6: Cs-(Cds-Od)(Cds-Cdd)OsH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)OsH // C-OCOCkH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)OsH // C-OCO(Cd-Ca)H - L5: Cs-(Cds-Cd)(Cds-Cd)OsH - L6: Cs-(Cds-Cds)(Cds-Cds)OsH // C-CdCdOH - L6: Cs-(Cds-Cdd)(Cds-Cds)OsH - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)OsH // Cs-OCkCdH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)OsH // Cs-O(Cd-Ca)CdH - L6: Cs-(Cds-Cdd)(Cds-Cdd)OsH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsH // Cs-OCkCkH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsH // Cs-OCk(Cd-Ca)H - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsH // Cs-O(Cd-Ca)(Cd-Ca)H - L4: Cs-CtCsOsH - L4: Cs-CtCdsOsH - L5: Cs-(Cds-Od)CtOsH // C-OCOCtH - L5: Cs-(Cds-Cd)CtOsH - L6: Cs-(Cds-Cds)CtOsH // C-OCdCtH - L6: Cs-(Cds-Cdd)CtOsH - L7: Cs-(Cds-Cdd-Od)CtOsH // C-OCkCtH - L7: Cs-(Cds-Cdd-Cd)CtOsH // C-O(Cd-Ca)CtH - L4: Cs-CtCtOsH - L4: Cs-CbCsOsH - L4: Cs-CbCdsOsH - L5: Cs-(Cds-Od)CbOsH // C-OCOCbH - L5: Cs-(Cds-Cd)CbOsH - L6: Cs-(Cds-Cds)CbOsH // C-OCdCbH - L6: Cs-(Cds-Cdd)CbOsH - L7: Cs-(Cds-Cdd-Od)CbOsH // C-OCkCbH - L7: Cs-(Cds-Cdd-Cd)CbOsH // C-O(Cd-Ca)CbH - L4: Cs-CbCtOsH - L4: Cs-CbCbOsH - - L3: Cs-COsHH - L4: Cs-CsOsHH - L4: Cs-CdsOsHH - L5: Cs-(Cds-Od)OsHH // C-OCOHH - L5: Cs-(Cds-Cd)OsHH - L6: Cs-(Cds-Cds)OsHH // C-OCdHH - L6: Cs-(Cds-Cdd)OsHH - L7: Cs-(Cds-Cdd-Od)OsHH // C-OCkHH - L7: Cs-(Cds-Cdd-Cd)OsHH // C-O(Cd-Ca)HH - L4: Cs-CtOsHH - L4: Cs-CbOsHH - - -////////////////////////////////////////////////////////////////// -// Oxygen Tree -// Joanna Yu -// Oct. 18, 2002 -////////////////////////////////////////////////////////////////// - -////////////////////////////////////////////////////////////////// -//Thermo Tree & Nomenclature for groups with O as the central atom -// -//O Carbon atom, bonds are still not defined -//Os Oxygen atom with two single bonds -//Od Oxygen atom with one double bond -//C Carbon atom, bonds are still not defined -//Ct Carbon atom with one triple bond and one single bond -//Cdd Carbon atom with two double bonds -//Cds Carbon atom with one double bond and two single bonds -//Cs Carbon atom with four single bonds -//Cd Carbon atom with one double bond and the rest not defined -//Cb Carbon atom belonging to a benzene ring -//CO Non central carbon atom bonded with a double bond to a non central O -//H Hydrogen atom -////////////////////////////////////////////////////////////////// - -L1: O - L2: Od - L3: Od-Cd // This group is not defined here. C is central atom, go to carbon tree - L3: Od-Od - - L2: Os - L3: Os-HH - L3: Os-OsH - L3: Os-OsOs - L3: Os-CH - L4: Os-CtH - L4: Os-CdsH - L5: Os-(Cds-Od)H // O-COH - L5: Os-(Cds-Cd)H // O-CdH - L4: Os-CsH - L4: Os-CbH - L3: Os-OsC - L4: Os-OsCt - L4: Os-OsCds - L5: Os-Os(Cds-Od) // O-OCO - L5: Os-Os(Cds-Cd) // O-OCd - L4: Os-OsCs - L4: Os-OsCb - L3: Os-CC - L4: Os-CtCt - L4: Os-CtCds - L5: Os-Ct(Cds-Od) // O-CtCO - L5: Os-Ct(Cds-Cd) // O-CtCd - L4: Os-CtCs - L4: Os-CtCb - L4: Os-CdsCds - L5: Os-(Cds-Od)(Cds-Od) // O-COCO - L5: Os-(Cds-Od)(Cds-Cd) // O-COCd - L5: Os-(Cds-Cd)(Cds-Cd) // O-CdCd - L4: Os-CdsCs - L5: Os-Cs(Cds-Od) // O-CsCO - L5: Os-Cs(Cds-Cd) // O-CsCd - L4: Os-CdsCb - L5: Os-Cb(Cds-Od) // O-CbCO - L5: Os-Cb(Cds-Cd) // O-CbCd - L4: Os-CsCs - L4: Os-CsCb - L4: Os-CbCb - - - - - - - - diff --git a/output/RMG_database_sulfur/thermo_groups/backup/Library.txt b/output/RMG_database_sulfur/thermo_groups/backup/Library.txt deleted file mode 100644 index a2f154c9b3..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/backup/Library.txt +++ /dev/null @@ -1,1133 +0,0 @@ -//# Group H S Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 Note -1 C Cs-CsCsCsCs -2 Cbf Cbf-CbCbCbf -3 Cbf-CbCbCbf 4.80 -5 3.68 3.68 4.2 4.61 5.2 5.7 6.2 "Cbf-CbfCbCb STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -4 Cbf-CbCbfCbf 3.70 -5 3.68 3.68 4.2 4.61 5.2 5.7 6.2 "Cbf-CbfCbfCb STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -5 Cbf-CbfCbfCbf 1.5 1.8 2 3.11 3.9 3.44 4.7 5.3 5.7 "Cbf-CbfCbfCbf STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -6 Cb Cb-Cs -7 Cb-H 3.30 11.53 3.24 4.44 5.46 6.3 7.54 8.41 9.73 Cb-H BENSON -8 Cb-Os -0.9 -10.2 3.9 5.3 6.2 6.6 6.9 6.9 7.07 Cb-O BENSON Cp1500=3D Cp1000*(Cp1500/Cp1000: Cb/Cd) -9 Cb-C Cb-Cs -10 Cb-Cs 5.51 -7.69 2.67 3.14 3.68 4.15 4.96 5.44 4.98 Cb-Cs BENSON -11 Cb-Cds Cb-(Cds-Cds) -12 Cb-(Cds-Od) 3.69 -7.8 3.59 3.97 4.38 4.72 5.28 5.61 5.75 "Cb-CO STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -13 Cb-(Cds-Cd) Cb-(Cds-Cds) -14 Cb-(Cds-Cds) 5.69 -7.8 3.59 3.97 4.38 4.72 5.28 5.61 5.75 "Cb-Cd STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -15 Cb-(Cds-Cdd) Cb-(Cds-Cdd-Cd) -16 Cb-(Cds-Cdd-Od) Cb-(Cds-Cds) -17 Cb-(Cds-Cdd-Cd) Cb-(Cds-Cds) -18 Cb-Ct 5.69 -7.8 3.59 3.97 4.38 4.72 5.28 5.61 5.75 "Cb-Ct STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -19 Cb-Cb 4.96 -8.64 3.33 4.22 4.89 5.27 5.76 5.95 6.05 Cb-Cb BENSON -20 Ct Ct-Cs -21 Ct-H 26.93 24.7 5.28 5.99 6.49 6.87 7.47 7.96 8.85 "Ct-H STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -22 Ct-Os 31.40 4.91 3.64 4.39 4.85 5.63 5.66 5.73 5.73 Ct-O MELIUS / hc#coh !!!WARNING! Cp1500 value taken as Cp1000 -23 Ct-C Ct-Cs -24 Ct-Cs 27.55 6.35 3.13 3.48 3.81 4.09 4.6 4.92 6.35 "Ct-Cs STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -25 Ct-Cds Ct-(Cds-Cds) -26 Ct-(Cds-Od) Ct-Cs -27 Ct-(Cds-Cd) Ct-(Cds-Cds) -28 Ct-(Cds-Cds) 28.20 6.43 2.57 3.54 3.5 4.92 5.34 5.5 5.8 "Ct-Cd STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -29 Ct-(Cds-Cdd) Ct-(Cds-Cdd-Cd) -30 Ct-(Cds-Cdd-Od) Ct-(Cds-Cds) -31 Ct-(Cds-Cdd-Cd) Ct-(Cds-Cds) -32 Ct-Ct 25.60 5.88 3.54 4.06 4.4 4.64 5 5.23 5.57 "Ct-Ct STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -33 Ct-Cb 24.67 6.43 2.57 3.54 3.5 4.92 5.34 5.5 5.8 "Ct-Cb STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714" -34 Cdd Cdd-CdsCds -35 Cdd-OdOd -94.05 51.08 8.91 9.86 10.65 11.31 12.32 12.99 13.93 CHEMKIN DATABASE -36 Cdd-CdOd Cdd-CdsOd -37 Cdd-CdsOd 0 0 0 0 0 0 0 0 0 O=C*=C< currently treat the adjacent C as Ck -38 Cdd-CddOd Cdd-(Cdd-Cd)Od -39 Cdd-(Cdd-Cd)Od Cdd-CdsOd O=C*=C= currently not defined. Assigned same value as Ca -40 Cdd-(Cdd-Od)Od Cdd-CdsOd -41 Cdd-CdCd Cdd-CdsCds -42 Cdd-CddCdd Cdd-(Cdd-Cd)(Cdd-Cd) -43 Cdd-(Cdd-Od)(Cdd-Od) Cdd-CdsCds "O=C=C*=C=O, currently not defined. Assigned same value as Ca" -44 Cdd-(Cdd-Od)(Cdd-Cd) Cdd-(Cdd-Od)Cds "O=C=C*=C=C, currently not defined. Assigned same value as Ca" -45 Cdd-(Cdd-Cd)(Cdd-Cd) Cdd-CdsCds "C=C=C*=C=C, currently not defined. Assigned same value as Ca" -46 Cdd-CddCds Cdd-(Cdd-Cd)(Cdd-Cd) -47 Cdd-(Cdd-Od)Cds Cdd-CdsCds "O=C=C*=C<, currently not defined. Assigned same value as Ca " -48 Cdd-(Cdd-Cd)Cds Cdd-CdsCds "C=C=C*=C<, currently not defined. Assigned same value as Ca " -49 Cdd-CdsCds 34.20 6 3.9 4.4 4.7 5 5.3 5.5 5.7 "Ca STEIN and FAHR; J. PHYS. CHEM. 1985, 89, 17, 3714 " -50 Cds Cds-CdsCsCs -51 Cds-OdHH -26 52.3 8.47 9.38 10.46 11.52 13.37 14.81 14.81 CO-HH BENSON !!!WARNING! Cp1500 value taken as Cp1000 -52 Cds-OdOsH -32.1 34.9 7.03 7.87 8.82 9.68 11.2 12.2 12.2 CO-OH BENSON !!!WARNING! Cp1500 value taken as Cp1000 -53 Cds-OdOsOs -31.45 10.78 5.97 6.7 7.4 8.02 8.87 9.36 9.36 "CO-OO BOZZELLI 8/91, S CO/C/O, Hf PEDLEY ccoc*oocc Bsn Hf-24 !!!WARNING! Cp1500 value taken as Cp1000" -54 Cds-OdCH Cds-OdCsH -55 Cds-OdCsH -29.1 34.9 7.03 7.87 8.82 9.68 11.2 12.2 12.2 CO-CsH BENSON !!!WARNING! Cp1500 value taken as Cp1000 -56 Cds-OdCdsH Cds-Od(Cds-Cds)H -57 Cds-Od(Cds-Od)H -25.3 33.4 7.45 8.77 9.82 10.7 12.14 12.9 12.9 "CO-COH Hf BENSON S,Cp =3D CO/Cs/H-del(Cd/Cd/H-Cd/Cs/H) !!!WARNING! Cp1500 value taken as Cp1000" -58 Cds-Od(Cds-Cd)H Cds-Od(Cds-Cds)H -59 Cds-Od(Cds-Cds)H -30.9 33.4 7.45 8.77 9.82 10.7 12.14 12.9 12.9 "CO-CdH Hf BOZZELLI S,Cp =3D CO/C/H-del(cd syst) !!!WARNING! Cp1500 value taken as Cp1000" -60 Cds-Od(Cds-Cdd)H Cds-Od(Cds-Cdd-Cd)H -61 Cds-Od(Cds-Cdd-Od)H Cds-Od(Cds-Cds)H -62 Cds-Od(Cds-Cdd-Cd)H Cds-Od(Cds-Cds)H -63 Cds-OdCtH Cds-Od(Cds-Cds)H -64 Cds-OdCbH Cds-Od(Cds-Cds)H -65 Cds-OdCOs Cds-OdCsOs -66 Cds-OdCsOs -35.1 10.04 6.1 6.7 7.4 8.02 8.87 9.36 9.36 CO-OCs Hf BENSON S STULL !!!WARNING! Cp1500 value taken as Cp1000 -67 Cds-OdCdsOs Cds-Od(Cds-Cds)Os -68 Cds-Od(Cds-Od)Os -29.3 14.6 5.46 6.32 7.17 7.88 9 9.77 9.77 "CO-OCO Hf,S BOZZELLI Cp BENSON !!!WARNING! Cp1500 value taken as Cp1000" -69 Cds-Od(Cds-Cd)Os Cds-Od(Cds-Cds)Os -70 Cds-Od(Cds-Cds)Os -32.1 14.78 5.97 6.7 7.4 8.02 8.87 9.36 9.36 CO-OCd RPS + S Coreected !!!WARNING! Cp1500 value taken as Cp1000 -71 Cds-Od(Cds-Cdd)Os Cds-Od(Cds-Cdd-Cd)Os -72 Cds-Od(Cds-Cdd-Od)Os Cds-Od(Cds-Cds)Os -73 Cds-Od(Cds-Cdd-Cd)Os Cds-Od(Cds-Cds)Os -74 Cds-OdCtOs Cds-Od(Cds-Cds)Os -75 Cds-OdCbOs -36.6 14.78 5.97 6.7 7.4 8.02 8.87 9.36 9.36 CO-OCb RPS + S Coreected !!!WARNING! Cp1500 value taken as Cp1000 -76 Cds-OdCC Cds-OdCsCs -77 Cds-OdCsCs -31.4 15.01 5.59 6.32 7.09 7.76 8.89 9.61 9.61 CO-CsCs BENSON !!!WARNING! Cp1500 value taken as Cp1000 -78 Cds-OdCdsCs Cds-Od(Cds-Cds)Cs -79 Cds-Od(Cds-Od)Cs -29.1 14.6 5.46 6.32 7.17 7.88 9 9.77 9.77 "CO-COCs Hf,S BOZZELLI Cp BENSON !!!WARNING! Cp1500 value taken as Cp1000" -80 Cds-Od(Cds-Cd)Cs Cds-Od(Cds-Cds)Cs -81 Cds-Od(Cds-Cds)Cs -30.9 14.6 5.46 6.32 7.17 7.88 9 9.77 9.77 "CO-CdCs Hf BENSON =3D CO/Cb/C S,Cp !!!WARNING! Cp1500 value taken as Cp1000" -82 Cds-Od(Cds-Cdd)Cs Cds-Od(Cds-Cdd-Cd)Cs -83 Cds-Od(Cds-Cdd-Od)Cs Cds-Od(Cds-Cds)Cs -84 Cds-Od(Cds-Cdd-Cd)Cs Cds-Od(Cds-Cds)Cs -85 Cds-OdCdsCds Cds-Od(Cds-Cds)(Cds-Cds) -86 Cds-Od(Cds-Od)(Cds-Od) Cds-OdCsCs -87 Cds-Od(Cds-Cd)(Cds-Od) Cds-Od(Cds-Cds)(Cds-Od) -88 Cds-Od(Cds-Cds)(Cds-Od) Cds-Od(Cds-Od)Cs -89 Cds-Od(Cds-Cdd)(Cds-Od) Cds-Od(Cds-Cdd-Cd)(Cds-Od) -90 Cds-Od(Cds-Cdd-Od)(Cds-Od) Cds-Od(Cds-Cdd-Od)Cs -91 Cds-Od(Cds-Cdd-Cd)(Cds-Od) Cds-Od(Cds-Cds)(Cds-Od) -92 Cds-Od(Cds-Cd)(Cds-Cd) Cds-Od(Cds-Cds)(Cds-Cds) -93 Cds-Od(Cds-Cds)(Cds-Cds) -30.9 14.6 5.46 6.32 7.17 7.88 9 9.77 9.77 CO-CdCd Estimate BOZZELLI !!!WARNING! Cp1500 value taken as Cp1000 -94 Cds-Od(Cds-Cdd)(Cds-Cds) Cds-Od(Cds-Cdd-Cd)(Cds-Cds) -95 Cds-Od(Cds-Cdd-Od)(Cds-Cds) Cds-Od(Cds-Cdd-Od)Cs -96 Cds-Od(Cds-Cdd-Cd)(Cds-Cds) Cds-Od(Cds-Cds)(Cds-Cds) -97 Cds-Od(Cds-Cdd)(Cds-Cdd) Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Cd) -98 Cds-Od(Cds-Cdd-Od)(Cds-Cdd-Od) Cds-Od(Cds-Cds)(Cds-Cds) -99 Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Od) Cds-Od(Cds-Cdd-Od)(Cds-Cds) -100 Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cds-Od(Cds-Cds)(Cds-Cds) -101 Cds-OdCtCs Cds-Od(Cds-Cds)Cs -102 Cds-OdCtCds Cds-OdCt(Cds-Cds) -103 Cds-OdCt(Cds-Od) Cds-Od(Cds-Cds)(Cds-Od) -104 Cds-OdCt(Cds-Cd) Cds-OdCt(Cds-Cds) -105 Cds-OdCt(Cds-Cds) Cds-Od(Cds-Cds)(Cds-Cds) -106 Cds-OdCt(Cds-Cdd) Cds-OdCt(Cds-Cdd-Cd) -107 Cds-OdCt(Cds-Cdd-Od) Cds-Od(Cds-Cdd-Od)(Cds-Cds) -108 Cds-OdCt(Cds-Cdd-Cd) Cds-OdCt(Cds-Cds) -109 Cds-OdCtCt Cds-Od(Cds-Cds)(Cds-Cds) -110 Cds-OdCbCs Cds-Od(Cds-Cds)Cs -111 Cds-OdCbCds Cds-OdCb(Cds-Cds) -112 Cds-OdCb(Cds-Od) Cds-Od(Cds-Cds)(Cds-Od) -113 Cds-OdCb(Cds-Cd) Cds-OdCb(Cds-Cds) -114 Cds-OdCb(Cds-Cds) Cds-Od(Cds-Cds)(Cds-Cds) -115 Cds-OdCb(Cds-Cdd) Cds-OdCb(Cds-Cdd-Cd) -116 Cds-OdCb(Cds-Cdd-Od) Cds-Od(Cds-Cdd-Od)(Cds-Cds) -117 Cds-OdCb(Cds-Cdd-Cd) Cds-OdCb(Cds-Cds) -118 Cds-OdCbCt Cds-OdCt(Cds-Cds) -119 Cds-OdCbCb Cds-Od(Cds-Cds)(Cds-Cds) -120 Cds-CdHH Cds-CdsHH -121 Cds-CdsHH 6.26 27.61 5.1 6.36 7.51 8.5 10.07 11.27 13.19 Cd-HH BENSON -122 Cds-CddHH Cds-(Cdd-Cd)HH -123 Cds-(Cdd-Od)HH -11.34 57.47 12.08 13.91 15.40 16.64 18.61 20.10 22.47 {CCO/H2} RAMAN & GREEN JPCA. 2002 -124 Cds-(Cdd-Cd)HH Cds-CdsHH // Cd-CaHH -125 Cds-CdOsH Cds-CdsOsH -126 Cds-CdsOsH 2.03 6.2 4.75 6.46 7.64 8.35 9.1 9.56 10.46 "Cd-OH BOZZELLI Hf vin-oh RADOM + C/Cd/H, S&Cp LAY" -127 Cds-CddOsH Cds-(Cdd-Cd)OsH -128 Cds-(Cdd-Od)OsH 2.110 38.17 11.29 13.67 15.10 16.10 17.36 18.25 19.75 {CCO/O/H} RAMAN & GREEN JPCA. 2002 -129 Cds-(Cdd-Cd)OsH Cds-CdsOsH -130 Cds-CdOsOs Cds-CdsOsOs -131 Cds-CdsOsOs Cds-CdsCsCs -132 Cds-CddOsOs Cds-(Cdd-Cd)OsOs -133 Cds-(Cdd-Od)OsOs 2.403 13.42 11.56 15.58 17.69 18.67 18.78 18.40 18.01 {CCO/O2} RAMAN & GREEN JPCA. 2002 -134 Cds-(Cdd-Cd)OsOs Cds-CdsOsOs -135 Cds-CdCH Cds-CdsCsH -136 Cds-CdsCsH 8.59 7.97 4.16 5.03 5.81 6.5 7.65 8.45 9.62 Cd-CsH BENSON -137 Cds-CdsCdsH Cds-Cds(Cds-Cds)H -138 Cds-Cds(Cds-Od)H 6.32 6.38 4.46 5.79 6.75 7.42 8.35 9.11 10.09 "Cd-COH BOZZELLI lit rev Jul91 S,Cp Cd/Cd/H" -139 Cds-Cds(Cds-Cd)H Cds-Cds(Cds-Cds)H -140 Cds-Cds(Cds-Cds)H 6.78 6.38 4.46 5.79 6.75 7.42 8.35 8.99 9.98 Cd-CdH BENSON -141 Cds-Cds(Cds-Cdd)H Cds-Cds(Cds-Cdd-Cd)H -142 Cds-Cds(Cds-Cdd-Od)H Cds-Cds(Cds-Cds)H -143 Cds-Cds(Cds-Cdd-Cd)H Cds-Cds(Cds-Cds)H -144 Cds-CdsCtH 6.78 6.38 4.46 5.79 6.75 7.42 8.35 8.99 9.98 Cd-CtH BENSON -145 Cds-CdsCbH 6.78 6.38 4.46 5.79 6.75 7.42 8.35 8.99 9.98 Cd-CbH BENSON -146 Cds-CddCsH Cds-(Cdd-Cd)CsH -147 Cds-(Cdd-Od)CsH -4.947 40.04 10.31 11.72 12.94 13.98 15.71 16.95 18.78 {CCO/H/C} RAMAN & GREEN JPCA. 2002 -148 Cds-(Cdd-Cd)CsH Cds-CdsCsH -149 Cds-CddCdsH Cds-(Cdd-Cd)(Cds-Cds)H -150 Cds-(Cdd-Od)(Cds-Od)H Cds-(Cdd-Od)CsH -151 Cds-(Cdd-Od)(Cds-Cd)H Cds-(Cdd-Od)(Cds-Cds)H -152 Cds-(Cdd-Od)(Cds-Cds)H Cds-(Cdd-Od)CsH -153 Cds-(Cdd-Od)(Cds-Cdd)H Cds-(Cdd-Od)(Cds-Cdd-Cd)H -154 Cds-(Cdd-Od)(Cds-Cdd-Od)H -4.998 39.06 10.55 12.41 13.82 14.91 16.51 17.62 19.24 {CCO/H/CCO} RAMAN & GREEN JPCA. 2002 -155 Cds-(Cdd-Od)(Cds-Cdd-Cd)H Cds-(Cdd-Od)(Cds-Cds)H -156 Cds-(Cdd-Cd)(Cds-Od)H Cds-Cds(Cds-Od)H -157 Cds-(Cdd-Cd)(Cds-Cd)H Cds-(Cdd-Cd)(Cds-Cds)H -158 Cds-(Cdd-Cd)(Cds-Cds)H Cds-Cds(Cds-Cds)H -159 Cds-(Cdd-Cd)(Cds-Cdd)H Cds-(Cdd-Cd)(Cds-Cdd-Cd)H -160 Cds-(Cdd-Cd)(Cds-Cdd-Od)H Cds-Cds(Cds-Cdd-Od)H -161 Cds-(Cdd-Cd)(Cds-Cdd-Cd)H Cds-(Cdd-Cd)(Cds-Cds)H -162 Cds-CddCtH Cds-(Cdd-Cd)CtH -163 Cds-(Cdd-Od)CtH Cds-(Cdd-Od)(Cds-Cds)H -164 Cds-(Cdd-Cd)CtH Cds-CdsCtH -165 Cds-CddCbH Cds-(Cdd-Cd)CbH -166 Cds-(Cdd-Od)CbH Cds-(Cdd-Od)(Cds-Cds)H -167 Cds-(Cdd-Cd)CbH Cds-CdsCbH -168 Cds-CdCO Cds-CdsCsOs -169 Cds-CdsCsOs 3.03 -12.32 3.59 4.56 5.04 5.3 5.84 6.07 6.16 Cd-OCs BOZZELLI-RADOM vin-oh and del (ccoh-ccohc) -170 Cds-CdsCdsOs Cds-Cds(Cds-Cds)Os -171 Cds-Cds(Cds-Od)Os 5.13 -14.6 4.4 5.37 5.93 6.18 6.5 6.62 6.72 Cd-OCO adj BENSON for RADOM c*coh -172 Cds-Cds(Cds-Cd)Os Cds-Cds(Cds-Cds)Os -173 Cds-Cds(Cds-Cds)Os 1.5 -14.4 4.4 5.37 5.93 6.18 6.5 6.62 6.72 Cd-OCd jwb need calc -174 Cds-Cds(Cds-Cdd)Os Cds-Cds(Cds-Cdd-Cd)Os -175 Cds-Cds(Cds-Cdd-Od)Os Cds-Cds(Cds-Cds)Os -176 Cds-Cds(Cds-Cdd-Cd)Os Cds-Cds(Cds-Cds)Os -177 Cds-CdsCtOs Cds-Cds(Cds-Cds)Os -178 Cds-CdsCbOs 1.5 -14.4 4.4 5.37 5.93 6.18 6.5 6.62 6.72 Cd-OCb jwb need calc -179 Cds-CddCsOs Cds-(Cdd-Cd)CsOs -180 Cds-(Cdd-Od)CsOs 3.273 18.58 10.91 12.65 13.59 14.22 15.00 15.48 16.28 {CCO/O/C} RAMAN & GREEN JPCA. 2002 -181 Cds-(Cdd-Cd)CsOs Cds-CdsCsOs -182 Cds-CddCdsOs Cds-(Cdd-Cd)(Cds-Cds)Os -183 Cds-(Cdd-Od)(Cds-Od)Os Cds-(Cdd-Od)CsOs -184 Cds-(Cdd-Od)(Cds-Cd)Os Cds-(Cdd-Od)(Cds-Cds)Os -185 Cds-(Cdd-Od)(Cds-Cds)Os Cds-(Cdd-Od)CsOs -186 Cds-(Cdd-Od)(Cds-Cdd)Os Cds-(Cdd-Od)(Cds-Cdd-Cd)Os -187 Cds-(Cdd-Od)(Cds-Cdd-Od)Os 1.607 17.73 11.01 12.97 14.17 14.97 15.80 16.26 16.88 {CCO/O/CCO} RAMAN & GREEN JPCA. 2002 -188 Cds-(Cdd-Od)(Cds-Cdd-Cd)Os Cds-(Cdd-Od)(Cds-Cds)Os -189 Cds-(Cdd-Cd)(Cds-Cd)Os Cds-(Cdd-Cd)(Cds-Cds)Os -190 Cds-(Cdd-Cd)(Cds-Cds)Os Cds-Cds(Cds-Cds)Os -191 Cds-(Cdd-Cd)(Cds-Cdd)Os Cds-(Cdd-Cd)(Cds-Cdd-Cd)Os -192 Cds-(Cdd-Cd)(Cds-Cdd-Od)Os Cds-Cds(Cds-Cdd-Od)Os -193 Cds-(Cdd-Cd)(Cds-Cdd-Cd)Os Cds-(Cdd-Cd)(Cds-Cds)Os -194 Cds-CddCtOs Cds-(Cdd-Cd)CtOs -195 Cds-(Cdd-Od)CtOs Cds-(Cdd-Od)(Cds-Cds)Os -196 Cds-(Cdd-Cd)CtOs Cds-CdsCtOs -197 Cds-CddCbOs Cds-(Cdd-Cd)CbOs -198 Cds-(Cdd-Od)CbOs Cds-(Cdd-Od)(Cds-Cds)Os -199 Cds-(Cdd-Cd)CbOs Cds-CdsCbOs -200 Cds-CdCC Cds-CdsCsCs -201 Cds-CdsCsCs 10.34 -12.7 4.1 4.61 4.99 5.26 5.8 6.08 6.36 Cd-CsCs BENSON -202 Cds-CdsCdsCs Cds-Cds(Cds-Cds)Cs -203 Cds-Cds(Cds-Od)Cs 7.50 -14.6 4.4 5.37 5.93 6.18 6.5 6.62 6.72 "Cd-COCs BENSON Hf, Cd/C/Cd =3D S,Cp" -204 Cds-Cds(Cds-Cd)Cs Cds-Cds(Cds-Cds)Cs -205 Cds-Cds(Cds-Cds)Cs 8.88 -14.6 4.4 5.37 5.93 6.18 6.5 6.62 6.72 Cd-CdCs BENSON -206 Cds-Cds(Cds-Cdd)Cs Cds-Cds(Cds-Cdd-Cd)Cs -207 Cds-Cds(Cds-Cdd-Od)Cs Cds-Cds(Cds-Cds)Cs -208 Cds-Cds(Cds-Cdd-Cd)Cs Cds-Cds(Cds-Cds)Cs -209 Cds-CdsCdsCds Cds-Cds(Cds-Cds)(Cds-Cds) -210 Cds-Cds(Cds-Od)(Cds-Od) Cds-CdsCsCs -211 Cds-Cds(Cds-Od)(Cds-Cd) Cds-Cds(Cds-Od)(Cds-Cds) -212 Cds-Cds(Cds-Od)(Cds-Cds) 4.60 -16.5 4.7 6.13 6.87 7.1 7.2 7.16 7.06 Cd-COCd from CD/CD2/ jwb est 6/97 -213 Cds-Cds(Cds-Od)(Cds-Cdd) Cds-Cds(Cds-Od)(Cds-Cdd-Cd) -214 Cds-Cds(Cds-Od)(Cds-Cdd-Od) Cds-Cds(Cds-Cdd-Od)Cs -215 Cds-Cds(Cds-Od)(Cds-Cdd-Cd) Cds-Cds(Cds-Od)(Cds-Cds) -216 Cds-Cds(Cds-Cd)(Cds-Cd) Cds-Cds(Cds-Cds)(Cds-Cds) -217 Cds-Cds(Cds-Cds)(Cds-Cds) 4.60 -15.67 1.9 2.69 3.5 4.28 5.57 6.21 7.37 "Cd-CdCd Hf=3D est S,Cp mopac nov99" -218 Cds-Cds(Cds-Cds)(Cds-Cdd) Cds-Cds(Cds-Cds)(Cds-Cdd-Cd) -219 Cds-Cds(Cds-Cds)(Cds-Cdd-Od) Cds-Cds(Cds-Cdd-Od)Cs -220 Cds-Cds(Cds-Cds)(Cds-Cdd-Cd) Cds-Cds(Cds-Cds)(Cds-Cds) -221 Cds-Cds(Cds-Cdd)(Cds-Cdd) Cds-Cds(Cds-Cdd-Cd)(Cds-Cdd-Cd) -222 Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Od) Cds-Cds(Cds-Cds)(Cds-Cds) -223 Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Cd) Cds-Cds(Cds-Cds)(Cds-Cdd-Od) -224 Cds-Cds(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cds-Cds(Cds-Cds)(Cds-Cdd-Cd) -225 Cds-CdsCtCs 8.11 -13.02 3.5 3.88 4.88 4.18 4.86 5.4 6.01 Cd-CtCs RAMAN and GREEN submitted 2002 -226 Cds-CdsCtCds Cds-Cds(Cds-Cds)Ct -227 Cds-CdsCt(Cds-Od) Cds-Cds(Cds-Od)(Cds-Cds) -228 Cds-CdsCt(Cds-Cd) Cds-Cds(Cds-Cds)Ct -229 Cds-Cds(Cds-Cds)Ct 7.54 -14.38 3.94 5.01 6.26 5.57 5.95 6.22 6.48 Cd-CtCd RAMAN and GREEN submitted 2002 -230 Cds-Cds(Cds-Cdd)Ct Cds-Cds(Cds-Cdd-Cd)Ct -231 Cds-Cds(Cds-Cdd-Od)Ct Cds-Cds(Cds-Cds)(Cds-Cdd-Od) -232 Cds-Cds(Cds-Cdd-Cd)Ct Cds-Cds(Cds-Cds)Ct -233 Cds-CdsCtCt 8.81 -13.42 3.36 3.7 5.37 3.71 4.49 5.21 5.98 Cd-CtCt RAMAN and GREEN submitted 2002 -234 Cds-CdsCbCs 8.64 -14.6 4.4 5.37 5.93 6.18 6.5 6.62 6.72 Cd-CbCs BENSON -235 Cds-CdsCbCds Cds-Cds(Cds-Cds)Cb -236 Cds-CdsCb(Cds-Od) Cds-Cds(Cds-Od)(Cds-Cds) -237 Cds-Cds(Cds-Cd)Cb Cds-Cds(Cds-Cds)Cb -238 Cds-Cds(Cds-Cds)Cb 7.18 -16.5 4.7 6.13 6.87 7.1 7.2 7.16 7.06 Cd-CbCd BOZZELLI =3D Cd/Cs/Cb + (Cd/Cs/Cd - Cd/Cs/Cs) -239 Cds-Cds(Cds-Cdd)Cb Cds-Cds(Cds-Cdd-Cd)Cb -240 Cds-Cds(Cds-Cdd-Od)Cb Cds-Cds(Cds-Cds)(Cds-Cdd-Od) -241 Cds-Cds(Cds-Cdd-Cd)Cb Cds-Cds(Cds-Cds)Cb -242 Cds-CdsCbCt 6.70 -17.04 2.22 3.14 4.54 4.11 5.06 5.79 6.71 "Cd-CbCt Hf=3D est S,Cp mopac nov99" -243 Cds-CdsCbCb 8.00 -16.5 4.7 6.13 6.87 7.1 7.2 7.16 7.06 Cd-CbCb BOZZELLI =3D Cd/Cs/Cb + (Cd/Cs/Cb - Cd/Cs/Cs) -244 Cds-CddCsCs Cds-(Cdd-Cd)CsCs -245 Cds-(Cdd-Od)CsCs -1.644 20.02 9.82 10.74 11.53 13.22 13.46 14.28 15.35 {CCO/C2} RAMAN & GREEN JPCA. 2002 -246 Cds-(Cdd-Cd)CsCs Cds-CdsCsCs -247 Cds-CddCdsCs Cds-(Cdd-Cd)(Cds-Cds)Cs -248 Cds-(Cdd-Od)(Cds-Od)Cs Cds-(Cdd-Od)CsCs -249 Cds-(Cdd-Od)(Cds-Cd)Cs Cds-(Cdd-Od)(Cds-Cds)Cs -250 Cds-(Cdd-Od)(Cds-Cds)Cs Cds-(Cdd-Od)CsCs -251 Cds-(Cdd-Od)(Cds-Cdd)Cs Cds-(Cdd-Od)(Cds-Cdd-Cd)Cs -252 Cds-(Cdd-Od)(Cds-Cdd-Od)Cs -2.070 19.65 10.10 11.24 12.12 12.84 14.00 14.75 15.72 {CCO/C/CCO} RAMAN & GREEN JPCA. 2002 -253 Cds-(Cdd-Od)(Cds-Cdd-Cd)Cs Cds-(Cdd-Od)(Cds-Cds)Cs -254 Cds-(Cdd-Cd)(Cds-Cd)Cs Cds-(Cdd-Cd)(Cds-Cds)Cs -255 Cds-(Cdd-Cd)(Cds-Cds)Cs Cds-Cds(Cds-Cds)Cs -256 Cds-(Cdd-Cd)(Cds-Cdd)Cs Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cs -257 Cds-(Cdd-Cd)(Cds-Cdd-Od)Cs Cds-Cds(Cds-Cdd-Od)Cs -258 Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cs Cds-(Cdd-Cd)(Cds-Cds)Cs -259 Cds-CddCdsCds Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) -260 Cds-(Cdd-Od)(Cds-Od)(Cds-Od) Cds-(Cdd-Od)CsCs -261 Cds-(Cdd-Od)(Cds-Cd)(Cds-Od) Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) -262 Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) Cds-(Cdd-Od)(Cds-Od)Cs -263 Cds-(Cdd-Od)(Cds-Cdd)(Cds-Od) Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Od) -264 Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Od) Cds-(Cdd-Od)(Cds-Cdd-Od)Cs -265 Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Od) Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) -266 Cds-(Cdd-Od)(Cds-Cd)(Cds-Cd) Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -267 Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) Cds-(Cdd-Od)CsCs -268 Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cds) Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cds) -269 Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) Cds-(Cdd-Od)(Cds-Cdd-Od)Cs -270 Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cds) Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -271 Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cdd) Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -272 Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -273 Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) -274 Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -275 Cds-(Cdd-Cd)(Cds-Od)(Cds-Od) Cds-Cds(Cds-Od)(Cds-Od) -276 Cds-(Cdd-Cd)(Cds-Od)(Cds-Cd) Cds-(Cdd-Cd)(Cds-Od)(Cds-Cds) -277 Cds-(Cdd-Cd)(Cds-Od)(Cds-Cds) Cds-Cds(Cds-Od)(Cds-Cds) -278 Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd) Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Cd) -279 Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Od) Cds-Cds(Cds-Od)(Cds-Cdd-Od) -280 Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Cd) Cds-(Cdd-Cd)(Cds-Od)(Cds-Cds) -281 Cds-(Cdd-Cd)(Cds-Cd)(Cds-Cd) Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) -282 Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) Cds-Cds(Cds-Cds)(Cds-Cds) -283 Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cds) Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cds) -284 Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cds) Cds-Cds(Cds-Cds)(Cds-Cdd-Od) -285 Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cds) Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) -286 Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cdd) Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -287 Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Od) Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Od) -288 Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cds) -289 Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) -290 Cds-CddCtCs Cds-(Cdd-Cd)CtCs -291 Cds-(Cdd-Od)CtCs Cds-(Cdd-Od)(Cds-Cds)Cs -292 Cds-(Cdd-Cd)CtCs Cds-CdsCtCs -293 Cds-CddCtCds Cds-(Cdd-Cd)(Cds-Cds)Ct -294 Cds-(Cdd-Od)(Cds-Od)Ct Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) -295 Cds-(Cdd-Od)(Cds-Cd)Ct Cds-(Cdd-Od)(Cds-Cds)Ct -296 Cds-(Cdd-Od)(Cds-Cds)Ct Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -297 Cds-(Cdd-Od)(Cds-Cdd)Ct Cds-(Cdd-Od)(Cds-Cdd-Cd)Ct -298 Cds-(Cdd-Od)(Cds-Cdd-Od)Ct Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) -299 Cds-(Cdd-Od)(Cds-Cdd-Cd)Ct Cds-(Cdd-Od)(Cds-Cds)Ct -300 Cds-(Cdd-Cd)(Cds-Cd)Ct Cds-(Cdd-Cd)(Cds-Cds)Ct -301 Cds-(Cdd-Cd)(Cds-Cds)Ct Cds-Cds(Cds-Cds)Ct -302 Cds-(Cdd-Cd)(Cds-Cdd)Ct Cds-(Cdd-Cd)(Cds-Cdd-Cd)Ct -303 Cds-(Cdd-Cd)(Cds-Cdd-Od)Ct Cds-Cds(Cds-Cdd-Od)Ct -304 Cds-(Cdd-Cd)(Cds-Cdd-Cd)Ct Cds-(Cdd-Cd)(Cds-Cds)Ct -305 Cds-CddCtCt Cds-(Cdd-Cd)CtCt -306 Cds-(Cdd-Od)CtCt Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -307 Cds-(Cdd-Cd)CtCt Cds-CdsCtCt -308 Cds-CddCbCs Cds-(Cdd-Cd)CbCs -309 Cds-(Cdd-Od)CbCs Cds-(Cdd-Od)(Cds-Cds)Cs -310 Cds-(Cdd-Cd)CbCs Cds-CdsCbCs -311 Cds-CddCbCds Cds-(Cdd-Cd)(Cds-Cds)Cb -312 Cds-(Cdd-Od)(Cds-Od)Cb Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) -313 Cds-(Cdd-Od)(Cds-Cd)Cb Cds-(Cdd-Od)(Cds-Cds)Cb -314 Cds-(Cdd-Od)(Cds-Cds)Cb Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -315 Cds-(Cdd-Od)(Cds-Cdd)Cb Cds-(Cdd-Od)(Cds-Cdd-Cd)Cb -316 Cds-(Cdd-Od)(Cds-Cdd-Od)Cb Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) -317 Cds-(Cdd-Od)(Cds-Cdd-Cd)Cb Cds-(Cdd-Od)(Cds-Cds)Cb -318 Cds-(Cdd-Cd)(Cds-Cd)Cb Cds-(Cdd-Cd)(Cds-Cds)Cb -319 Cds-(Cdd-Cd)(Cds-Cds)Cb Cds-Cds(Cds-Cds)Cb -320 Cds-(Cdd-Cd)(Cds-Cdd)Cb Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cb -321 Cds-(Cdd-Cd)(Cds-Cdd-Od)Cb Cds-Cds(Cds-Cdd-Od)Cb -322 Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cb Cds-(Cdd-Cd)(Cds-Cds)Cb -323 Cds-CddCbCt Cds-(Cdd-Cd)CbCt -324 Cds-(Cdd-Od)CbCt Cds-(Cdd-Od)(Cds-Cds)Ct -325 Cds-(Cdd-Cd)CbCt Cds-CdsCbCt -326 Cds-CddCbCb Cds-(Cdd-Cd)CbCb -327 Cds-(Cdd-Od)CbCb Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) -328 Cds-(Cdd-Cd)CbCb Cds-CdsCbCb -329 Cs Cs-CsCsCsCs -330 Cs-HHHH -17.90 44.47 8.43 9.84 11.14 12.41 15.00 17.25 20.63 CHEMKIN DATABASE -331 Cs-CHHH Cs-CsHHH -332 Cs-CsHHH -10.20 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 Cs-CsHHH BENSON -333 Cs-CdsHHH Cs-(Cds-Cds)HHH -334 Cs-(Cds-Od)HHH -10.08 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 Cs-COHHH BENSON: Cp1500 =3D Cp1000*(Cp1500/Cp1000: C/Cd/H3) -335 Cs-(Cds-Cd)HHH Cs-(Cds-Cds)HHH -336 Cs-(Cds-Cds)HHH -10.20 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 Cs-CdHHH BENSON (Assigned Cs-CsHHH) -337 Cs-(Cds-Cdd)HHH Cs-(Cds-Cdd-Cd)HHH -338 Cs-(Cds-Cdd-Od)HHH -10.08 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 "{CCO/C/H3} RAMAN & GREEN JPCA. 2002, assigened same value as Cs-CsHHH" -339 Cs-(Cds-Cdd-Cd)HHH Cs-(Cds-Cds)HHH -340 Cs-CtHHH -10.20 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 Cs-CtHHH BENSON (Assigned Cs-CsHHH) -341 Cs-CbHHH -10.20 30.41 6.19 7.84 9.4 10.79 13.02 14.77 17.58 Cs-CbHHH BENSON (Assigned Cs-CsHHH) -342 Cs-OsHHH -10.10 30.41 6.19 7.84 9.4 10.79 13.03 14.77 17.58 Cs-OHHH BENSON -343 Cs-OsOsHH -15.23 9.42 5.5 6.95 8.25 9.35 11.07 12.34 12.34 "Cs-OOHH PEDLEY Hf, BOZZELLI C/C2/H2 !!!WARNING! Cp1500 value taken as Cp1000" -344 Cs-OsOsOsH -21.23 -12.07 4.54 6 7.17 8.05 9.31 10.05 10.05 "Cs-OOOH BOZZELLI del C/C2/O - C/C3/O, series !!!WARNING! Cp1500 value taken as Cp1000" -345 Cs-CCHH Cs-CsCsHH -346 Cs-CsCsHH -4.93 9.42 5.5 6.95 8.25 9.35 11.07 12.34 14.25 Cs-CsCsHH BENSON -347 Cs-CdsCsHH Cs-(Cds-Cds)CsHH -348 Cs-(Cds-Od)CsHH -5.2 9.6 6.2 7.7 8.7 9.5 11.1 12.2 14.07 Cs-COCsHH BENSON Cp1500 =3D Cp1000*(Cp1500/Cp1000: C/C/Cd/H2) -349 Cs-(Cds-Cd)CsHH Cs-(Cds-Cds)CsHH -350 Cs-(Cds-Cds)CsHH -4.76 9.8 5.12 6.86 8.32 9.49 11.22 12.48 14.36 Cs-CdCsHH BENSON -351 Cs-(Cds-Cdd)CsHH Cs-(Cds-Cdd-Cd)CsHH -352 Cs-(Cds-Cdd-Od)CsHH -5.723 9.37 4.96 6.35 7.61 8.54 9.65 10.35 11.19 {C/C/H2/CCO} RAMAN & GREEN JPCA. 2002 -353 Cs-(Cds-Cdd-Cd)CsHH Cs-(Cds-Cds)CsHH -354 Cs-CdsCdsHH Cs-(Cds-Cds)(Cds-Cds)HH -355 Cs-(Cds-Od)(Cds-Od)HH -7.6 5.82 5.03 7.44 9.16 10.49 12.17 13.57 13.57 "Cs-COCOHH BENSON Hf, Mopac =3D S,Cp nov99 !!!WARNING! Cp1500 value taken as Cp1000" -356 Cs-(Cds-Od)(Cds-Cd)HH Cs-(Cds-Od)(Cds-Cds)HH -357 Cs-(Cds-Od)(Cds-Cds)HH -3.8 6.31 4.75 7.11 8.92 10.32 12.16 13.61 13.61 "Cs-COCdHH BENSON Hf, Mopac =3D S,Cp nov99 !!!WARNING! Cp1500 value taken as Cp1000" -358 Cs-(Cds-Od)(Cds-Cdd)HH Cs-(Cds-Od)(Cds-Cdd-Cd)HH -359 Cs-(Cds-Od)(Cds-Cdd-Od)HH Cs-(Cds-Cdd-Od)CsHH -360 Cs-(Cds-Od)(Cds-Cdd-Cd)HH Cs-(Cds-Od)(Cds-Cds)HH -361 Cs-(Cds-Cd)(Cds-Cd)HH Cs-(Cds-Cds)(Cds-Cds)HH -362 Cs-(Cds-Cds)(Cds-Cds)HH -4.29 10.2 4.7 6.8 8.4 9.6 11.3 12.6 14.4 Cs-CdCdHH BENSON -363 Cs-(Cds-Cdd)(Cds-Cds)HH Cs-(Cds-Cdd-Cd)(Cds-Cds)HH -364 Cs-(Cds-Cdd-Od)(Cds-Cds)HH Cs-(Cds-Cdd-Od)CsHH -365 Cs-(Cds-Cdd-Cd)(Cds-Cds)HH Cs-(Cds-Cds)(Cds-Cds)HH -366 Cs-(Cds-Cdd)(Cds-Cdd)HH Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)HH -367 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)HH -5.301 7.18 6.68 8.28 9.58 10.61 12.04 13.13 14.87 {C/H2/CCO2} RAMAN & GREEN JPCA. 2002 -368 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)HH Cs-(Cds-Cdd-Od)(Cds-Cds)HH -369 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)HH Cs-(Cds-Cds)(Cds-Cds)HH -370 Cs-CtCsHH -4.73 10.3 4.95 6.56 7.93 9.08 10.86 12.19 14.2 Cs-CtCsHH BENSON -371 Cs-CtCdsHH Cs-(Cds-Cds)CtHH -372 Cs-(Cds-Od)CtHH -5.4 7.68 3.85 6.22 8.01 9.43 11.29 12.76 12.76 "Cs-COCtHH BENSON Hf, Mopac =3D S,Cp nov99 !!!WARNING! Cp1500 value taken as Cp1000" -373 Cs-(Cds-Cd)CtHH Cs-(Cds-Cds)CtHH -374 Cs-(Cds-Cds)CtHH -3.49 9.31 4.4 6.33 7.9 9.16 10.93 12.29 13.43 Cs-CtCdHH RAMAN and GREEN submitted 2002 -375 Cs-(Cds-Cdd)CtHH Cs-(Cds-Cdd-Cd)CtHH -376 Cs-(Cds-Cdd-Od)CtHH Cs-(Cds-Cdd-Od)(Cds-Cds)HH -377 Cs-(Cds-Cdd-Cd)CtHH Cs-(Cds-Cds)CtHH -378 Cs-CtCtHH -0.82 10.04 4 6.07 7.71 9.03 10.88 12.3 12.48 Cs-CtCtHH RAMAN and GREEN submitted 2002 -379 Cs-CbCsHH -4.86 9.34 5.84 7.61 8.98 10.01 11.49 12.54 13.76 Cs-CbCsHH BENSON -380 Cs-CbCdsHH Cs-(Cds-Cds)CbHH -381 Cs-(Cds-Od)CbHH -5.4 5.89 5.38 7.59 9.25 10.51 12.19 13.52 13.52 "Cs-COCbHH BENSON Hf, Mopac =3D S,Cp nov99 !!!WARNING! Cp1500 value taken as Cp1000" -382 Cs-(Cds-Cd)CbHH Cs-(Cds-Cds)CbHH -383 Cs-(Cds-Cds)CbHH -4.29 2 4.51 6.76 8.61 10.01 11.97 13.4 15.47 "Cs-CbCdHH Hf=Stein S,Cp=3D mopac nov99" -384 Cs-(Cds-Cdd)CbHH Cs-(Cds-Cdd-Cd)CbHH -385 Cs-(Cds-Cdd-Od)CbHH Cs-(Cds-Cdd-Od)(Cds-Cds)HH -386 Cs-(Cds-Cdd-Cd)CbHH Cs-(Cds-Cds)CbHH -387 Cs-CbCtHH -4.29 9.84 4.28 6.43 8.16 9.5 11.36 12.74 13.7 "Cs-CbCtHH Hf=Stein S,Cp=3D mopac nov99" -388 Cs-CbCbHH -4.29 8.07 5.67 7.7 9.31 10.52 12.21 13.47 15.11 "Cs-CbCbHH Hf=3Dbsn/Cs/Cd2/H2 S,Cp=3D mopac nov99" -389 Cs-CCCH Cs-CsCsCsH -390 Cs-CsCsCsH -1.9 -12.07 4.54 6 7.17 8.05 9.31 10.05 11.17 Cs-CsCsCsH BENSON -391 Cs-CdsCsCsH Cs-(Cds-Cds)CsCsH -392 Cs-(Cds-Od)CsCsH -1.7 -11.7 4.16 5.91 7.34 8.19 9.46 10.19 10.19 "Cs-COCsCsH BOZZELLI - BENSON Hf, S, -C/C2Cd/H =3D Cp !!!WARNING! Cp1500 value taken as Cp1000" -393 Cs-(Cds-Cd)CsCsH Cs-(Cds-Cds)CsCsH -394 Cs-(Cds-Cds)CsCsH -1.48 -11.69 4.16 5.91 7.34 8.19 9.46 10.19 11.28 Cs-CdCsCsH BENSON -395 Cs-(Cds-Cdd)CsCsH Cs-(Cds-Cdd-Cd)CsCsH -396 Cs-(Cds-Cdd-Od)CsCsH -3.634 -12.31 4.96 6.35 7.61 8.54 9.65 10.35 11.19 {C/C/H2/CCO} RAMAN & GREEN JPCA. 2002 -397 Cs-(Cds-Cdd-Cd)CsCsH -1.48 -11.69 4.16 5.91 7.34 8.19 9.46 10.19 11.28 Cs-CdCsCsH BENSON -398 Cs-CtCsCsH -1.72 -11.19 3.99 5.61 6.85 7.78 9.1 9.9 11.12 Cs-CtCsCsH BENSON -399 Cs-CbCsCsH -0.98 -12.15 4.88 6.66 7.9 8.75 9.73 10.25 10.68 Cs-CbCsCsH BENSON -400 Cs-CdsCdsCsH Cs-(Cds-Cds)(Cds-Cds)CsH -401 Cs-(Cds-Od)(Cds-Od)CsH Cs-CsCsCsH -402 Cs-(Cds-Od)(Cds-Cd)CsH Cs-(Cds-Od)(Cds-Cds)CsH -403 Cs-(Cds-Od)(Cds-Cds)CsH Cs-(Cds-Od)CsCsH -404 Cs-(Cds-Od)(Cds-Cdd)CsH Cs-(Cds-Od)(Cds-Cdd-Cd)CsH -405 Cs-(Cds-Od)(Cds-Cdd-Od)CsH Cs-(Cds-Cdd-Od)CsCsH -406 Cs-(Cds-Od)(Cds-Cdd-Cd)CsH Cs-(Cds-Od)(Cds-Cds)CsH -407 Cs-(Cds-Cd)(Cds-Cd)CsH Cs-(Cds-Cds)(Cds-Cds)CsH -408 Cs-(Cds-Cds)(Cds-Cds)CsH -1.1 -13.03 5.28 6.54 7.67 8.48 9.45 10.18 11.24 Cs-CdCdCsH RAMAN and GREEN submitted 2002 -409 Cs-(Cds-Cdd)(Cds-Cds)CsH Cs-(Cds-Cdd-Cd)(Cds-Cds)CsH -410 Cs-(Cds-Cdd-Od)(Cds-Cds)CsH Cs-(Cds-Cdd-Od)CsCsH -411 Cs-(Cds-Cdd-Cd)(Cds-Cds)CsH Cs-(Cds-Cds)(Cds-Cds)CsH -412 Cs-(Cds-Cdd)(Cds-Cdd)CsH Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsH -413 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsH -3.714 -14.12 6.33 7.96 9.13 9.91 10.7 11.19 11.81 {C/C/H/CCO2} RAMAN & GREEN JPCA. 2002 -414 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsH Cs-(Cds-Cdd-Od)(Cds-Cds)CsH -415 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsH Cs-(Cds-Cds)(Cds-Cds)CsH -416 Cs-CtCdsCsH Cs-(Cds-Cds)CtCsH -417 Cs-(Cds-Od)CtCsH Cs-(Cds-Od)(Cds-Cds)CsH -418 Cs-(Cds-Cd)CtCsH Cs-(Cds-Cds)CtCsH -419 Cs-(Cds-Cds)CtCsH -6.9 -13.48 5.55 7.21 8.39 9.17 10 10.61 10.51 Cs-CtCdCsH RAMAN and GREEN submitted 2002 -420 Cs-(Cds-Cdd)CtCsH Cs-(Cds-Cdd-Cd)CtCsH -421 Cs-(Cds-Cdd-Od)CtCsH Cs-(Cds-Cdd-Od)(Cds-Cds)CsH -422 Cs-(Cds-Cdd-Cd)CtCsH Cs-(Cds-Cds)CtCsH -423 Cs-CbCdsCsH Cs-(Cds-Cds)CbCsH -424 Cs-(Cds-Od)CbCsH Cs-(Cds-Od)(Cds-Cds)CsH -425 Cs-(Cds-Cd)CbCsH Cs-(Cds-Cds)CbCsH -426 Cs-(Cds-Cds)CbCsH -1.56 -11.77 4.5 6.57 8.07 8.89 9.88 10.39 10.79 Cs-CbCdCsH BOZZELLI =3D Cs/Cs2/Cd/H + (Cs/Cs2/Cb/H - Cs/Cs3/H) -427 Cs-(Cds-Cdd)CbCsH Cs-(Cds-Cdd-Cd)CbCsH -428 Cs-(Cds-Cdd-Od)CbCsH Cs-(Cds-Cdd-Od)(Cds-Cds)CsH -429 Cs-(Cds-Cdd-Cd)CbCsH Cs-(Cds-Cds)CbCsH -430 Cs-CtCtCsH 1.72 -11.61 3.27 5.32 6.9 8.03 9.33 10.21 9.38 Cs-CtCtCsH RAMAN and GREEN submitted 2002 -431 Cs-CbCtCsH -1.55 -11.65 4.33 6.27 7.58 8.48 9.52 10.1 10.63 Cs-CbCtCsH BOZZELLI =3D Cs/Cs2/Cb/H + (Cs/Cs2/Ct/H - Cs/Cs3/H) -432 Cs-CbCbCsH -1.06 -12.23 5.22 7.32 8.63 8.45 10.15 10.45 10.89 Cs-CbCbCsCs BOZZELLI =3D Cs/Cs2/Cb/H + (Cs/Cs2/Cb/H - Cs/Cs3/H) -433 Cs-CdsCdsCdsH Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -434 Cs-(Cds-Od)(Cds-Od)(Cds-Od)H Cs-CsCsCsH -435 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)H Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H -436 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H Cs-(Cds-Od)(Cds-Od)CsH -437 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)H Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)H -438 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)H Cs-(Cds-Cdd-Od)CsCsH -439 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)H Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H -440 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)H Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -441 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H Cs-(Cds-Od)CsCsH -442 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)H Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)H -443 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H Cs-(Cds-Od)(Cds-Cdd-Od)CsH -444 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)H Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -445 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)H Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H -446 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsH -447 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H -448 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -449 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -450 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H 0.41 -11.82 4.51 5.96 7.13 7.98 9.06 9.9 11.23 Cs-CdCdCdH RAMAN and GREEN JPC 2002 -451 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)H -452 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H Cs-(Cds-Cdd-Od)CsCsH -453 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -454 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)H Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H -455 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsH -456 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -457 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -458 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)H Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H -459 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -460 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H -461 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -462 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -463 Cs-CtCdsCdsH Cs-(Cds-Cds)(Cds-Cds)CtH -464 Cs-(Cds-Od)(Cds-Od)CtH Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H -465 Cs-(Cds-Od)(Cds-Cd)CtH Cs-(Cds-Od)(Cds-Cds)CtH -466 Cs-(Cds-Od)(Cds-Cds)CtH Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -467 Cs-(Cds-Od)(Cds-Cdd)CtH Cs-(Cds-Od)(Cds-Cdd-Cd)CtH -468 Cs-(Cds-Od)(Cds-Cdd-Od)CtH Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H -469 Cs-(Cds-Od)(Cds-Cdd-Cd)CtH Cs-(Cds-Od)(Cds-Cds)CtH -470 Cs-(Cds-Cd)(Cds-Cd)CtH Cs-(Cds-Cds)(Cds-Cds)CtH -471 Cs-(Cds-Cds)(Cds-Cds)CtH 1.88 -13.75 6.68 7.85 8.62 9.16 9.81 10.42 10.49 Cs-CtCdCdH RAMAN and GREEN submitted 2002 -472 Cs-(Cds-Cdd)(Cds-Cds)CtH Cs-(Cds-Cdd-Cd)(Cds-Cds)CtH -473 Cs-(Cds-Cdd-Od)(Cds-Cds)CtH Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -474 Cs-(Cds-Cdd-Cd)(Cds-Cds)CtH Cs-(Cds-Cds)(Cds-Cds)CtH -475 Cs-(Cds-Cdd)(Cds-Cdd)CtH Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtH -476 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtH Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H -477 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtH Cs-(Cds-Cdd-Od)(Cds-Cds)CtH -478 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtH Cs-(Cds-Cds)(Cds-Cds)CtH -479 Cs-CbCdsCdsH Cs-(Cds-Cds)(Cds-Cds)CbH -480 Cs-(Cds-Od)(Cds-Od)CbH Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H -481 Cs-(Cds-Od)(Cds-Cd)CbH Cs-(Cds-Od)(Cds-Cds)CbH -482 Cs-(Cds-Od)(Cds-Cds)CbH Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -483 Cs-(Cds-Od)(Cds-Cdd)CbH Cs-(Cds-Od)(Cds-Cdd-Cd)CbH -484 Cs-(Cds-Od)(Cds-Cdd-Od)CbH Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H -485 Cs-(Cds-Od)(Cds-Cdd-Cd)CbH Cs-(Cds-Od)(Cds-Cds)CbH -486 Cs-(Cds-Cd)(Cds-Cd)CbH Cs-(Cds-Cds)(Cds-Cds)CbH -487 Cs-(Cds-Cds)(Cds-Cds)CbH -1.39 -11.39 4.12 6.51 8.24 9 10.03 10.53 10.89 Cs-CbCdCdH BOZZELLI =3D Cs/Cs/Cd2/H + (Cs/Cs2/Cb/H - Cs/Cs3/H) -488 Cs-(Cds-Cdd)(Cds-Cds)CbH Cs-(Cds-Cdd-Cd)(Cds-Cds)CbH -489 Cs-(Cds-Cdd-Od)(Cds-Cds)CbH Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -490 Cs-(Cds-Cdd-Cd)(Cds-Cds)CbH Cs-(Cds-Cds)(Cds-Cds)CbH -491 Cs-(Cds-Cdd)(Cds-Cdd)CbH Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbH -492 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbH Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H -493 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbH Cs-(Cds-Cdd-Od)(Cds-Cds)CbH -494 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbH Cs-(Cds-Cds)(Cds-Cds)CbH -495 Cs-CtCtCdsH Cs-CtCt(Cds-Cds)H -496 Cs-CtCt(Cds-Od)H Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -497 Cs-CtCt(Cds-Cd)H Cs-CtCt(Cds-Cds)H -498 Cs-CtCt(Cds-Cds)H 4.73 -11.46 3.58 5.68 7.11 8.12 9.27 10.13 9.44 Cs-CtCtCdH RAMAN and GREEN submitted 2002 -499 Cs-CtCt(Cds-Cdd)H Cs-CtCt(Cds-Cdd-Cd)H -500 Cs-CtCt(Cds-Cdd-Od)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -501 Cs-CtCt(Cds-Cdd-Cd)H Cs-CtCt(Cds-Cds)H -502 Cs-CbCtCdsH Cs-CbCt(Cds-Cds)H -503 Cs-CbCt(Cds-Od)H Cs-(Cds-Od)(Cds-Cds)CtH -504 Cs-CbCt(Cds-Cd)H Cs-CbCt(Cds-Cds)H -505 Cs-CbCt(Cds-Cds)H Cs-(Cds-Cds)(Cds-Cds)CtH -506 Cs-CbCt(Cds-Cdd)H Cs-CbCt(Cds-Cdd-Cd)H -507 Cs-CbCt(Cds-Cdd-Od)H Cs-(Cds-Cdd-Od)(Cds-Cds)CtH -508 Cs-CbCt(Cds-Cdd-Cd)H Cs-CbCt(Cds-Cds)H -509 Cs-CbCbCdsH Cs-CbCb(Cds-Cds)H -510 Cs-CbCb(Cds-Od)H Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H -511 Cs-CbCb(Cds-Cds)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H -512 Cs-CbCb(Cds-Cdd)H Cs-CbCb(Cds-Cdd-Cd)H -513 Cs-CbCb(Cds-Cdd-Od)H Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H -514 Cs-CbCb(Cds-Cdd-Cd)H Cs-CbCb(Cds-Cds)H -515 Cs-CtCtCtH 10.11 -10.46 3.03 5.27 6.78 7.88 9.14 10.08 8.47 Cs-CtCtCtH RAMAN and GREEN submitted 2002 -516 Cs-CbCtCtH Cs-CtCt(Cds-Cds)H -517 Cs-CbCbCtH Cs-(Cds-Cds)(Cds-Cds)CtH -518 Cs-CbCbCbH -0.34 -12.31 5.56 7.98 9.36 10.15 10.57 10.65 9.7 Cs-CbCbCbH BOZZELLI =3D Cs/Cs/Cb2/H + (Cs/Cs2/Cb/H - Cs/Cs3/H) -519 Cs-CCCC Cs-CsCsCsCs -520 Cs-CsCsCsCs 0.5 -35.1 4.37 6.13 7.36 8.12 8.77 8.76 8.12 Cs-CsCsCsCs BENSON -521 Cs-CdsCsCsCs Cs-(Cds-Cds)CsCsCs -522 Cs-(Cds-Od)CsCsCs 1.4 -34.72 3.99 6.04 7.43 8.26 8.92 8.96 8.23 "Cs-COCsCsCs Hf BENSON S,Cp =3D C/Cd/C3" -523 Cs-(Cds-Cd)CsCsCs Cs-(Cds-Cds)CsCsCs -524 Cs-(Cds-Cds)CsCsCs 1.68 -34.72 3.99 6.04 7.43 8.26 8.92 8.96 8.23 Cs-CdCsCsCs BENSON -525 Cs-(Cds-Cdd)CsCsCs Cs-(Cds-Cdd-Cd)CsCsCs -526 Cs-(Cds-Cdd-Od)CsCsCs -2.896 -34.87 4.48 6.06 7.31 8.07 8.59 8.66 8.29 {C/C3/CCO} RAMAN & GREEN JPCA. 2002 -527 Cs-(Cds-Cdd-Cd)CsCsCs Cs-(Cds-Cds)CsCsCs -528 Cs-CtCsCsCs 2.81 -35.18 4.37 6.79 8.09 8.78 9.19 8.96 7.63 Cs-CtCsCsCs BENSON -529 Cs-CbCsCsCs 2.81 -35.18 4.37 6.79 8.09 8.78 9.19 8.96 7.63 Cs-CbCsCsCs BENSON -530 Cs-CdsCdsCsCs Cs-(Cds-Cds)(Cds-Cds)CsCs -531 Cs-(Cds-Od)(Cds-Od)CsCs Cs-CsCsCsCs -532 Cs-(Cds-Od)(Cds-Cd)CsCs Cs-(Cds-Od)(Cds-Cds)CsCs -533 Cs-(Cds-Od)(Cds-Cds)CsCs Cs-(Cds-Od)CsCsCs -534 Cs-(Cds-Od)(Cds-Cdd)CsCs Cs-(Cds-Od)(Cds-Cdd-Cd)CsCs -535 Cs-(Cds-Od)(Cds-Cdd-Od)CsCs Cs-(Cds-Cdd-Od)CsCsCs -536 Cs-(Cds-Od)(Cds-Cdd-Cd)CsCs Cs-(Cds-Od)(Cds-Cds)CsCs -537 Cs-(Cds-Cd)(Cds-Cd)CsCs Cs-(Cds-Cds)(Cds-Cds)CsCs -538 Cs-(Cds-Cds)(Cds-Cds)CsCs 1.68 -34.72 3.99 6.04 7.43 8.26 8.92 8.96 8.23 Cs-CdCdCsCs BENSON -539 Cs-(Cds-Cdd)(Cds-Cds)CsCs Cs-(Cds-Cdd-Cd)(Cds-Cds)CsCs -540 Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs Cs-(Cds-Cdd-Od)CsCsCs -541 Cs-(Cds-Cdd-Cd)(Cds-Cds)CsCs Cs-(Cds-Cds)(Cds-Cds)CsCs -542 Cs-(Cds-Cdd)(Cds-Cdd)CsCs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsCs -543 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs -2.987 -36.46 6.73 8.10 9.02 9.53 9.66 9.52 8.93 {C/C2/CCO2} RAMAN & GREEN JPCA. 2002 -544 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsCs Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs -545 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsCs Cs-(Cds-Cds)(Cds-Cds)CsCs -546 Cs-CtCdsCsCs Cs-(Cds-Cds)CtCsCs -547 Cs-(Cds-Od)CtCsCs Cs-(Cds-Od)(Cds-Cds)CsCs -548 Cs-(Cds-Cd)CtCsCs Cs-(Cds-Cds)CtCsCs -549 Cs-(Cds-Cds)CtCsCs 2.99 -34.8 3.99 6.7 8.16 8.92 9.34 9.16 7.14 Cs-CtCdCsCs BOZZELLI =3D Cs/Cs3/Cd + (Cs/Cs3/Ct - Cs/Cs4) -550 Cs-(Cds-Cdd)CtCsCs Cs-(Cds-Cdd-Cd)CtCsCs -551 Cs-(Cds-Cdd-Od)CtCsCs Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs -552 Cs-(Cds-Cdd-Cd)CtCsCs Cs-(Cds-Cds)CtCsCs -553 Cs-CbCdsCsCs Cs-(Cds-Cds)CbCsCs -554 Cs-(Cds-Od)CbCsCs Cs-(Cds-Od)(Cds-Cds)CsCs -555 Cs-(Cds-Cd)CbCsCs Cs-(Cds-Cds)CbCsCs -556 Cs-(Cds-Cds)CbCsCs 2.99 -34.8 3.99 6.7 8.16 8.92 9.34 9.16 7.14 Cs-CbCdCsCs BOZZELLI =3D Cs/Cs3/Cb + (Cs/Cs3/Cd - Cs/Cs4) -557 Cs-(Cds-Cdd)CbCsCs Cs-(Cds-Cdd-Cd)CbCsCs -558 Cs-(Cds-Cdd-Od)CbCsCs Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs -559 Cs-(Cds-Cdd-Cd)CbCsCs Cs-(Cds-Cds)CbCsCs -560 Cs-CtCtCsCs 1.16 -35.26 3.57 5.98 7.51 8.37 9 9.02 8.34 Cs-CtCtCsCs BOZZELLI =3D Cs/Cs3/Ct + (Cs/Cs3/Ct - Cs/Cs4) -561 Cs-CbCtCsCs 1.16 -35.26 3.57 5.98 7.51 8.37 9 9.02 8.34 Cs-CbCtCsCs BOZZELLI =3D Cs/Cs3/Cb + (Cs/Cs3/Ct - Cs/Cs4) -562 Cs-CbCbCsCs 1.16 -35.26 3.57 5.98 7.51 8.37 9 9.02 8.34 Cs-CbCbCsCs BENSON -563 Cs-CdsCdsCdsCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -564 Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cs Cs-CsCsCsCs -565 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs -566 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs Cs-(Cds-Od)(Cds-Od)CsCs -567 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cs Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cs -568 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cs Cs-(Cds-Cdd-Od)CsCsCs -569 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs -570 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -571 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs Cs-(Cds-Od)CsCsCs -572 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cs Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cs -573 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs Cs-(Cds-Od)(Cds-Cdd-Od)CsCs -574 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -575 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cs Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs -576 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs -577 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs -578 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs // Would have same value as Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -579 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -580 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs 2.54 -33.96 3.32 5.86 7.57 8.54 9.22 9.36 8.45 Cs-CdCdCdCs BOZZELLI =3D Cs/Cs2/Cd2 + (Cs/Cs3/Cd - Cs/Cs4) -581 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cs -582 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs Cs-(Cds-Cdd-Od)CsCsCs -583 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -584 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cs Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs -585 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs -586 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -587 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -588 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs -589 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cs -590 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -591 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -592 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -593 Cs-CtCdsCdsCs Cs-(Cds-Cds)(Cds-Cds)CtCs -594 Cs-(Cds-Od)(Cds-Od)CtCs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs -595 Cs-(Cds-Od)(Cds-Cd)CtCs Cs-(Cds-Od)(Cds-Cds)CtCs -596 Cs-(Cds-Od)(Cds-Cds)CtCs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -597 Cs-(Cds-Od)(Cds-Cdd)CtCs Cs-(Cds-Od)(Cds-Cdd-Cd)CtCs -598 Cs-(Cds-Od)(Cds-Cdd-Od)CtCs Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs -599 Cs-(Cds-Od)(Cds-Cdd-Cd)CtCs Cs-(Cds-Od)(Cds-Cds)CtCs -600 Cs-(Cds-Cd)(Cds-Cd)CtCs Cs-(Cds-Cds)(Cds-Cds)CtCs -601 Cs-(Cds-Cds)(Cds-Cds)CtCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -602 Cs-(Cds-Cdd)(Cds-Cds)CtCs Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCs -603 Cs-(Cds-Cdd-Od)(Cds-Cds)CtCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -604 Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCs Cs-(Cds-Cds)(Cds-Cds)CtCs -605 Cs-(Cds-Cdd)(Cds-Cdd)CtCs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCs -606 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCs Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -607 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCs Cs-(Cds-Cdd-Od)(Cds-Cds)CtCs -608 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCs Cs-(Cds-Cds)(Cds-Cds)CtCs -609 Cs-CbCdsCdsCs Cs-(Cds-Cds)(Cds-Cds)CbCs -610 Cs-(Cds-Od)(Cds-Od)CbCs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs -611 Cs-(Cds-Od)(Cds-Cd)CbCs Cs-(Cds-Od)(Cds-Cds)CbCs -612 Cs-(Cds-Od)(Cds-Cds)CbCs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -613 Cs-(Cds-Od)(Cds-Cdd)CbCs Cs-(Cds-Od)(Cds-Cdd-Cd)CbCs -614 Cs-(Cds-Od)(Cds-Cdd-Od)CbCs Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs -615 Cs-(Cds-Od)(Cds-Cdd-Cd)CbCs Cs-(Cds-Od)(Cds-Cds)CbCs -616 Cs-(Cds-Cd)(Cds-Cd)CbCs Cs-(Cds-Cds)(Cds-Cds)CbCs -617 Cs-(Cds-Cds)(Cds-Cds)CbCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs -618 Cs-(Cds-Cdd)(Cds-Cds)CbCs Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCs -619 Cs-(Cds-Cdd-Od)(Cds-Cds)CbCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -620 Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCs Cs-(Cds-Cds)(Cds-Cds)CbCs -621 Cs-(Cds-Cdd)(Cds-Cdd)CbCs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCs -622 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCs Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -623 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCs Cs-(Cds-Cdd-Od)(Cds-Cds)CbCs -624 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCs Cs-(Cds-Cds)(Cds-Cds)CbCs -625 Cs-CtCtCdsCs Cs-(Cds-Cds)CtCtCs -626 Cs-(Cds-Od)CtCtCs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -627 Cs-(Cds-Cd)CtCtCs Cs-(Cds-Cds)CtCtCs -628 Cs-(Cds-Cds)CtCtCs 5.10 -34.88 3.99 7.36 8.89 9.58 9.76 9.16 7.25 Cs-CtCtCdCs BOZZELLI =3D Cs/Cd2/Cs2 + (Cs/Cs3/Ct - Cs/Cs4) -629 Cs-(Cds-Cdd)CtCtCs Cs-(Cds-Cdd-Cd)CtCtCs -630 Cs-(Cds-Cdd-Od)CtCtCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -631 Cs-(Cds-Cdd-Cd)CtCtCs Cs-(Cds-Cds)CtCtCs -632 Cs-CbCtCdsCs Cs-(Cds-Cds)CbCtCs -633 Cs-(Cds-Od)CbCtCs Cs-(Cds-Od)(Cds-Cds)CtCs -634 Cs-(Cds-Cd)CbCtCs Cs-(Cds-Cds)CbCtCs -635 Cs-(Cds-Cds)CbCtCs 5.10 -34.88 3.99 7.36 8.89 9.58 9.76 9.16 7.25 Cs-CbCtCdCs BOZZELLI =3D Cs/Cb/Cd/Cs2 + (Cs/Cs3/Ct - Cs/Cs4) -636 Cs-(Cds-Cdd)CbCtCs Cs-(Cds-Cdd-Cd)CbCtCs -637 Cs-(Cds-Cdd-Od)CbCtCs Cs-(Cds-Cdd-Od)(Cds-Cds)CtCs -638 Cs-(Cds-Cdd-Cd)CbCtCs 5.10 -34.88 3.99 7.36 8.89 9.58 9.76 9.16 7.25 Cs-CbCtCdCs BOZZELLI =3D Cs/Cb/Cd/Cs2 + (Cs/Cs3/Ct - Cs/Cs4) -639 Cs-CbCbCdsCs Cs-(Cds-Cds)CbCbCs -640 Cs-(Cds-Od)CbCbCs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs -641 Cs-(Cds-Cd)CbCbCs Cs-(Cds-Cds)CbCbCs -642 Cs-(Cds-Cds)CbCbCs 5.10 -34.88 3.99 7.36 8.89 9.58 9.76 9.16 7.25 Cs-CbCbCdCs BOZZELLI =3D Cs/Cs2/Cb2 + (Cs/Cs3/Cd - Cs/Cs4) -643 Cs-(Cds-Cdd)CbCbCs Cs-(Cds-Cdd-Cd)CbCbCs -644 Cs-(Cds-Cdd-Od)CbCbCs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs -645 Cs-(Cds-Cdd-Cd)CbCbCs Cs-(Cds-Cds)CbCbCs -646 Cs-CtCtCtCs 6.23 -35.34 4.37 8.11 9.55 10.1 10.03 9.36 6.65 Cs-CtCtCtCs BOZZELLI =3D Cs/Cs2/Ct2 + (Cs/Cs3/Ct - Cs/Cs4) -647 Cs-CbCtCtCs 6.23 -35.34 4.37 8.11 9.55 10.1 10.03 9.36 6.65 Cs-CbCtCtCs BOZZELLI =3D Cs/Cs2/Cb/Ct + (Cs/Cs3/Ct - Cs/Cs4) -648 Cs-CbCbCtCs 6.43 -35.34 4.37 8.11 9.55 10.1 10.03 9.36 6.65 Cs-CbCbCtCs BOZZELLI =3D Cs/Cs2/Cb2 + (Cs/Cs3/Ct - Cs/Cs4) -649 Cs-CbCbCbCs 6.23 -35.34 4.37 8.11 9.55 10.1 10.03 9.36 6.65 Cs-CbCbCbCs BOZZELLI =3D Cs/Cs2/Cb2 + (Cs/Cs3/Cb - Cs/Cs4) -650 Cs-CdsCdsCdsCds Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -651 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Od) Cs-CsCsCsCs -652 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cd) Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) -653 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cs -654 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd) Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Cd) -655 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)CsCsCs -656 Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) -657 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)(Cds-Cd) Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -658 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) Cs-(Cds-Od)(Cds-Od)CsCs -659 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cds) Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds) -660 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cs -661 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds) Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -662 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -663 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs -664 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) -665 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -666 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)(Cds-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -667 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) Cs-(Cds-Od)CsCsCs -668 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) -669 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) Cs-(Cds-Od)(Cds-Cdd-Od)CsCs -670 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -671 Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -672 Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -673 Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -674 Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -675 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -676 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -677 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -678 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -679 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) // Would have same value as Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -680 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)(Cds-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -681 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) Cs-CsCsCsCs -682 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) -683 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)CsCsCs -684 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) // Would have same value as Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -685 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -686 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs -687 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -688 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) // Would have same value as Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -689 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -690 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs -691 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -692 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -693 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -694 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) -695 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -696 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) -697 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -698 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -699 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -700 Cs-CtCdsCdsCds Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -701 Cs-(Cds-Od)(Cds-Od)(Cds-Od)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) -702 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct -703 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -704 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Ct -705 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) -706 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Ct Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct -707 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct -708 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -709 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Ct Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Ct -710 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -711 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct -712 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Ct Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct -713 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -714 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Ct -715 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct -716 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -717 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -718 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Ct -719 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -720 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -721 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Ct Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct -722 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -723 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct -724 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -725 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Ct Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct -726 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) -727 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct -728 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct -729 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -730 Cs-CbCdsCdsCds Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb -731 Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) -732 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cb -733 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -734 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cb -735 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) -736 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cb Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cb -737 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb -738 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -739 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cb Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cb -740 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -741 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb -742 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cb Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb -743 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -744 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cb -745 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb -746 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb -747 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -748 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cb -749 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -750 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb -751 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cb Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb -752 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -753 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cb -754 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb -755 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cb Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb -756 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) -757 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb -758 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cb -759 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb -760 Cs-CtCtCdsCds Cs-(Cds-Cds)(Cds-Cds)CtCt -761 Cs-(Cds-Od)(Cds-Od)CtCt Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -762 Cs-(Cds-Od)(Cds-Cd)CtCt Cs-(Cds-Od)(Cds-Cds)CtCt -763 Cs-(Cds-Od)(Cds-Cds)CtCt Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -764 Cs-(Cds-Od)(Cds-Cdd)CtCt Cs-(Cds-Od)(Cds-Cdd-Cd)CtCt -765 Cs-(Cds-Od)(Cds-Cdd-Od)CtCt Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -766 Cs-(Cds-Od)(Cds-Cdd-Cd)CtCt Cs-(Cds-Od)(Cds-Cds)CtCt -767 Cs-(Cds-Cd)(Cds-Cd)CtCt Cs-(Cds-Cds)(Cds-Cds)CtCt -768 Cs-(Cds-Cds)(Cds-Cds)CtCt 5.48 -34.5 3.61 7.3 8.97 9.69 9.84 9.42 7.36 Cs-CtCtCdCd BOZZELLI =3D Cs/Cs/Cd/Ct2 + (Cs/Cs3/Cd - Cs/Cs4) -769 Cs-(Cds-Cdd)(Cds-Cds)CtCt Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCt -770 Cs-(Cds-Cdd-Od)(Cds-Cds)CtCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -771 Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCt Cs-(Cds-Cds)(Cds-Cds)CtCt // Would have same value as Cs-(Cds-Cds)(Cds-Cds)CtCt -772 Cs-(Cds-Cdd)(Cds-Cdd)CtCt Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCt -773 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -774 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCt Cs-(Cds-Cdd-Od)(Cds-Cds)CtCt -775 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCt Cs-(Cds-Cds)(Cds-Cds)CtCt -776 Cs-CbCtCdsCds Cs-(Cds-Cds)(Cds-Cds)CbCt -777 Cs-(Cds-Od)(Cds-Od)CbCt Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct -778 Cs-(Cds-Od)(Cds-Cd)CbCt Cs-(Cds-Od)(Cds-Cds)CbCt -779 Cs-(Cds-Od)(Cds-Cds)CbCt Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct -780 Cs-(Cds-Od)(Cds-Cdd)CbCt Cs-(Cds-Od)(Cds-Cdd-Cd)CbCt -781 Cs-(Cds-Od)(Cds-Cdd-Od)CbCt Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Ct -782 Cs-(Cds-Od)(Cds-Cdd-Cd)CbCt Cs-(Cds-Od)(Cds-Cds)CbCt -783 Cs-(Cds-Cd)(Cds-Cd)CbCt Cs-(Cds-Cds)(Cds-Cds)CbCt -784 Cs-(Cds-Cds)(Cds-Cds)CbCt 5.48 -34.5 3.61 7.3 8.97 9.69 9.84 9.42 7.36 Cs-CbCtCdCd BOZZELLI =3D Cs/Cs/Cb/Cd2 + (Cs/Cs3/Ct - Cs/Cs4) -785 Cs-(Cds-Cdd)(Cds-Cds)CbCt Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCt -786 Cs-(Cds-Cdd-Od)(Cds-Cds)CbCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct -787 Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCt Cs-(Cds-Cds)(Cds-Cds)CbCt -788 Cs-(Cds-Cdd)(Cds-Cdd)CbCt Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCt -789 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCt Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct -790 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCt Cs-(Cds-Cdd-Od)(Cds-Cds)CbCt -791 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCt Cs-(Cds-Cds)(Cds-Cds)CbCt -792 Cs-CbCbCdsCds Cs-(Cds-Cds)(Cds-Cds)CbCb -793 Cs-(Cds-Od)(Cds-Od)CbCb Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) -794 Cs-(Cds-Od)(Cds-Cd)CbCb Cs-(Cds-Od)(Cds-Cds)CbCb -795 Cs-(Cds-Od)(Cds-Cds)CbCb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -796 Cs-(Cds-Od)(Cds-Cdd)CbCb Cs-(Cds-Od)(Cds-Cdd-Cd)CbCb -797 Cs-(Cds-Od)(Cds-Cdd-Od)CbCb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -798 Cs-(Cds-Od)(Cds-Cdd-Cd)CbCb Cs-(Cds-Od)(Cds-Cds)CbCb -799 Cs-(Cds-Cd)(Cds-Cd)CbCb Cs-(Cds-Cds)(Cds-Cds)CbCb -800 Cs-(Cds-Cds)(Cds-Cds)CbCb 5.48 -34.5 3.61 7.3 8.97 9.69 9.84 9.42 7.36 Cs-CbCbCdCd BOZZELLI =3D Cs/Cs/Cb2/Cd + (Cs/Cs3/Cd - Cs/Cs4) -801 Cs-(Cds-Cdd)(Cds-Cds)CbCb Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCb -802 Cs-(Cds-Cdd-Od)(Cds-Cds)CbCb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -803 Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCb Cs-(Cds-Cds)(Cds-Cds)CbCb -804 Cs-(Cds-Cdd)(Cds-Cdd)CbCb Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCb -805 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) -806 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCb Cs-(Cds-Cdd-Od)(Cds-Cds)CbCb -807 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCb Cs-(Cds-Cds)(Cds-Cds)CbCb -808 Cs-CtCtCtCds Cs-(Cds-Cds)CtCtCt -809 Cs-(Cds-Od)CtCtCt Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -810 Cs-(Cds-Cds)CtCtCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -811 Cs-(Cds-Cdd)CtCtCt Cs-(Cds-Cdd-Cd)CtCtCt -812 Cs-(Cds-Cdd-Od)CtCtCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -813 Cs-(Cds-Cdd-Cd)CtCtCt Cs-(Cds-Cds)CtCtCt // Would have same value as Cs-(Cds-Cds)CtCtCt -814 Cs-CbCtCtCds Cs-(Cds-Cds)CbCtCt -815 Cs-(Cds-Od)CbCtCt Cs-(Cds-Od)(Cds-Cds)CtCt -816 Cs-(Cds-Cd)CbCtCt Cs-(Cds-Cds)CbCtCt -817 Cs-(Cds-Cds)CbCtCt Cs-(Cds-Cds)(Cds-Cds)CtCt -818 Cs-(Cds-Cdd)CbCtCt Cs-(Cds-Cdd-Cd)CbCtCt -819 Cs-(Cds-Cdd-Od)CbCtCt Cs-(Cds-Cdd-Od)(Cds-Cds)CtCt -820 Cs-(Cds-Cdd-Cd)CbCtCt Cs-(Cds-Cds)CbCtCt -821 Cs-CbCbCtCds Cs-(Cds-Cds)CbCbCt -822 Cs-(Cds-Od)CbCbCt Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct -823 Cs-(Cds-Cd)CbCbCt Cs-(Cds-Cds)CbCbCt -824 Cs-(Cds-Cds)CbCbCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -825 Cs-(Cds-Cdd)CbCbCt Cs-(Cds-Cdd-Cd)CbCbCt -826 Cs-(Cds-Cdd-Od)CbCbCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct -827 Cs-(Cds-Cdd-Cd)CbCbCt Cs-(Cds-Cds)CbCbCt -828 Cs-CbCbCbCds Cs-(Cds-Cds)CbCbCb -829 Cs-(Cds-Od)CbCbCb Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) -830 Cs-(Cds-Cd)CbCbCb Cs-(Cds-Cds)CbCbCb -831 Cs-(Cds-Cds)CbCbCb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -832 Cs-(Cds-Cdd)CbCbCb Cs-(Cds-Cdd-Cd)CbCbCb -833 Cs-(Cds-Cdd-Od)CbCbCb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) -834 Cs-(Cds-Cdd-Cd)CbCbCb Cs-(Cds-Cds)CbCbCb -835 Cs-CtCtCtCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -836 Cs-CbCtCtCt Cs-(Cds-Cds)CtCtCt -837 Cs-CbCbCtCt Cs-(Cds-Cds)(Cds-Cds)CtCt -838 Cs-CbCbCbCt Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct -839 Cs-CbCbCbCb Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) -840 Cs-CCCOs Cs-CsCsCsOs -841 Cs-CsCsCsOs -6.6 -33.56 4.33 6.19 7.25 7.7 8.2 8.24 8.24 Cs-OCsCsCs BENSON !!!WARNING! Cp1500 value taken as Cp1000 -842 Cs-CdsCsCsOs Cs-(Cds-Cds)CsCsOs -843 Cs-(Cds-Od)CsCsOs -3.6 -34.72 3.99 6.04 7.43 8.26 8.92 8.96 8.23 "Cs-OCOCsCs Hf BENSON S,Cp =3D C/Cd/C3" -844 Cs-(Cds-Cd)CsCsOs Cs-(Cds-Cds)CsCsOs -845 Cs-(Cds-Cds)CsCsOs -6.6 -32.56 4.63 6.79 7.95 8.4 8.8 8.44 8.44 "Cs-OCdCsCs BOZZELLI C/C3/O - (C/C3/H - C/Cb/C2/H), Hf-1 !!!WARNING! Cp1500 value taken as Cp1000" -846 Cs-(Cds-Cdd)CsCsOs Cs-(Cds-Cdd-Cd)CsCsOs -847 Cs-(Cds-Cdd-Od)CsCsOs -9.725 -36.50 8.39 9.66 10.03 10.07 9.64 9.26 8.74 {C/CCO/O/C2} RAMAN & GREEN JPCA. 2002 -848 Cs-(Cds-Cdd-Cd)CsCsOs Cs-(Cds-Cds)CsCsOs -849 Cs-OsCtCsCs Cs-(Cds-Cds)CsCsOs -850 Cs-CbCsCsOs -6.6 -32.56 4.63 6.79 7.95 8.4 8.8 8.44 8.44 "Cs-OCbCsCs BOZZELLI C/C3/O - (C/C3/H - C/Cb/C2/H), Hf-1 !!!WARNING! Cp1500 value taken as Cp1000" -851 Cs-CdsCdsCsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -852 Cs-(Cds-Od)(Cds-Od)CsOs Cs-CsCsCsOs -853 Cs-(Cds-Od)(Cds-Cd)CsOs Cs-(Cds-Od)(Cds-Cds)CsOs -854 Cs-(Cds-Od)(Cds-Cds)CsOs Cs-(Cds-Od)CsCsOs -855 Cs-(Cds-Od)(Cds-Cdd)CsOs Cs-(Cds-Od)(Cds-Cdd-Cd)CsOs -856 Cs-(Cds-Od)(Cds-Cdd-Od)CsOs Cs-(Cds-Cdd-Od)CsCsOs -857 Cs-(Cds-Od)(Cds-Cdd-Cd)CsOs Cs-(Cds-Od)(Cds-Cds)CsOs -858 Cs-(Cds-Cd)(Cds-Cd)CsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -859 Cs-(Cds-Cds)(Cds-Cds)CsOs -8.01 -34.34 3.61 5.98 7.51 8.37 9 9.02 8.34 "Cs-OCdCdCs Hf jwb 697 S,Cp from C/Cd2/C2" -860 Cs-(Cds-Cdd)(Cds-Cds)CsOs Cs-(Cds-Cdd-Cd)(Cds-Cds)CsOs -861 Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs Cs-(Cds-Cdd-Od)CsCsOs -862 Cs-(Cds-Cdd-Cd)(Cds-Cds)CsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -863 Cs-(Cds-Cdd)(Cds-Cdd)CsOs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsOs -864 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -865 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsOs Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs -866 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -867 Cs-CtCdsCsOs Cs-(Cds-Cds)CtCsOs -868 Cs-(Cds-Od)CtCsOs Cs-(Cds-Od)(Cds-Cds)CsOs -869 Cs-(Cds-Cd)CtCsOs Cs-(Cds-Cds)CtCsOs -870 Cs-(Cds-Cds)CtCsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -871 Cs-(Cds-Cdd)CtCsOs Cs-(Cds-Cdd-Cd)CtCsOs -872 Cs-(Cds-Cdd-Od)CtCsOs Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs -873 Cs-(Cds-Cdd-Cd)CtCsOs Cs-(Cds-Cds)CtCsOs -874 Cs-CbCdsCsOs Cs-(Cds-Cds)CbCsOs -875 Cs-(Cds-Od)CbCsOs Cs-(Cds-Od)(Cds-Cds)CsOs -876 Cs-(Cds-Cd)CbCsOs Cs-(Cds-Cds)CbCsOs -877 Cs-(Cds-Cds)CbCsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -878 Cs-(Cds-Cdd)CbCsOs Cs-(Cds-Cdd-Cd)CbCsOs -879 Cs-(Cds-Cdd-Od)CbCsOs Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs -880 Cs-(Cds-Cdd-Cd)CbCsOs Cs-(Cds-Cds)CbCsOs -881 Cs-CtCtCsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -882 Cs-CbCtCsOs Cs-(Cds-Cds)CtCsOs -883 Cs-CbCbCsOs Cs-(Cds-Cds)(Cds-Cds)CsOs -884 Cs-CdsCdsCdsOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -885 Cs-(Cds-Od)(Cds-Od)(Cds-Od)Os Cs-CsCsCsOs -886 Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Os Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os -887 Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os Cs-(Cds-Od)(Cds-Od)CsOs -888 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Os Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Os -889 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Os Cs-(Cds-Cdd-Od)CsCsOs -890 Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Os Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os -891 Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Os Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -892 Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os Cs-(Cds-Od)CsCsOs -893 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Os Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Os -894 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os Cs-(Cds-Od)(Cds-Cdd-Od)CsOs -895 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Os Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -896 Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Os Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os -897 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsOs -898 Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os -899 Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -900 Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -901 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os Cs-CsCsCsOs -902 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Os -903 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os Cs-(Cds-Cdd-Od)CsCsOs -904 Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -905 Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Os Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os -906 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsOs -907 Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -908 Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -909 Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Os Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os -910 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -911 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os -912 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -913 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -914 Cs-CtCdsCdsOs Cs-(Cds-Cds)(Cds-Cds)CtOs -915 Cs-(Cds-Od)(Cds-Od)CtOs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os -916 Cs-(Cds-Od)(Cds-Cd)CtOs Cs-(Cds-Od)(Cds-Cds)CtOs -917 Cs-(Cds-Od)(Cds-Cds)CtOs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -918 Cs-(Cds-Od)(Cds-Cdd)CtOs Cs-(Cds-Od)(Cds-Cdd-Cd)CtOs -919 Cs-(Cds-Od)(Cds-Cdd-Od)CtOs Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os -920 Cs-(Cds-Od)(Cds-Cdd-Cd)CtOs Cs-(Cds-Od)(Cds-Cds)CtOs -921 Cs-(Cds-Cd)(Cds-Cd)CtOs Cs-(Cds-Cds)(Cds-Cds)CtOs -922 Cs-(Cds-Cds)(Cds-Cds)CtOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -923 Cs-(Cds-Cdd)(Cds-Cds)CtOs Cs-(Cds-Cdd-Cd)(Cds-Cds)CtOs -924 Cs-(Cds-Cdd-Od)(Cds-Cds)CtOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -925 Cs-(Cds-Cdd-Cd)(Cds-Cds)CtOs Cs-(Cds-Cds)(Cds-Cds)CtOs -926 Cs-(Cds-Cdd)(Cds-Cdd)CtOs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtOs -927 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtOs Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os -928 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtOs Cs-(Cds-Cdd-Od)(Cds-Cds)CtOs -929 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtOs Cs-(Cds-Cds)(Cds-Cds)CtOs -930 Cs-CbCdsCdsOs Cs-(Cds-Cds)(Cds-Cds)CbOs -931 Cs-(Cds-Od)(Cds-Od)CbOs Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os -932 Cs-(Cds-Od)(Cds-Cd)CbOs Cs-(Cds-Od)(Cds-Cds)CbOs -933 Cs-(Cds-Od)(Cds-Cds)CbOs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -934 Cs-(Cds-Od)(Cds-Cdd)CbOs Cs-(Cds-Od)(Cds-Cdd-Cd)CbOs -935 Cs-(Cds-Od)(Cds-Cdd-Od)CbOs Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os -936 Cs-(Cds-Od)(Cds-Cdd-Cd)CbOs Cs-(Cds-Od)(Cds-Cds)CbOs -937 Cs-(Cds-Cd)(Cds-Cd)CbOs Cs-(Cds-Cds)(Cds-Cds)CbOs -938 Cs-(Cds-Cds)(Cds-Cds)CbOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -939 Cs-(Cds-Cdd)(Cds-Cds)CbOs Cs-(Cds-Cdd-Cd)(Cds-Cds)CbOs -940 Cs-(Cds-Cdd-Od)(Cds-Cds)CbOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -941 Cs-(Cds-Cdd-Cd)(Cds-Cds)CbOs Cs-(Cds-Cds)(Cds-Cds)CbOs -942 Cs-(Cds-Cdd)(Cds-Cdd)CbOs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbOs -943 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbOs Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os -944 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbOs Cs-(Cds-Cdd-Od)(Cds-Cds)CbOs -945 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbOs Cs-(Cds-Cds)(Cds-Cds)CbOs -946 Cs-CtCtCdsOs Cs-(Cds-Cds)CtCtOs -947 Cs-(Cds-Od)CtCtOs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -948 Cs-(Cds-Cd)CtCtOs Cs-(Cds-Cds)CtCtOs -949 Cs-(Cds-Cds)CtCtOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -950 Cs-(Cds-Cdd)CtCtOs Cs-(Cds-Cdd-Cd)CtCtOs -951 Cs-(Cds-Cdd-Od)CtCtOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -952 Cs-(Cds-Cdd-Cd)CtCtOs Cs-(Cds-Cds)CtCtOs -953 Cs-CbCtCdsOs Cs-(Cds-Cds)CbCtOs -954 Cs-(Cds-Od)CbCtOs Cs-(Cds-Od)(Cds-Cds)CtOs -955 Cs-(Cds-Cd)CbCtOs Cs-(Cds-Cds)CbCtOs -956 Cs-(Cds-Cds)CbCtOs Cs-(Cds-Cds)(Cds-Cds)CtOs -957 Cs-(Cds-Cdd)CbCtOs Cs-(Cds-Cdd-Cd)CbCtOs -958 Cs-(Cds-Cdd-Od)CbCtOs Cs-(Cds-Cdd-Od)(Cds-Cds)CtOs -959 Cs-(Cds-Cdd-Cd)CbCtOs Cs-(Cds-Cds)CbCtOs -960 Cs-CbCbCdsOs Cs-(Cds-Cds)CbCbOs -961 Cs-(Cds-Od)CbCbOs Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os -962 Cs-(Cds-Cd)CbCbOs Cs-(Cds-Cds)CbCbOs -963 Cs-(Cds-Cds)CbCbOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -964 Cs-(Cds-Cdd)CbCbOs Cs-(Cds-Cdd-Cd)CbCbOs -965 Cs-(Cds-Cdd-Od)CbCbOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os -966 Cs-(Cds-Cdd-Cd)CbCbOs Cs-(Cds-Cds)CbCbOs -967 Cs-CtCtCtOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -968 Cs-CbCtCtOs Cs-(Cds-Cds)CtCtOs -969 Cs-CbCbCtOs Cs-(Cds-Cds)(Cds-Cds)CtOs -970 Cs-CbCbCbOs Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os -971 Cs-CCOsOs Cs-CsCsOsOs -972 Cs-CsCsOsOs -9.77 -33.18 3.8 6.09 7.3 7.78 8.24 8.24 8.24 Cs-OOCsCs BOZZELLI =3D C/C3/O - (C/C2/H2 - C/C/H2/O) !!!WARNING! Cp1500 value taken as Cp1000 -973 Cs-CdsCsOsOs Cs-(Cds-Cds)CsOsOs -974 Cs-(Cds-Od)CsOsOs Cs-CsCsOsOs -975 Cs-(Cds-Cd)CsOsOs Cs-(Cds-Cds)CsOsOs -976 Cs-(Cds-Cds)CsOsOs Cs-CsCsOsOs -977 Cs-(Cds-Cdd)CsOsOs Cs-(Cds-Cdd-Cd)CsOsOs -978 Cs-(Cds-Cdd-Od)CsOsOs Cs-(Cds-Cds)CsOsOs -979 Cs-(Cds-Cdd-Cd)CsOsOs Cs-(Cds-Cds)CsOsOs -980 Cs-CdsCdsOsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -981 Cs-(Cds-Od)(Cds-Od)OsOs Cs-CsCsOsOs -982 Cs-(Cds-Od)(Cds-Cd)OsOs Cs-(Cds-Od)(Cds-Cds)OsOs -983 Cs-(Cds-Od)(Cds-Cds)OsOs Cs-(Cds-Od)CsOsOs -984 Cs-(Cds-Od)(Cds-Cdd)OsOs Cs-(Cds-Od)(Cds-Cdd-Cd)OsOs -985 Cs-(Cds-Od)(Cds-Cdd-Od)OsOs Cs-(Cds-Cdd-Od)CsOsOs -986 Cs-(Cds-Od)(Cds-Cdd-Cd)OsOs Cs-(Cds-Od)(Cds-Cds)OsOs -987 Cs-(Cds-Cd)(Cds-Cd)OsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -988 Cs-(Cds-Cds)(Cds-Cds)OsOs Cs-CsCsOsOs -989 Cs-(Cds-Cdd)(Cds-Cds)OsOs Cs-(Cds-Cdd-Cd)(Cds-Cds)OsOs -990 Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs Cs-(Cds-Cdd-Od)CsOsOs -991 Cs-(Cds-Cdd-Cd)(Cds-Cds)OsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -992 Cs-(Cds-Cdd)(Cds-Cdd)OsOs Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsOs -993 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -994 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsOs Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs -995 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -996 Cs-CtCsOsOs Cs-(Cds-Cds)CsOsOs -997 Cs-CtCdsOsOs Cs-(Cds-Cds)CtOsOs -998 Cs-(Cds-Od)CtOsOs Cs-(Cds-Od)(Cds-Cds)OsOs -999 Cs-(Cds-Cd)CtOsOs Cs-(Cds-Cds)CtOsOs -1000 Cs-(Cds-Cds)CtOsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -1001 Cs-(Cds-Cdd)CtOsOs Cs-(Cds-Cdd-Cd)CtOsOs -1002 Cs-(Cds-Cdd-Od)CtOsOs Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs -1003 Cs-(Cds-Cdd-Cd)CtOsOs Cs-(Cds-Cds)CtOsOs -1004 Cs-CtCtOsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -1005 Cs-CbCsOsOs Cs-(Cds-Cds)CsOsOs -1006 Cs-CbCdsOsOs Cs-(Cds-Cds)CbOsOs -1007 Cs-(Cds-Od)CbOsOs Cs-(Cds-Od)(Cds-Cds)OsOs -1008 Cs-(Cds-Cd)CbOsOs Cs-(Cds-Cds)CbOsOs -1009 Cs-(Cds-Cds)CbOsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -1010 Cs-(Cds-Cdd)CbOsOs Cs-(Cds-Cdd-Cd)CbOsOs -1011 Cs-(Cds-Cdd-Od)CbOsOs Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs -1012 Cs-(Cds-Cdd-Cd)CbOsOs Cs-(Cds-Cds)CbOsOs -1013 Cs-CbCtOsOs Cs-(Cds-Cds)CtOsOs -1014 Cs-CbCbOsOs Cs-(Cds-Cds)(Cds-Cds)OsOs -1015 Cs-COsOsOs Cs-CsOsOsOs -1016 Cs-CsOsOsOs -19 -33.56 4.33 6.19 7.25 7.7 8.2 8.24 8.24 Cs-OOOCs BOZZELLI est !!!WARNING! Cp1500 value taken as Cp1000 -1017 Cs-CdsOsOsOs Cs-(Cds-Cds)OsOsOs -1018 Cs-(Cds-Od)OsOsOs Cs-CsOsOsOs -1019 Cs-(Cds-Cd)OsOsOs Cs-(Cds-Cds)OsOsOs -1020 Cs-(Cds-Cds)OsOsOs Cs-CsOsOsOs -1021 Cs-(Cds-Cdd)OsOsOs Cs-(Cds-Cdd-Cd)OsOsOs -1022 Cs-(Cds-Cdd-Od)OsOsOs Cs-(Cds-Cds)OsOsOs -1023 Cs-(Cds-Cdd-Cd)OsOsOs Cs-(Cds-Cds)OsOsOs -1024 Cs-CtOsOsOs Cs-(Cds-Cds)OsOsOs -1025 Cs-CbOsOsOs Cs-(Cds-Cds)OsOsOs -1026 Cs-OsOsOsOs -23 -35.56 4.33 6.13 7.25 7.7 8.2 8.24 8.24 Cs-OOOO BOZZELLI est !!!WARNING! Cp1500 value taken as Cp1000 -1027 Cs-COsOsH Cs-CsOsOsH -1028 Cs-CsOsOsH -16 -12.07 5.25 7.1 8.81 9.55 10.31 11.05 11.05 "Cs-OOCsH BENSON Hf, BOZZELLI C/C3/H - C/C2/O/H !!!WARNING! Cp1500 value taken as Cp1000" -1029 Cs-CdsOsOsH Cs-(Cds-Cds)OsOsH -1030 Cs-(Cds-Od)OsOsH Cs-CsOsOsH -1031 Cs-(Cds-Cd)OsOsH Cs-(Cds-Cds)OsOsH -1032 Cs-(Cds-Cds)OsOsH Cs-CsOsOsH -1033 Cs-(Cds-Cdd)OsOsH Cs-(Cds-Cdd-Cd)OsOsH -1034 Cs-(Cds-Cdd-Od)OsOsH Cs-(Cds-Cds)OsOsH -1035 Cs-(Cds-Cdd-Cd)OsOsH Cs-(Cds-Cds)OsOsH -1036 Cs-CtOsOsH Cs-(Cds-Cds)OsOsH -1037 Cs-CbOsOsH Cs-(Cds-Cds)OsOsH -1038 Cs-CCOsH Cs-CsCsOsH -1039 Cs-CsCsOsH -7.2 -11 4.8 6.64 8.1 8.73 9.81 10.4 11.51 Cs-OCsCs BENSON: Cp1500 =3D Cp1000*(Cp1500/Cp1000: C/C2Cd/H) -1040 Cs-CdsCsOsH Cs-(Cds-Cds)CsOsH -1041 Cs-(Cds-Od)CsOsH -6.0 -11.1 4.47 6.82 8.45 9.17 10.24 10.8 11.02 Cs-OCOCsH BOZZELLI -1042 Cs-(Cds-Cd)CsOsH Cs-(Cds-Cds)CsOsH -1043 Cs-(Cds-Cds)CsOsH -6.0 -11.1 4.47 6.82 8.45 9.17 10.24 10.8 11.02 Cs-OCdCsH BOZZELLI -1044 Cs-(Cds-Cdd)CsOsH Cs-(Cds-Cdd-Cd)CsOsH -1045 Cs-(Cds-Cdd-Od)CsOsH -8.370 -13.04 7.20 8.49 9.33 9.92 10.5 10.92 11.71 {C/CCO/O/C/H} RAMAN & GREEN JPCA. 2002 -1046 Cs-(Cds-Cdd-Cd)CsOsH Cs-(Cds-Cds)CsOsH -1047 Cs-CdsCdsOsH Cs-(Cds-Cds)(Cds-Cds)OsH -1048 Cs-(Cds-Od)(Cds-Od)OsH Cs-CsCsOsH -1049 Cs-(Cds-Od)(Cds-Cd)OsH Cs-(Cds-Od)(Cds-Cds)OsH -1050 Cs-(Cds-Od)(Cds-Cds)OsH Cs-(Cds-Od)CsOsH -1051 Cs-(Cds-Od)(Cds-Cdd)OsH Cs-(Cds-Od)(Cds-Cdd-Cd)OsH -1052 Cs-(Cds-Od)(Cds-Cdd-Od)OsH Cs-(Cds-Cdd-Od)CsOsH -1053 Cs-(Cds-Od)(Cds-Cdd-Cd)OsH Cs-(Cds-Od)(Cds-Cds)OsH -1054 Cs-(Cds-Cd)(Cds-Cd)OsH Cs-(Cds-Cds)(Cds-Cds)OsH -1055 Cs-(Cds-Cds)(Cds-Cds)OsH -6.67 -10.42 4.21 6.6 8.26 9.05 10.23 10.86 11.04 Cs-OCdCdH BOZZELLI -1056 Cs-(Cds-Cdd)(Cds-Cds)OsH Cs-(Cds-Cdd-Cd)(Cds-Cds)OsH -1057 Cs-(Cds-Cdd-Od)(Cds-Cds)OsH Cs-(Cds-Cdd-Od)CsOsH -1058 Cs-(Cds-Cdd-Cd)(Cds-Cds)OsH Cs-(Cds-Cds)(Cds-Cds)OsH -1059 Cs-(Cds-Cdd)(Cds-Cdd)OsH Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsH -1060 Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsH Cs-(Cds-Cds)(Cds-Cds)OsH -1061 Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsH Cs-(Cds-Cdd-Od)(Cds-Cds)OsH -1062 Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsH Cs-(Cds-Cds)(Cds-Cds)OsH -1063 Cs-CtCsOsH Cs-(Cds-Cds)CsOsH -1064 Cs-CtCdsOsH Cs-(Cds-Cds)CtOsH -1065 Cs-(Cds-Od)CtOsH Cs-(Cds-Od)(Cds-Cds)OsH -1066 Cs-(Cds-Cd)CtOsH Cs-(Cds-Cds)CtOsH -1067 Cs-(Cds-Cds)CtOsH Cs-(Cds-Cds)(Cds-Cds)OsH -1068 Cs-(Cds-Cdd)CtOsH Cs-(Cds-Cdd-Cd)CtOsH -1069 Cs-(Cds-Cdd-Od)CtOsH Cs-(Cds-Cdd-Od)(Cds-Cds)OsH -1070 Cs-(Cds-Cdd-Cd)CtOsH Cs-(Cds-Cds)CtOsH -1071 Cs-CtCtOsH Cs-(Cds-Cds)(Cds-Cds)OsH -1072 Cs-CbCsOsH -6.0 -11.1 4.47 6.82 8.45 9.17 10.24 10.8 11.02 Cs-OCbCsH BOZZELLI =3D C/Cd/C/H/O Jul 91 -1073 Cs-CbCdsOsH Cs-(Cds-Cds)CbOsH -1074 Cs-(Cds-Od)CbOsH Cs-(Cds-Od)(Cds-Cds)OsH -1075 Cs-(Cds-Cd)CbOsH Cs-(Cds-Cds)CbOsH -1076 Cs-(Cds-Cds)CbOsH Cs-(Cds-Cds)(Cds-Cds)OsH -1077 Cs-(Cds-Cdd)CbOsH Cs-(Cds-Cdd-Cd)CbOsH -1078 Cs-(Cds-Cdd-Od)CbOsH Cs-(Cds-Cdd-Od)(Cds-Cds)OsH -1079 Cs-(Cds-Cdd-Cd)CbOsH Cs-(Cds-Cds)CbOsH -1080 Cs-CbCtOsH Cs-(Cds-Cds)CtOsH -1081 Cs-CbCbOsH Cs-(Cds-Cds)(Cds-Cds)OsH -1082 Cs-COsHH Cs-CsOsHH -1083 Cs-CsOsHH -8.1 9.8 4.99 6.85 8.3 9.43 11.11 12.33 12.33 Cs-OCsHH BENSON !!!WARNING! Cp1500 value taken as Cp1000 -1084 Cs-CdsOsHH Cs-(Cds-Cds)OsHH -1085 Cs-(Cds-Od)OsHH -5.28 10.17 2.95 6.74 8.53 9.8 11.61 12.65 14.4 Cs-OCOHH jwl 99 cdsQ cc*ocq -1086 Cs-(Cds-Cd)OsHH Cs-(Cds-Cds)OsHH -1087 Cs-(Cds-Cds)OsHH -6.76 9.8 5.12 6.86 8.32 9.49 11.22 12.48 14.4 Cs-OCdHH BOZZELLI Hf PEDLEY c*ccoh C/C/Cd/H2 -1088 Cs-(Cds-Cdd)OsHH Cs-(Cds-Cdd-Cd)OsHH -1089 Cs-(Cds-Cdd-Od)OsHH -8.680 8.43 7.15 8.67 9.75 10.65 11.93 12.97 14.86 {C/CCO/O/H2} RAMAN & GREEN JPCA. 2002 -1090 Cs-(Cds-Cdd-Cd)OsHH Cs-(Cds-Cds)OsHH -1091 Cs-CtOsHH -6.76 9.8 5.12 6.86 8.32 9.49 11.22 12.48 14.4 Cs-OCtHH BOZZELLI assigned C/Cd/H2/O -1092 Cs-CbOsHH Cs-(Cds-Cds)OsHH - -1093 O Os-CsCs -1094 Od Od-Cd -1095 Od-Cd 0 0 0 0 0 0 0 0 0 In this case the C is treated as the central atom -1096 Od-Od 0 49.01 7.01 7.22 7.44 7.65 8.07 8.35 8.72 "O2 Kee et al., SAND87-8215B, 1994" -1097 Os Os-(Cds-Cd)(Cds-Cd) -1098 Os-HH -57.8 45.1 8 8.4 9.2 9.9 11.2 12.3 12.3 O-HH WATER. !!!WARNING! Cp1500 value taken as Cp1000 -1099 Os-OsH -16.3 27.83 5.21 5.72 6.17 6.66 7.15 7.61 8.43 O-OH SANDIA 1/2*H2O2 -1100 Os-OsOs 8.85 9.4 2.2 3.64 4.2 4.34 4.62 4.9 4.9 O-OO LAY 1997=20 !!!WARNING! Cp1500 value taken as Cp1000 -1101 Os-CH Os-CsH -1102 Os-CtH -37.9 29.1 4.3 4.5 4.82 5.23 6.02 6.61 7.44 O-CtH BENSON (Assigned O-CsH) -1103 Os-CdsH Os-(Cds-Cd)H -1104 Os-(Cds-Od)H -58.1 24.5 3.8 5 5.8 6.3 7.2 7.8 7.8 O-COH !!!WARNING! Cp1500 value taken as Cp1000 -1105 Os-(Cds-Cd)H -37.9 29.1 4.3 4.5 4.82 5.23 6.02 6.61 7.44 O-CdH BENSON (Assigned O-CsH) -1106 Os-CsH -37.9 29.07 4.3 4.5 4.82 5.23 6.02 6.61 7.44 O-CsH BENSON -1107 Os-CbH -37.9 29.1 4.3 4.5 4.82 5.23 6.02 6.61 7.44 O-CbH BENSON (Assigned O-CsH) -1108 Os-OsC Os-OsCs -1109 Os-OsCt 7.0 10.8 3.9 4.31 4.6 4.84 5.32 5.8 5.8 "O-OCb Hf JWB plot S,Cp assigned O/O/Cd !!!WARNING! Cp1500 value taken as Cp1000" -1110 Os-OsCds Os-Os(Cds-Cd) -1111 Os-Os(Cds-Od) -23.22 9.11 3.53 5.02 5.79 6.08 6.54 6.49 6.49 O-OCO jwl cbsQ 99 cqcho=20 !!!WARNING! Cp1500 value taken as Cp1000 -1112 Os-Os(Cds-Cd) 1.64 10.12 3.5 3.87 3.95 4.15 4.73 4.89 4.89 "O-OCd WESTMORELAND S,Cp LAY'9405 !!!WARNING! Cp1500 value taken as Cp1000" -1113 Os-OsCs -5.40 8.54 3.9 4.31 4.6 4.84 5.32 5.8 5.8 O-OCs LAY 1997 !!!WARNING! Cp1500 value taken as Cp1000 -1114 Os-OsCb Os-Os(Cds-Cd) -1115 Os-CC Os-(Cds-Cd)(Cds-Cd) -1116 Os-CtCt Os-(Cds-Cd)(Cds-Cd) -1117 Os-CtCds Os-(Cds-Cd)(Cds-Cd) -1118 Os-Ct(Cds-Od) Os-(Cds-Cd)(Cds-Cd) -1119 Os-Ct(Cds-Cd) Os-(Cds-Cd)(Cds-Cd) -1120 Os-CtCs Os-Cs(Cds-Cd) -1121 Os-CtCb Os-(Cds-Cd)(Cds-Cd) -1122 Os-CdsCds Os-(Cds-Cd)(Cds-Cd) -1123 Os-(Cds-Od)(Cds-Od) -46.00 2.5 3.45 4.74 5.28 4.74 5.89 6.1 6.1 "O-COCO Hf BENSON S,Cp Mopac=3D" -1124 Os-(Cds-Od)(Cds-Cd) Os-(Cds-Cd)(Cds-Cd) -1125 Os-(Cds-Cd)(Cds-Cd) -32.80 10 3.4 3.7 3.7 3.8 4.4 4.6 4.8 O-CdCd BOZZELLI -1126 Os-CdsCs Os-Cs(Cds-Cd) -1127 Os-Cs(Cds-Od) -42.19 8.4 3.91 4.31 4.6 4.84 5.32 5.8 5.8 "O-COCs BOZZELLI Jul91 S,Cp ABaldwin O/Cs/O !!!WARNING! Cp1500 value taken as Cp1000" -1128 Os-Cs(Cds-Cd) -23.73 9.7 3.91 4.31 4.6 4.84 5.32 5.8 5.8 O-CdCs Hf RADOM vin-oh S A.Baldwin O/Cs/O !!!WARNING! Cp1500 value taken as Cp1000 -1129 Os-CsCs -23.20 8.68 3.40 3.70 3.70 3.80 4.40 4.60 4.60 O-CsCs BENSON !!!WARNING! Cp1500 value taken as Cp1000 -1130 Os-CsCb -22.60 9.70 3.40 3.70 3.70 3.80 4.40 4.60 4.60 "O-CbCs REID, PRAUSNITZ and SHERWOOD !!!WARNING! Cp1500 value taken as Cp1000" -1131 Os-CbCb -18.77 13.59 1.19 -0.24 -0.72 -0.51 0.43 1.36 1.75 "O-CbCb CHERN 1/97 Hf PEDLEY, Mopac" diff --git a/output/RMG_database_sulfur/thermo_groups/backup/Other_Corrections.txt b/output/RMG_database_sulfur/thermo_groups/backup/Other_Corrections.txt deleted file mode 100644 index ce353104a5..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/backup/Other_Corrections.txt +++ /dev/null @@ -1,80 +0,0 @@ -////////////////////////////////////////////////////////////////////////////////////// -// Other Corrections -// Joanna Yu -// Oct. 29 -// -// Jing Song: get rid of the dots following the index -// -////////////////////////////////////////////////////////////////////////////////////// - -// Notation: -// Dcis is a double bons with cis conformations -// R|H means any atom, except H - -// ALL *MUST* HAVE A NOTE AT THE END, AND 9 NUMBERS IF ANY ARE PROVIDED. -// H kcal/mol, others in cal/molK. -// Group H S Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 Note - -1 cis 1.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 "Cis double bond interaction BENSON" -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 R|H 0 {1,S} -4 H 0 {1,S} -5 R|H 0 {2,S} -6 H 0 {2,S} - -2 2-butene cis 1.00 1.2 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 "The entropy correction for 2-cis-butene is not zero BENSON" -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} {10,S} {11,S} {12,S} -5 C 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} -10 H 0 {4,S} -11 H 0 {4,S} -12 H 0 {4,S} - -3 t-butyl cis 4.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 "Cis double bond interaction involving tertiary butyl group BENSON" -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 R|H 0 {2,S} -6 H 0 {2,S} -7 R|H 0 {3,S} -8 R 0 {3,S} -9 R 0 {3,S} - -4 double cis 3.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 "2 Cis interactions around a double bond BENSON" -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 R|H 0 {1,S} -4 R|H 0 {1,S} -5 R|H 0 {2,S} -6 R|H 0 {2,S} - -5 t-butyl cis t-butyl 10.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 "Cis double bond interaction invloving two tertiary butyl groups BENSON" -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} {10,S} {11,S} {12,S} -5 R|H 0 {2,S} -6 H 0 {2,S} -7 R|H 0 {3,S} -8 R|H 0 {3,S} -9 R|H 0 {3,S} -10 R|H 0 {4,S} -11 R|H 0 {4,S} -12 R|H 0 {4,S} - -6 ortho 0.57 -1.61 1.12 1.35 1.30 1.17 0.88 0.66 -0.05 "Ortho correction from BENSON" -1 * C 0 {2,B} {3,B} {4,S} -2 * C 0 {1,B} {5,B} {6,S} -3 C 0 {1,B} -4 R|H 0 {1,S} -5 C 0 {2,B} -6 R|H 0 {2,S} - diff --git a/output/RMG_database_sulfur/thermo_groups/backup/Other_Library_Dictionary.txt b/output/RMG_database_sulfur/thermo_groups/backup/Other_Library_Dictionary.txt deleted file mode 100644 index 3170fb440a..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/backup/Other_Library_Dictionary.txt +++ /dev/null @@ -1,177 +0,0 @@ -////////////////////////////////////////////////////////////////////////////////////// -// Other Corrections -// Joanna Yu -// Oct. 29 -// -// Jing Song: get rid of the dots following the index -// -////////////////////////////////////////////////////////////////////////////////////// - -// Notation: -// Dcis is a double bons with cis conformations -// R|H means any atom, except H - -// ALL *MUST* HAVE A NOTE AT THE END, AND 9 NUMBERS IF ANY ARE PROVIDED. -// H kcal/mol, others in cal/molK. -// Group H S Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 Note - -0 R 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "dummy root" -1 * R 0 - -1 cis 1.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 "Cis double bond interaction BENSON" -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 R|H 0 {1,S} -4 H 0 {1,S} -5 R|H 0 {2,S} -6 H 0 {2,S} - -2 2-ene_cis 1.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 R|H 0 {2,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} - -3 2-butene_cis 1.00 1.2 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 "The entropy correction for 2-cis-butene is not zero BENSON" -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 C 0 {2,S} {10,S} {11,S} {12,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} -10 H 0 {5,S} -11 H 0 {5,S} -12 H 0 {5,S} - -4 t-butyl_cis_2-ene 4.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 "Cis double bond interaction involving tertiary butyl group BENSON" -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 C 0 {2,S} {10,S} {11,S} {12,S} -6 H 0 {2,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {3,S} -10 R|H 0 {5,S} -11 R|H 0 {5,S} -12 R|H 0 {5,S} - -5 higher-ene_cis 1.00 -0.6 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 "The entropy correction for 2-cis-butene is not zero BENSON" -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 C 0 {2,S} {10,S} {11,S} {12,S} -6 H 0 {2,S} -7 R|H 0 {3,S} -8 R 0 {3,S} -9 R 0 {3,S} -10 R|H 0 {5,S} -11 R 0 {5,S} -12 R 0 {5,S} - -6 t-butyl_cis_t-butyl 10.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 "Cis double bond interaction invloving two tertiary butyl groups BENSON" -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 C 0 {2,S} {10,S} {11,S} {12,S} -6 H 0 {2,S} -7 R|H 0 {3,S} -8 R|H 0 {3,S} -9 R|H 0 {3,S} -10 R|H 0 {5,S} -11 R|H 0 {5,S} -12 R|H 0 {5,S} - -7 t-butyl_cis 4.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 "Cis double bond interaction involving tertiary butyl group BENSON" -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 C 0 {1,S} {7,S} {8,S} {9,S} -4 H 0 {1,S} -5 C 0 {2,S} {10,S} {11,S} {12,S} -6 H 0 {2,S} -7 R|H 0 {3,S} -8 R|H 0 {3,S} -9 R|H 0 {3,S} -10 R|H 0 {5,S} -11 R 0 {5,S} -12 R 0 {5,S} - -8 double_cis 3.00 0.0 -1.34 -1.09 -0.81 -0.61 -0.39 -0.26 0.0 "2 Cis interactions around a double bond BENSON" -1 * C 0 {2,Dcis} {3,S} {4,S} -2 * C 0 {1,Dcis} {5,S} {6,S} -3 R|H 0 {1,S} -4 R|H 0 {1,S} -5 R|H 0 {2,S} -6 R|H 0 {2,S} - -9 ortho 0.57 -1.61 1.12 1.35 1.30 1.17 0.88 0.66 -0.05 "Ortho correction from BENSON" -1 * C 0 {2,B} {3,B} {4,S} -2 * C 0 {1,B} {5,B} {6,S} -3 C 0 {1,B} -4 R|H 0 {1,S} -5 C 0 {2,B} -6 R|H 0 {2,S} - -10 ketene 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "All the corrections from this family are from Sumathi & Green, J. Phys. Chem. A, 2002, 106, 7937-7949" -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 R 0 {1,S} -4 R 0 {1,S} -5 O 0 {2,D} - -11 ketene_1C-C_1C-H -0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "This is correction NN1 from Sumathi & Green, J. Phys. Chem. A, 2002, 106, 7937-7949" -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 {Cs,Cd} 0 {1,S} {6,S} -4 C 0 {1,S} {7,S} {8,S} {9,S} -5 O 0 {2,D} -6 C 0 {3,S} -7 H 0 {4,S} -8 H 0 {4,S} -9 H 0 {4,S} - -12 ketene_2C-H 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "This is correction NN0 from Sumathi & Green, J. Phys. Chem. A, 2002, 106, 7937-7949" -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 C 0 {1,S} {6,S} {7,S} {8,S} -4 C 0 {1,S} {9,S} {10,S} {11,S} -5 O 0 {2,D} -6 H 0 {3,S} -7 H 0 {3,S} -8 H 0 {3,S} -9 H 0 {4,S} -10 H 0 {4,S} -11 H 0 {4,S} - -13 ketene_2C-C -1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "This is correction NN2 from Sumathi & Green, J. Phys. Chem. A, 2002, 106, 7937-7949" -1 * C 0 {2,D} {3,S} {4,S} -2 C 0 {1,D} {5,D} -3 {Cs,Cd} 0 {1,S} {6,S} -4 {Cs,Cd} 0 {1,S} {7,S} -5 O 0 {2,D} -6 C 0 {3,S} -7 C 0 {4,S} - -14 biketene -0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "This is correction NN3 from Sumathi & Green, J. Phys. Chem. A, 2002, 106, 7937-7949" -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 * C 0 {1,S} {6,D} -3 * C 0 {1,S} {8,D} -4 R|H 0 {1,S} -5 R|H 0 {1,S} -6 C 0 {2,D} {10,D} -7 R 0 {2,S} -8 C 0 {3,D} {11,D} -9 R 0 {3,S} -10 O 0 {6,D} -11 O 0 {8,D} diff --git a/output/RMG_database_sulfur/thermo_groups/backup/Other_Tree.txt b/output/RMG_database_sulfur/thermo_groups/backup/Other_Tree.txt deleted file mode 100644 index 7410e3e8ba..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/backup/Other_Tree.txt +++ /dev/null @@ -1,27 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// Other Corrections Tree -// -// Joanna Yu -// Dec 12 -// -///////////////////////////////////////////////////////////////////// - -L0: R - -L1: cis - L2: 2-ene_cis - L3: 2-butene_cis - L3: t-butyl_cis_2-ene - L2: higher-ene_cis - L3: t-butyl_cis - L4: t-butyl_cis_t-butyl - -L1: double_cis - -L1: ortho - -L1: ketene - L2: ketene_1C-C_1C-H - L2: ketene_2C-H - L2: ketene_2C-C - L2: biketene diff --git a/output/RMG_database_sulfur/thermo_groups/backup/Radical_Corrections.txt b/output/RMG_database_sulfur/thermo_groups/backup/Radical_Corrections.txt deleted file mode 100644 index bb47f78013..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/backup/Radical_Corrections.txt +++ /dev/null @@ -1,257 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// HBI Library -// Joanna Yu -// Oct. 29 -// -// Jing Song: get rid of the dots following the index -// Nov. 7, 2002 -///////////////////////////////////////////////////////////////////// - - -// H in kcal/mol S and Cps is cal/mol K -// ALL THE VALUES FOR Cp(1500K) were taken to be equal to Cp(1000K) -// Reference for all data: Lay, Bozzelli, Dean, Ritter, J. Phys. Chem., 99, p14514, 1995 - -// # Radical H S Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 Note - -///////////////Primary Radicals - -//1 P 101.1 2.79 -0.64 -1.29 -1.91 -2.44 -3.24 -3.82 -3.82 "Generic primary radical. Can be seen as the father of this group" -//1 * C 1 {2,S} {3,S} {4,S} -//2 C 0 {1,S} -//3 H 0 {1,S} -//4 H 0 {1,S} - -2 CCJ 101.1 2.61 -0.65 -1.21 -.175 -2.24 -3.02 -3.63 -3.63 -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} - -3 RCCJ 101.1 2.61 -0.77 -1.36 -1.91 -2.4 -3.16 -3.74 -3.74 -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} - -4 Isobutyl 101.1 2.91 -0.54 -1.26 -1.92 -2.46 -3.27 -3.84 -3.84 -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} -6 C 0 {2,S} -7 H 0 {2,S} - -5 Neopentyl 101.1 3.03 -0.59 -1.32 -2.05 -2.65 -3.5 -4.06 -4.06 -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} -6 C 0 {2,S} -7 C 0 {2,S} - -6 Benzyl_P 88.5 -4.74 0.75 0.60 0.13 -0.42 -1.41 -2.18 -2.18 // Not sure if this is a son of P -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,B} {6,B} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,B} -6 C 0 {2,B} - -/////////Secondary Radicals - -7 S 98.45 4.85 -1.52 -2.76 -3.48 -3.89 -4.35 -4.64 -4.64 "Generic secondary radical. Can be seen as a father to radicals 6-8" -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 H 0 {1,S} - -8 CCJC 98.45 4.51 -1.30 -2.36 -3.02 -3.44 -3.98 -4.36 -4.36 -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 C 0 {1,S} {8,S} {9,S} {10,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 H 0 {3,S} -9 H 0 {3,S} -10 H 0 {3,S} - -9 RCCJC 98.45 5.13 -1.54 -2.77 -3.49 -3.9 -4.35 -4.64 -4.64 -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 C 0 {1,S} {8,S} {9,S} {10,S} -4 H 0 {1,S} -5 C 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 H 0 {3,S} -9 H 0 {3,S} -10 H 0 {3,S} - -10 RCCJCC 98.45 4.90 -1.71 -3.14 -3.92 -4.33 -4.71 -4.92 -4.92 -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 C 0 {1,S} {8,S} {9,S} {10,S} -4 H 0 {1,S} -5 C 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 C 0 {3,S} -9 H 0 {3,S} -10 H 0 {3,S} - -11 Benzyl_S 85.9 -5.04 0.87 0.09 -0.63 -1.21 -2.07 -2.69 -2.69 // Not sure if this is a son of S -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,B} {6,B} -3 C 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,B} -6 C 0 {2,B} - -/////////Tertiary Radicals - -12 TertalkylL 96.3 5.24 -0.78 -2.48 -3.55 -4.15 -4.15 -4.75 -5.02 -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} - -13 Benzyl_T 83.8 -5.34 0.27 -0.78 -1.54 -2.06 -2.74 -3.19 -3.19 -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,B} {6,B} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {2,B} -6 C 0 {2,B} - -//////////Others - -14 Vin 111.2 1.39 -0.19 -0.75 -1.36 -1.92 -2.82 -3.49 -3.49 -1 * C 1 {2,D} {3,S} -2 C 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 R 0 {2,S} -5 R 0 {2,S} - -15 Vins 109.0 1.81 -0.34 -1.21 -1.94 -2.52 -3.34 -3.91 -3.91 -1 * C 1 {2,D} {3,S} -2 C 0 {1,D} {4,S} {5,S} -3 C 0 {1,S} {6,S} {7,S} {8,S} -4 R 0 {2,S} -5 R 0 {2,S} -6 R 0 {3,S} -7 R 0 {3,S} -8 R 0 {3,S} - -16 C=C=CJ 89.0 1.29 -0.45 -1.05 -1.64 -2.15 -2.98 -3.6 -3.6 -1 * C 1 {2,D} {3,S} -2 C 0 {1,D} {4,D} -3 H 0 {1,S} -4 C 0 {2,D} - -17 Allyl_P 88.2 -2.56 -0.62 -0.56 -0.78 -1.12 -1.84 -2.46 -2.46 -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,D} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} {7,S} {8,S} -6 R 0 {2,S} -7 R 0 {5,S} -8 R 0 {5,S} - -18 C=CC=CCJ 80.0 -1.55 -1.83 -1.86 -1.98 -1.99 -2.3 -2.5 -2.5 -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,D} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} {7,S} {8,S} -6 R 0 {2,S} -7 C 0 {5,S} {9,D} {10,S} -8 R 0 {5,S} -9 C 0 {7,D} -10 R 0 {7,S} - -19 CTCC=CCJ 81.0 -3.55 -1.09 -1.62 -2.01 -2.63 -3.07 -3.48 -3.48 -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,D} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} {7,S} {8,S} -6 R 0 {2,S} -7 C 0 {5,S} {9,T} -8 R 0 {5,S} -9 C 0 {7,T} - -20 Allyl_S 85.6 -3.81 -1.54 -1.82 -2.08 -2.32 -2.75 -3.14 -3.14 -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,D} {6,S} -3 C 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} -6 R 0 {2,S} - -21 Allyl_T 83.4 -3.69 -1.79 -2.38 -2.74 -2.97 -3.28 -3.55 -3.55 -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,D} {6,S} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {2,D} -6 R 0 {2,S} - -22 Acetyl 132.7 2.11 -0.51 -1.56 -2.27 -2.78 -3.47 -3.97 -3.97 -1 * C 1 {2,T} -2 C 0 {1,T} - -23 Propargyl 89.4 -0.51 -0.84 -1.17 -1.56 -1.95 -2.7 -3.31 -3.31 -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,T} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,T} - - -24 Sec_Propargyl 87.0 -0.45 -0.59 -1.2 -1.75 -2.19 -2.91 -3.49 -3.49 -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,T} -3 C 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,T} - -25 Tert_Propargyl 84.5 1.48 -0.04 -1.01 -1.74 -2.41 -3.19 -3.65 -3.65 -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,T} -3 C 0 {1,S} -4 C 0 {1,S} -5 C 0 {2,T} - -26 C=CJC=C 99.8 0.71 0.19 -0.76 -1.51 -2.01 -2.7 -3.17 -3.17 -1 * C 1 {2,D} {3,S} -2 C 0 {1,D} -3 C 0 {1,S} {4,D} {5,S} -4 C 0 {3,D} -5 R 0 {3,S} - -27 C=CCJC=C 76.0 -4.05 -2.13 -1.96 -1.88 -1.89 -2.2 -2.6 -2.6 -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,D} {6,S} -3 C 0 {1,S} {7,D} {8,S} -4 H 0 {1,S} -5 C 0 {2,D} -6 R 0 {2,S} -7 C 0 {3,D} -8 R 0 {3,S} - - - - - \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/backup/Radical_Dictionary.txt b/output/RMG_database_sulfur/thermo_groups/backup/Radical_Dictionary.txt deleted file mode 100644 index 14d41de19b..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/backup/Radical_Dictionary.txt +++ /dev/null @@ -1,430 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// HBI Dictionary -// Joanna Yu -// Dec 16 -// -// August 12, 2003: Differentiation between triplet and singlet bira- -// dicals. A triplet is explicitly identified as -// having 2t free electrons, and a singlet as having -// 2s free electrons. -///////////////////////////////////////////////////////////////////// - -Radical -Union {RJ, RJ2, RJ3} - -RJ -1 * R 1 - -CJ -1 * C 1 - -CsJ -1 * C 1 {2,S} {3,S} {4,S} -2 R 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} - -CH3 -1 * C 1 {2,S} {3,S} {4,S} -2 H 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs_P -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -CsCsJ -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 R 0 {2,S} -6 R 0 {2,S} -7 R 0 {2,S} - -CCJ -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} - -RCCJ -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} - - -Isobutyl -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} -6 C 0 {2,S} -7 H 0 {2,S} - -Neopentyl -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,S} -6 C 0 {2,S} -7 C 0 {2,S} - -Benzyl_P -1 * C 1 {2,S} {3,S} {4,S} -2 Cb 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Allyl_P -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -C=CC=CCJ -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,D} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} {7,S} {8,S} -6 R 0 {2,S} -7 Cd 0 {5,S} -8 R 0 {5,S} - - -CTCC=CCJ -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,D} {6,S} -3 H 0 {1,S} -4 H 0 {1,S} -5 C 0 {2,D} {7,S} {8,S} -6 R 0 {2,S} -7 Ct 0 {5,S} -8 R 0 {5,S} - -Propargyl -1 * C 1 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 H 0 {1,S} -4 H 0 {1,S} - -Cs_S -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 H 0 {1,S} - -(Cs)2CsJ -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -CCJC -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 C 0 {1,S} {8,S} {9,S} {10,S} -4 H 0 {1,S} -5 H 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 H 0 {3,S} -9 H 0 {3,S} -10 H 0 {3,S} - -RCCJC -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 C 0 {1,S} {8,S} {9,S} {10,S} -4 H 0 {1,S} -5 C 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 H 0 {3,S} -9 H 0 {3,S} -10 H 0 {3,S} - -RCCJCC -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} {5,S} {6,S} {7,S} -3 C 0 {1,S} {8,S} {9,S} {10,S} -4 H 0 {1,S} -5 C 0 {2,S} -6 H 0 {2,S} -7 H 0 {2,S} -8 C 0 {3,S} -9 H 0 {3,S} -10 H 0 {3,S} - -Benzyl_S -1 * C 1 {2,S} {3,S} {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Allyl_S -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -C=CCJC=C -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 Cd 0 {1,S} -4 H 0 {1,S} - -Sec_Propargyl -1 * C 1 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 H 0 {1,S} - -Cs_T -1 * C 1 {2,S} {3,S} {4,S} -2 C 0 {1,S} -3 C 0 {1,S} -4 C 0 {1,S} - -Tertalkyl -1 * C 1 {2,S} {3,S} {4,S} -2 Cs 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -Benzyl_T -1 * C 1 {2,S} {3,S} {4,S} -2 Cb 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - - -Allyl_T -1 * C 1 {2,S} {3,S} {4,S} -2 Cd 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - - -Tert_Propargyl -1 * C 1 {2,S} {3,S} {4,S} -2 Ct 0 {1,S} -3 Cs 0 {1,S} -4 Cs 0 {1,S} - -CdsJ -1 * C 1 {2,D} {3,S} -2 C 0 {1,D} -3 R 0 {1,S} - -Cds_P -1 * C 1 {2,D} {3,S} -2 C 0 {1,D} -3 H 0 {1,S} - -Vin -1 * C 1 {2,D} {3,S} -2 C 0 {1,D} {4,S} {5,S} -3 H 0 {1,S} -4 R 0 {2,S} -5 R 0 {2,S} - -C=C=CJ -1 * C 1 {2,D} {3,S} -2 C 0 {1,D} {4,D} -3 H 0 {1,S} -4 C 0 {2,D} - -Cds_S -1 * C 1 {2,D} {3,S} -2 C 0 {1,D} -3 C 0 {1,S} - -Vins -1 * C 1 {2,D} {3,S} -2 C 0 {1,D} {4,S} {5,S} -3 C 0 {1,S} {6,S} {7,S} {8,S} -4 R 0 {2,S} -5 R 0 {2,S} -6 R 0 {3,S} -7 R 0 {3,S} -8 R 0 {3,S} - -C=CJC=C -1 * C 1 {2,D} {3,S} -2 Cd 0 {1,D} -3 C 0 {1,S} {4,D} {5,S} -4 R 0 {3,D} -5 R 0 {3,S} - -CtJ -1 * C 1 {2,T} -2 C 0 {1,T} - -Acetyl -1 * C 1 {2,T} -2 C 0 {1,T} {3,S} -3 H 0 {2,S} - -CbJ -1 * C 1 {2,B} {3,B} -2 C 0 {1,B} -3 C 0 {1,B} - - -OJ -1 * O 1 - -RJ2 -1 * R 2 - -CJ2 -1 * C 2 - -CsJ2 -1 * C 2 {2,S} {3,S} -2 R 0 {1,S} -3 R 0 {1,S} - -CH2 -1 * C 2 {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -CH2_t -1 * C 2t {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -CH2_s -1 * C 2s {2,S} {3,S} -2 H 0 {1,S} -3 H 0 {1,S} - -CsJ2_P -1 * C 2 {2,S} {3,S} -2 C 0 {1,S} -3 H 0 {1,S} - -CsCsJ2 -1 * C 2 {2,S} {3,S} -2 Cs 0 {1,S} -3 H 0 {1,S} - -CCJ2 -1 * C 2 {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -CCJ2_t -1 * C 2t {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -CCJ2_s -1 * C 2s {2,S} {3,S} -2 Cs 0 {1,S} {4,S} {5,S} {6,S} -3 H 0 {1,S} -4 H 0 {2,S} -5 H 0 {2,S} -6 H 0 {2,S} - -PhCH -1 * C 2 {2,S} {3,S} -2 Cb 0 {1,S} -3 H 0 {1,S} - -PhCH_t -1 * C 2t {2,S} {3,S} -2 Cb 0 {1,S} -3 H 0 {1,S} - -PhCH_s -1 * C 2s {2,S} {3,S} -2 Cb 0 {1,S} -3 H 0 {1,S} - -AllylJ2 -1 * C 2 {2,S} {3,S} -2 Cd 0 {1,S} -3 H 0 {1,S} - -AllylJ2_t -1 * C 2t {2,S} {3,S} -2 Cd 0 {1,S} -3 H 0 {1,S} - - -AllylJ2_s -1 * C 2s {2,S} {3,S} -2 Cd 0 {1,S} -3 H 0 {1,S} - -CsJ2_S -1 * C 2 {2,S} {3,S} -2 C 0 {1,S} -3 C 0 {1,S} - -CdJ2 -1 * C 2 {2,D} -2 R 0 {1,D} - -CCdJ2 -1 * C 2 {2,D} -2 C 0 {1,D} - -CCdJ2_t -1 * C 2t {2,D} -2 C 0 {1,D} - -CCdJ2_s -1 * C 2s {2,D} -2 C 0 {1,D} - -CO -1 * C 2 {2,D} -2 O 0 {1,D} - -Oa -1 * O 2 - -Oa_t -1 * O 2t - -Oa_s -1 * O 2s - -RJ3 -1 * R 3 - -CJ3 -1 * C 3 - - - - - - - - - - \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/backup/Radical_Library.txt b/output/RMG_database_sulfur/thermo_groups/backup/Radical_Library.txt deleted file mode 100644 index f8c3117612..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/backup/Radical_Library.txt +++ /dev/null @@ -1,70 +0,0 @@ -//# Group H S Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 Note -0 Radical RJ -1 RJ CJ -2 CJ CsJ -3 CsJ Cs_P -4 CH3 104.81 0.52 0.71 0.34 -0.33 -1.07 -2.43 -3.54 -5.43 Calculated in relation to methane from NIST values -5 Cs_P 101.1 2.79 -0.64 -1.29 -1.91 -2.44 -3.24 -3.82 -3.82 Generic primary radical. Can be seen as the father of this group -6 CsCsJ Cs_P -7 CCJ 101.1 2.61 -0.65 -1.21 -1.75 -2.24 -3.02 -3.63 -3.63 -8 RCCJ 101.1 2.61 -0.77 -1.36 -1.91 -2.4 -3.16 -3.74 -3.74 -9 Isobutyl 101.1 2.91 -0.54 -1.26 -1.92 -2.46 -3.27 -3.84 -3.84 -10 Neopentyl 101.1 3.03 -0.59 -1.32 -2.05 -2.65 -3.5 -4.06 -4.06 -11 Benzyl_P 88.5 -4.74 0.75 0.6 0.13 -0.42 -1.41 -2.18 -2.18 -12 Allyl_P 88.2 -2.56 -0.62 -0.56 -0.78 -1.12 -1.84 -2.46 -2.46 -13 C=CC=CCJ 80.0 -1.55 -1.83 -1.86 -1.98 -1.99 -2.3 -2.5 -2.5 -14 CTCC=CCJ 81.0 -3.55 -1.09 -1.62 -2.01 -2.63 -3.07 -3.48 -3.48 -15 Propargyl 89.4 -0.51 -0.84 -1.17 -1.56 -1.95 -2.7 -3.31 -3.31 -16 Cs_S 98.45 4.85 -1.52 -2.76 -3.48 -3.89 -4.35 -4.64 -4.64 Generic secondary radical. Can be seen as a father to radicals 8-Jun -17 (Cs)2CsJ Cs_S -18 CCJC 98.45 4.51 -1.3 -2.36 -3.02 -3.44 -3.98 -4.36 -4.36 -19 RCCJC 98.45 5.13 -1.54 -2.77 -3.49 -3.9 -4.35 -4.64 -4.64 -20 RCCJCC 98.45 4.9 -1.71 -3.14 -3.92 -4.33 -4.71 -4.92 -4.92 -21 Benzyl_S 85.9 -5.04 0.87 0.09 -0.63 -1.21 -2.07 -2.69 -2.69 -22 Allyl_S 85.6 -3.81 -1.54 -1.82 -2.08 -2.32 -2.75 -3.14 -3.14 -23 C=CCJC=C 76.0 -4.05 -2.13 -1.96 -1.88 -1.89 -2.2 -2.6 -2.6 -24 Sec_Propargyl 87.0 -0.45 -0.59 -1.2 -1.75 -2.19 -2.91 -3.49 -3.49 -25 Cs_T Tertalkyl -26 Tertalkyl 96.3 5.24 -0.78 -2.48 -3.55 -4.15 -4.15 -4.75 -5.02 -27 Benzyl_T 83.8 -5.34 0.27 -0.78 -1.54 -2.06 -2.74 -3.19 -3.19 -28 Allyl_T 83.4 -3.69 -1.79 -2.38 -2.74 -2.97 -3.28 -3.55 -3.55 -29 Tert_Propargyl 84.5 1.48 -0.04 -1.01 -1.74 -2.41 -3.19 -3.65 -3.65 -30 CdsJ Cds_P -31 Cds_P Vin -32 Vin 111.2 1.39 -0.19 -0.75 -1.36 -1.92 -2.82 -3.49 -3.49 -33 C=C=CJ 89.0 1.29 -0.45 -1.05 -1.64 -2.15 -2.98 -3.6 -3.6 -34 Cds_S Vins -35 Vins 109.0 1.81 -0.34 -1.21 -1.94 -2.52 -3.34 -3.91 -3.91 -36 C=CJC=C 99.8 0.71 0.19 -0.76 -1.51 -2.01 -2.7 -3.17 -3.17 -37 CtJ Acetyl -38 Acetyl 132.7 2.11 -0.51 -1.56 -2.27 -2.78 -3.47 -3.97 -3.97 -39 CbJ 113.0 1.48 -0.41 -1.18 -1.93 -2.69 -3.75 -4.48 -5.24 "Tsang, W." -40 OJ 104.06 -1.46 -0.98 -1.3 -1.61 -1.89 -2.38 -2.8 -3.59 "Oxygen radical, using ALKOXY S&Cp:04-94, CH3OH =3D> CH3O + H, Hf mg." -41 RJ2 CJ2 -42 CJ2 CsJ2 -43 CsJ2 CH2 -44 CH2 CH2_t -45 CH2_t 214.44 -1.73 -0.27 -1.08 -2.14 -3.23 -5.18 -6.74 -9.47 Calculated for methylene in relation to methane from NIST values -46 CH2_s 223.7 -1.73 -0.27 -1.08 -2.14 -3.23 -5.18 -6.74 -9.47 BDE from Janoschek, R., Rossi, M. J., Int. J. Chem. Kinet., 34:550-560, 2002. S and Cp from CH2_t. -47 CsJ2_P CsCsJ2 -48 CsCsJ2 CCJ2 -49 CCJ2 CCJ2_t -50 CCJ2_t 211.3 0.0 -0.81 -1.74 -2.69 -3.61 -5.18 -6.42 -8.36 BDE and Cp calculated from data in Kim, G.-S., Nguyen, T. L., Mebel, A. M., Lin, S. H., Nguyen, M. T., J. Phys. Chem. A., 2003, 107, 1788-1796 -51 CCJ2_s CCJ2_t -52 PhCH PhCH_t -53 PhCH_t 195.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 BDE from Putsma, J. C., Nash, J. J., Paulino, J. A., Squires, R. R., J. Am. Chem. Soc. 1997, 119, 4686-4697 -54 PhCH_s 205.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 BDE from Nguyen, T. L., Kim, G.-S., Mebel, A. M., Nguyen, M. T., Chemical Physics Letters 349 (2001) 571-577 -55 AllylJ2 AllylJ2_t -56 AllylJ2_t 192.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 BDE from Putsma, J. C., Nash, J. J., Paulino, J. A., Squires, R. R., J. Am. Chem. Soc. 1997, 119, 4686-4697 -57 AllylJ2_s AllylJ2_t -58 CsJ2_S CsJ2_P -59 CdJ2 CCdJ2 -60 CCdJ2 CCdJ2_s -61 CCdJ2_t CCdJ2_s -62 CCdJ2_s 190.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 BDE from Erwin et al., J. Am. Chem. Soc. 1990, 112, 5750-5759 -63 CO 105.48 -6.47 -1.50 -2.38 -3.32 -4.24 -5.75 -6.88 -8.59 Value for carbon monoxide calculated in relation to formaldehyde from NIST values -64 Oa Oa_t -65 Oa_t 221.55 -8.02 -2.80 -3.05 -3.33 -3.62 -4.24 -4.86 -6.28 Calculated for atomic oxygen in relation to water from NIST values -66 Oa_s 266.9 -8.02 -2.80 -3.05 -3.33 -3.62 -4.24 -4.86 -6.28 BDE from Schalley, C. A. et al., Eur. J. Org. Chem. 1998, 987-1009. S and Cp values taken from Oa_t -67 RJ3 CJ3 -68 CJ3 316.19 -5.70 -1.57 -2.73 -4.11 -5.50 -7.92 -9.85 -12.95 Calculated for methylidyene in relation to methane from NIST values diff --git a/output/RMG_database_sulfur/thermo_groups/backup/Radical_Tree.txt b/output/RMG_database_sulfur/thermo_groups/backup/Radical_Tree.txt deleted file mode 100644 index b2ff2b7f42..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/backup/Radical_Tree.txt +++ /dev/null @@ -1,130 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// Radical Tree -// -// Joanna Yu -// Dec 16 -// -// March 21, 2003: Added bi- and tri-radicals -// August 12, 2003: Differentiated between singlet or triplet -// -///////////////////////////////////////////////////////////////////// - - -////////////////////////////////////////////////////////////////// -//Thermo Nomenclature -// -//C Carbon atom, bonds are still not defined -//Ct Carbon atom with one triple bond and one single bond -//Cs Carbon atom with four single bonds -//Cd Carbon atom with one double bond and the rest not defined -//Cdd Carbon atom with two double bonds -//Cds Carbon atom with one double bond and two single bonds -//Cb Carbon atom belonging to a benzene ring -//Cbf Carbon atom belonging to a fused benzene ring -//H Hydrogen atom -//Os Oxygen atom with two single bonds -//Od Oxygen atom with one double bond -////////////////////////////////////////////////////////////////// - -L0: Radical - -L1: RJ - - L2: CJ // any carbon radical - - L3: CsJ // originally sp3 central carbon - - L4: CH3 // methyl readical - - L4: Cs_P // primary radical - L5: CsCsJ - L6: CCJ - L6: RCCJ - L6: Isobutyl - L6: Neopentyl - L5: Benzyl_P - L5: Allyl_P - L6: C=CC=CCJ - L6: CTCC=CCJ - L5: Propargyl - - - L4: Cs_S // secondary radical - L5: (Cs)2CsJ - L6: CCJC - L6: RCCJC - L6: RCCJCC - L5: Benzyl_S - L5: Allyl_S - L5: C=CCJC=C - L5: Sec_Propargyl - - L4: Cs_T // tertiary radical - L5: Tertalkyl - L5: Benzyl_T - L5: Allyl_T - L5: Tert_Propargyl - - L3: CdsJ // sp2 central carbon - - L4: Cds_P - L5: Vin - L5: C=C=CJ - - L4: Cds_S - L5: Vins - L5: C=CJC=C - - L3: CtJ // sp central carbon - - L4: Acetyl - - L3: CbJ - - L2: OJ // any carbon radical - - -L1: RJ2 // biradicals - - L2: CJ2 - - L3: CsJ2 - - L4: CH2 - L5: CH2_t // triplet - L5: CH2_s // singlet - - L4: CsJ2_P - L5: CsCsJ2 - L6: CCJ2 - L7: CCJ2_t - L7: CCJ2_s - - L5: PhCH - L6: PhCH_t - L6: PhCH_s - - L5: AllylJ2 - L6: AllylJ2_t - L6: AllylJ2_s - - L4: CsJ2_S - - L3: CdJ2 - - L4: CCdJ2 - L5: CCdJ2_t - L5: CCdJ2_s - L4: CO // carbon monoxide - - L2: Oa - L2: Oa_t - L2: Oa_s - -L1: RJ3 // triradicals - - L2: CJ3 - - - - diff --git a/output/RMG_database_sulfur/thermo_groups/backup/Ring_Corrections.txt b/output/RMG_database_sulfur/thermo_groups/backup/Ring_Corrections.txt deleted file mode 100644 index f8f3eb2015..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/backup/Ring_Corrections.txt +++ /dev/null @@ -1,1433 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// Ring Correction Library -// Joanna Yu -// -// Jing Song: get rid of the dots following the index -// Nov 7, 2002 -///////////////////////////////////////////////////////////////////// - -// Each entry is associated with a number, the name of the ring, its formula, the symmetry, followed by the correction values, -// and in the next line the corresponding adjacency list. -// The atoms that are part of the ring are marked by a * -// Sigma (symmetry) numbers of 0 are values that I put in. - -// Types of bonds present in this list: -// S, D, Dcis, Dtrans, B - -// H in kcal/mol S and Cps is cal/mol K - -// # Ring Formula Sigma H S Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 Note - -//////////// Hydrocarbon rings - -1 Cyclopropane C3R6 6 27.6 32.1 -3.05 -2.53 -2.10 -1.90 -1.77 -1.62 -1.52 "Cyclopropane ring BENSON" -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 * C 0 {1,S} {3,S} {6,S} {7,S} -3 * C 0 {1,S} {2,S} {8,S} {9,S} -4 R 0 {1,S} -5 R 0 {1,S} -6 R 0 {2,S} -7 R 0 {2,S} -8 R 0 {3,S} -9 R 0 {3,S} - -2 Cyclopropene C3R4 2 53.7 33.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclopropene ring BENSON" -1 * C 0 {2,D} {3,S} {4,S} -2 * C 0 {1,D} {3,S} {5,S} -3 * C 0 {1,S} {2,S} {6,S} {7,S} -4 R 0 {1,S} -5 R 0 {2,S} -6 R 0 {3,S} -7 R 0 {3,S} - -3 Methylene_cyclopropane C4R6 0 41.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Methylene cyclopropane ring BENSON" -1 * C 0 {2,S} {3,S} {5,S} {6,S} -2 * C 0 {1,S} {3,S} {7,S} {8,S} -3 * C 0 {1,S} {2,S} {4,D} -4 C 0 {3,D} -5 R 0 {1,S} -6 R 0 {1,S} -7 R 0 {2,S} -8 R 0 {2,S} -9 R 0 {4,S} -10 R 0 {4,S} - -4 Cyclobutane C4R8 8 26.2 29.8 -4.61 -3.89 -3.14 -2.64 -1.88 -1.38 -0.67 "Cyclobutane ring BENSON" -1 * C 0 {2,S} {4,S} {5,S} {6,S} -2 * C 0 {1,S} {3,S} {7,S} {8,S} -3 * C 0 {2,S} {4,S} {9,S} {10,S} -4 * C 0 {1,S} {3,S} {11,S} {12,S} -5 R 0 {1,S} -6 R 0 {1,S} -7 R 0 {2,S} -8 R 0 {2,S} -9 R 0 {3,S} -10 R 0 {3,S} -11 R 0 {4,S} -12 R 0 {4,S} - -5 Cyclobutene C4R6 2 29.8 29.0 -2.53 -2.19 -1.89 -1.68 -1.48 -1.33 -1.22 "Cyclobutene ring BENSON" -1 * C 0 {2,D} {3,S} {5,S} -2 * C 0 {1,D} {3,S} {6,S} -3 * C 0 {2,S} {4,S} {7,S} {8,S} -4 * C 0 {1,S} {3,S} {9,S} {10,S} -5 R 0 {1,S} -6 R 0 {2,S} -7 R 0 {3,S} -8 R 0 {3,S} -9 R 0 {4,S} -10 R 0 {4,S} - -6 Cyclopentane C5R10 10 6.3 27.3 -6.50 -5.5 -4.5 -3.8 -2.8 -1.93 -0.37 "Cyclopentane ring BENSON" -1 * C 0 {2,S} {5,S} {6,S} {7,S} -2 * C 0 {1,S} {3,S} {8,S} {9,S} -3 * C 0 {2,S} {4,S} {10,S} {11,S} -4 * C 0 {3,S} {5,S} {12,S} {13,S} -5 * C 0 {1,S} {4,S} {14,S} {15,S} -6 R 0 {1,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {2,S} -10 R 0 {3,S} -11 R 0 {3,S} -12 R 0 {4,S} -13 R 0 {4,S} -14 R 0 {5,S} -15 R 0 {5,S} - -7 Cyclopentene C5R8 2 5.9 25.8 -5.98 -5.35 -4.89 -4.14 -2.93 -2.26 -1.08 "Cyclopentene ring BENSON" -1 * C 0 {2,D} {5,S} {6,S} -2 * C 0 {1,D} {3,S} {7,S} -3 * C 0 {2,S} {4,S} {8,S} {9,S} -4 * C 0 {3,S} {5,S} {10,S} {11,S} -5 * C 0 {1,S} {4,S} {12,S} {13,S} -6 R 0 {1,S} -7 R 0 {2,S} -8 R 0 {3,S} -9 R 0 {3,S} -10 R 0 {4,S} -11 R 0 {4,S} -12 R 0 {5,S} -13 R 0 {5,S} - -8 Cyclopentadiene C5R6 2 6.0 28.0 -4.3 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclopentadiene ring BENSON" -1 * C 0 {2,D} {5,S} {6,S} -2 * C 0 {1,D} {3,S} {7,S} -3 * C 0 {2,S} {4,D} {8,S} -4 * C 0 {3,D} {5,S} {9,S} -5 * C 0 {1,S} {4,S} {10,S} {11,S} -6 R 0 {1,S} -7 R 0 {2,S} -8 R 0 {3,S} -9 R 0 {4,S} -10 R 0 {5,S} -11 R 0 {5,S} - -9 Cyclohexane C6R12 6 0 18.8 -5.8 -4.1 -2.9 -1.3 1.1 2.2 3.3 "Cyclohexane ring BENSON" -1 * C 0 {2,S} {6,S} {7,S} {8,S} -2 * C 0 {1,S} {3,S} {9,S} {10,S} -3 * C 0 {2,S} {4,S} {11,S} {12,S} -4 * C 0 {3,S} {5,S} {13,S} {14,S} -5 * C 0 {4,S} {6,S} {15,S} {16,S} -6 * C 0 {1,S} {5,S} {17,S} {18,S} -7 R 0 {1,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {3,S} -13 R 0 {4,S} -14 R 0 {4,S} -15 R 0 {5,S} -16 R 0 {5,S} -17 R 0 {6,S} -18 R 0 {6,S} - -10 Cyclohexene C6R10 2 1.4 21.5 -4.28 -3.04 -1.98 -1.43 -0.29 0.08 0.81 "Cyclohexene ring BENSON" -1 * C 0 {2,D} {6,S} {7,S} -2 * C 0 {1,D} {3,S} {8,S} -3 * C 0 {2,S} {4,S} {9,S} {10,S} -4 * C 0 {3,S} {5,S} {11,S} {12,S} -5 * C 0 {4,S} {6,S} {13,S} {14,S} -6 * C 0 {1,S} {5,S} {15,S} {16,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {3,S} -10 R 0 {3,S} -11 R 0 {4,S} -12 R 0 {4,S} -13 R 0 {5,S} -14 R 0 {5,S} -15 R 0 {6,S} -16 R 0 {6,S} - -11 1,3-Cyclohexadiene C6R8 0 4.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3-Cyclohexadiene ring BENSON" -1 * C 0 {2,D} {6,S} {7,S} -2 * C 0 {1,D} {3,S} {8,S} -3 * C 0 {2,S} {4,D} {9,S} -4 * C 0 {3,D} {5,S} {10,S} -5 * C 0 {4,S} {6,S} {11,S} {12,S} -6 * C 0 {1,S} {5,S} {13,S} {14,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {3,S} -10 R 0 {4,S} -11 R 0 {5,S} -12 R 0 {5,S} -13 R 0 {6,S} -14 R 0 {6,S} - -12 1,4-Cyclohexadiene C6R8 0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,4-Cyclohexadiene ring BENSON" -1 * C 0 {2,D} {6,S} {7,S} -2 * C 0 {1,D} {3,S} {8,S} -3 * C 0 {2,S} {4,S} {9,S} {10,S} -4 * C 0 {3,S} {5,D} {11,S} -5 * C 0 {4,D} {6,S} {12,S} -6 * C 0 {1,S} {5,S} {13,S} {14,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {3,S} -10 R 0 {3,S} -11 R 0 {4,S} -12 R 0 {5,S} -13 R 0 {6,S} -14 R 0 {6,S} - -13 Cycloheptane C7R14 1 6.4 15.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cycloheptane ring BENSON" -1 * C 0 {2,S} {7,S} {8,S} {9,S} -2 * C 0 {1,S} {3,S} {10,S} {11,S} -3 * C 0 {2,S} {4,S} {12,S} {13,S} -4 * C 0 {3,S} {5,S} {14,S} {15,S} -5 * C 0 {4,S} {6,S} {16,S} {17,S} -6 * C 0 {5,S} {7,S} {18,S} {19,S} -7 * C 0 {1,S} {6,S} {20,S} {21,S} -8 R 0 {1,S} -9 R 0 {1,S} -10 R 0 {2,S} -11 R 0 {2,S} -12 R 0 {3,S} -13 R 0 {3,S} -14 R 0 {4,S} -15 R 0 {4,S} -16 R 0 {5,S} -17 R 0 {5,S} -18 R 0 {6,S} -19 R 0 {6,S} -20 R 0 {7,S} -21 R 0 {7,S} - -14 Cycloheptene C7R12 0 5.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cycloheptene ring BENSON" -1 * C 0 {2,D} {7,S} {8,S} -2 * C 0 {1,D} {3,S} {9,S} -3 * C 0 {2,S} {4,S} {10,S} {11,S} -4 * C 0 {3,S} {5,S} {12,S} {13,S} -5 * C 0 {4,S} {6,S} {14,S} {15,S} -6 * C 0 {5,S} {7,S} {16,S} {17,S} -7 * C 0 {1,S} {6,S} {18,S} {19,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {3,S} -11 R 0 {3,S} -12 R 0 {4,S} -13 R 0 {4,S} -14 R 0 {5,S} -15 R 0 {5,S} -16 R 0 {6,S} -17 R 0 {6,S} -18 R 0 {7,S} -19 R 0 {7,S} - -15 1,3-Cycloheptadiene C7R10 0 6.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3-Cycloheptadiene ring BENSON" -1 * C 0 {2,D} {7,S} {8,S} -2 * C 0 {1,D} {3,S} {9,S} -3 * C 0 {2,S} {4,D} {10,S} -4 * C 0 {3,D} {5,S} {11,S} -5 * C 0 {4,S} {6,S} {12,S} {13,S} -6 * C 0 {5,S} {7,S} {14,S} {15,S} -7 * C 0 {1,S} {6,S} {16,S} {17,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {3,S} -11 R 0 {4,S} -12 R 0 {5,S} -13 R 0 {5,S} -14 R 0 {6,S} -15 R 0 {6,S} -16 R 0 {7,S} -17 R 0 {7,S} - -16 1,3,5-Cycloheptatriene C7R8 1 4.7 23.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3,5-Cycloheptatriene ring BENSON" -1 * C 0 {2,D} {7,S} {8,S} -2 * C 0 {1,D} {3,S} {9,S} -3 * C 0 {2,S} {4,D} {10,S} -4 * C 0 {3,D} {5,S} {11,S} -5 * C 0 {4,S} {6,D} {12,S} -6 * C 0 {5,D} {7,S} {13,S} -7 * C 0 {1,S} {6,S} {14,S} {15,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {3,S} -11 R 0 {4,S} -12 R 0 {5,S} -13 R 0 {6,S} -14 R 0 {7,S} -15 R 0 {7,S} - -17 Cyclooctane C8R16 8 9.9 16.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclooctane ring BENSON" -1 * C 0 {2,S} {8,S} {9,S} {10,S} -2 * C 0 {1,S} {3,S} {11,S} {12,S} -3 * C 0 {2,S} {4,S} {13,S} {14,S} -4 * C 0 {3,S} {5,S} {15,S} {16,S} -5 * C 0 {4,S} {6,S} {17,S} {18,S} -6 * C 0 {5,S} {7,S} {19,S} {20,S} -7 * C 0 {6,S} {8,S} {21,S} {22,S} -8 * C 0 {1,S} {7,S} {23,S} {24,S} -9 R 0 {1,S} -10 R 0 {1,S} -11 R 0 {2,S} -12 R 0 {2,S} -13 R 0 {3,S} -14 R 0 {3,S} -15 R 0 {4,S} -16 R 0 {4,S} -17 R 0 {5,S} -18 R 0 {5,S} -19 R 0 {6,S} -20 R 0 {6,S} -21 R 0 {7,S} -22 R 0 {7,S} -23 R 0 {8,S} -24 R 0 {8,S} - -18 cis-Cyclooctene C8R14 0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "cis-Cyclooctene ring BENSON" -1 * C 0 {2,Dcis} {8,S} {9,S} -2 * C 0 {1,Dcis} {3,S} {10,S} -3 * C 0 {2,S} {4,S} {11,S} {12,S} -4 * C 0 {3,S} {5,S} {13,S} {14,S} -5 * C 0 {4,S} {6,S} {15,S} {16,S} -6 * C 0 {5,S} {7,S} {17,S} {18,S} -7 * C 0 {6,S} {8,S} {19,S} {20,S} -8 * C 0 {1,S} {7,S} {21,S} {22,S} -9 R 0 {1,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {3,S} -13 R 0 {4,S} -14 R 0 {4,S} -15 R 0 {5,S} -16 R 0 {5,S} -17 R 0 {6,S} -18 R 0 {6,S} -19 R 0 {7,S} -20 R 0 {7,S} -21 R 0 {8,S} -22 R 0 {8,S} - -19 trans-Cyclooctene C8R14 0 15.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "trans-Cyclooctene ring BENSON" -1 * C 0 {2,Dtrans} {8,S} {9,S} -2 * C 0 {1,Dtrans} {3,S} {10,S} -3 * C 0 {2,S} {4,S} {11,S} {12,S} -4 * C 0 {3,S} {5,S} {13,S} {14,S} -5 * C 0 {4,S} {6,S} {15,S} {16,S} -6 * C 0 {5,S} {7,S} {17,S} {18,S} -7 * C 0 {6,S} {8,S} {19,S} {20,S} -8 * C 0 {1,S} {7,S} {21,S} {22,S} -9 R 0 {1,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {3,S} -13 R 0 {4,S} -14 R 0 {4,S} -15 R 0 {5,S} -16 R 0 {5,S} -17 R 0 {6,S} -18 R 0 {6,S} -19 R 0 {7,S} -20 R 0 {7,S} -21 R 0 {8,S} -22 R 0 {8,S} - -20 1,3,5-Cyclooctatriene C8R10 0 8.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3,5-Cyclooctatriene ring BENSON" -1 * C 0 {2,D} {8,S} {9,S} -2 * C 0 {1,D} {3,S} {10,S} -3 * C 0 {2,S} {4,D} {11,S} -4 * C 0 {3,D} {5,S} {12,S} -5 * C 0 {4,S} {6,D} {13,S} -6 * C 0 {5,D} {7,S} {14,S} -7 * C 0 {6,S} {8,S} {15,S} {16,S} -8 * C 0 {1,S} {7,S} {17,S} {18,S} -9 R 0 {1,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {4,S} -13 R 0 {5,S} -14 R 0 {6,S} -15 R 0 {7,S} -16 R 0 {7,S} -17 R 0 {8,S} -18 R 0 {8,S} - -21 Cyclooctatetraene C8R8 0 17.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclooctatetraene ring BENSON" -1 * C 0 {2,D} {8,S} {9,S} -2 * C 0 {1,D} {3,S} {10,S} -3 * C 0 {2,S} {4,D} {11,S} -4 * C 0 {3,D} {5,S} {12,S} -5 * C 0 {4,S} {6,D} {13,S} -6 * C 0 {5,D} {7,S} {14,S} -7 * C 0 {6,S} {8,D} {15,S} -8 * C 0 {1,D} {7,S} {16,S} -9 R 0 {1,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {4,S} -13 R 0 {5,S} -14 R 0 {6,S} -15 R 0 {7,S} -16 R 0 {8,S} - -22 Cyclononane C9R18 0 12.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclononane ring BENSON" -1 * C 0 {2,S} {9,S} {10,S} {11,S} -2 * C 0 {1,S} {3,S} {12,S} {13,S} -3 * C 0 {2,S} {4,S} {14,S} {15,S} -4 * C 0 {3,S} {5,S} {16,S} {17,S} -5 * C 0 {4,S} {6,S} {18,S} {19,S} -6 * C 0 {5,S} {7,S} {20,S} {21,S} -7 * C 0 {6,S} {8,S} {22,S} {23,S} -8 * C 0 {7,S} {9,S} {24,S} {25,S} -9 * C 0 {1,S} {8,S} {26,S} {27,S} -10 R 0 {1,S} -11 R 0 {1,S} -12 R 0 {2,S} -13 R 0 {2,S} -14 R 0 {3,S} -15 R 0 {3,S} -16 R 0 {4,S} -17 R 0 {4,S} -18 R 0 {5,S} -19 R 0 {5,S} -20 R 0 {6,S} -21 R 0 {6,S} -22 R 0 {7,S} -23 R 0 {7,S} -24 R 0 {8,S} -25 R 0 {8,S} -26 R 0 {9,S} -27 R 0 {9,S} - -23 cis-Cyclononene C9R16 0 9.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "cis-Cyclononene ring BENSON" -1 * C 0 {2,Dcis} {9,S} {10,S} -2 * C 0 {1,Dcis} {3,S} {11,S} -3 * C 0 {2,S} {4,S} {12,S} {13,S} -4 * C 0 {3,S} {5,S} {14,S} {15,S} -5 * C 0 {4,S} {6,S} {16,S} {17,S} -6 * C 0 {5,S} {7,S} {18,S} {19,S} -7 * C 0 {6,S} {8,S} {20,S} {21,S} -8 * C 0 {7,S} {9,S} {22,S} {23,S} -9 * C 0 {1,S} {8,S} {24,S} {25,S} -10 R 0 {1,S} -11 R 0 {2,S} -12 R 0 {3,S} -13 R 0 {3,S} -14 R 0 {4,S} -15 R 0 {4,S} -16 R 0 {5,S} -17 R 0 {5,S} -18 R 0 {6,S} -19 R 0 {6,S} -20 R 0 {7,S} -21 R 0 {7,S} -22 R 0 {8,S} -23 R 0 {8,S} -24 R 0 {9,S} -25 R 0 {9,S} - -24 trans-Cyclononene C9R16 0 12.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "trans-Cyclononene ring BENSON" -1 * C 0 {2,Dtrans} {9,S} {10,S} -2 * C 0 {1,Dtrans} {3,S} {11,S} -3 * C 0 {2,S} {4,S} {12,S} {13,S} -4 * C 0 {3,S} {5,S} {14,S} {15,S} -5 * C 0 {4,S} {6,S} {16,S} {17,S} -6 * C 0 {5,S} {7,S} {18,S} {19,S} -7 * C 0 {6,S} {8,S} {20,S} {21,S} -8 * C 0 {7,S} {9,S} {22,S} {23,S} -9 * C 0 {1,S} {8,S} {24,S} {25,S} -10 R 0 {1,S} -11 R 0 {2,S} -12 R 0 {3,S} -13 R 0 {3,S} -14 R 0 {4,S} -15 R 0 {4,S} -16 R 0 {5,S} -17 R 0 {5,S} -18 R 0 {6,S} -19 R 0 {6,S} -20 R 0 {7,S} -21 R 0 {7,S} -22 R 0 {8,S} -23 R 0 {8,S} -24 R 0 {9,S} -25 R 0 {9,S} - -25 Cyclodecane C10R20 0 12.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclodecane ring BENSON" -1 * C 0 {2,S} {10,S} {11,S} {12,S} -2 * C 0 {1,S} {3,S} {12,S} {14,S} -3 * C 0 {2,S} {4,S} {14,S} {16,S} -4 * C 0 {3,S} {5,S} {17,S} {18,S} -5 * C 0 {4,S} {6,S} {19,S} {20,S} -6 * C 0 {5,S} {7,S} {21,S} {22,S} -7 * C 0 {6,S} {8,S} {23,S} {24,S} -8 * C 0 {7,S} {9,S} {25,S} {26,S} -9 * C 0 {8,S} {10,S} {27,S} {28,S} -10 * C 0 {1,S} {9,S} {29,S} {30,S} -11 R 0 {1,S} -12 R 0 {1,S} -13 R 0 {2,S} -14 R 0 {2,S} -15 R 0 {3,S} -16 R 0 {3,S} -17 R 0 {4,S} -18 R 0 {4,S} -19 R 0 {5,S} -20 R 0 {5,S} -21 R 0 {6,S} -22 R 0 {6,S} -23 R 0 {7,S} -24 R 0 {7,S} -25 R 0 {8,S} -26 R 0 {8,S} -27 R 0 {9,S} -28 R 0 {9,S} -29 R 0 {10,S} -30 R 0 {10,S} - -26 Cyclododecane C12R24 0 4.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclododecane ring BENSON" -1 * C 0 {2,S} {12,S} {13,S} {14,S} -2 * C 0 {1,S} {3,S} {15,S} {16,S} -3 * C 0 {2,S} {4,S} {17,S} {18,S} -4 * C 0 {3,S} {5,S} {19,S} {20,S} -5 * C 0 {4,S} {6,S} {21,S} {22,S} -6 * C 0 {5,S} {7,S} {23,S} {24,S} -7 * C 0 {6,S} {8,S} {25,S} {26,S} -8 * C 0 {7,S} {9,S} {27,S} {28,S} -9 * C 0 {8,S} {10,S} {29,S} {30,S} -10 * C 0 {9,S} {11,S} {31,S} {32,S} -11 * C 0 {10,S} {12,S} {33,S} {34,S} -12 * C 0 {1,S} {11,S} {35,S} {36,S} -13 R 0 {1,S} -14 R 0 {1,S} -15 R 0 {2,S} -16 R 0 {2,S} -17 R 0 {3,S} -18 R 0 {3,S} -19 R 0 {4,S} -20 R 0 {4,S} -21 R 0 {5,S} -22 R 0 {5,S} -23 R 0 {6,S} -24 R 0 {6,S} -25 R 0 {7,S} -26 R 0 {7,S} -27 R 0 {8,S} -28 R 0 {8,S} -29 R 0 {9,S} -30 R 0 {9,S} -31 R 0 {10,S} -32 R 0 {10,S} -33 R 0 {11,S} -34 R 0 {11,S} -35 R 0 {12,S} -36 R 0 {12,S} - -//////////////Hydrocarbons with two rings - -27 Spiropentane C5R8 0 4 63.5 67.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Spiropentane ring BENSON" -1 * C 0 {2,S} {3,S} {6,S} {7,S} -2 * C 0 {1,S} {3,S} {8,S} {9,S} -3 * C 0 {1,S} {2,S} {4,S} {5,S} -4 * C 0 {3,S} {5,S} {10,S} {11,S} -5 * C 0 {3,S} {4,S} {12,S} {13,S} -6 R 0 {1,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {2,S} -10 R 0 {4,S} -11 R 0 {4,S} -12 R 0 {5,S} -13 R 0 {5,S} - -28 Bicyclo-(1,1,0)-butane C4H6 2 67.0 69.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Bicyclo-(1,1,0)-butane ring BENSON" -1 * C 0 {2,S} {4,S} {5,S} {6,S} -2 * C 0 {1,S} {3,S} {4,S} {7,S} -3 * C 0 {2,S} {4,S} {8,S} {9,S} -4 * C 0 {1,S} {2,S} {3,S} {10,S} -5 R 0 {1,S} -6 R 0 {1,S} -7 R 0 {2,S} -8 R 0 {3,S} -9 R 0 {3,S} -10 R 0 {4,S} - -29 Bicyclo-(2,1,0)-pentane C5H8 0 55.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Bicyclo-(2,1,0)-pentane ring BENSON" -1 * C 0 {2,S} {5,S} {6,S} {7,S} -2 * C 0 {1,S} {3,S} {5,S} {8,S} -3 * C 0 {2,S} {4,S} {9,S} {10,S} -4 * C 0 {3,S} {5,S} {11,S} {12,S} -5 * C 0 {1,S} {2,S} {4,S} {13,S} -6 R 0 {1,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {3,S} -10 R 0 {3,S} -11 R 0 {4,S} -12 R 0 {4,S} -13 R 0 {5,S} - -30 Bicyclo-(3,1,0)-hexane C6H10 0 32.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Bicyclo-(3,1,0)-hexane ring BENSON" -1 * C 0 {2,S} {6,S} {7,S} {8,S} -2 * C 0 {1,S} {3,S} {6,S} {9,S} -3 * C 0 {2,S} {4,S} {10,S} {11,S} -4 * C 0 {3,S} {5,S} {12,S} {13,S} -5 * C 0 {4,S} {6,S} {14,S} {15,S} -6 * C 0 {1,S} {2,S} {5,S} {16,S} -7 R 0 {1,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {3,S} -11 R 0 {3,S} -12 R 0 {4,S} -13 R 0 {4,S} -14 R 0 {5,S} -15 R 0 {5,S} -16 R 0 {6,S} - -31 2,5-Norbornadiene C7H8 0 31.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "2,5-Norbornadiene (Bicyclo[2.2.1]heptadiene) ring BENSON" -1 * C 0 {2,S} {6,D} {8,S} -2 * C 0 {1,S} {3,S} {7,S} {9,S} -3 * C 0 {2,S} {4,D} {10,S} -4 * C 0 {3,D} {5,S} {11,S} -5 * C 0 {4,S} {6,S} {7,S} {12,S} -6 * C 0 {1,D} {5,S} {13,S} -7 * C 0 {2,S} {5,S} {14,S} {15,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {3,S} -11 R 0 {4,S} -12 R 0 {5,S} -13 R 0 {6,S} -14 R 0 {7,S} -15 R 0 {7,S} - -32 Bicyclo-(4,1,0)-heptane C7H12 0 28.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Bicyclo-(4,1,0)-heptane ring BENSON" -1 * C 0 {2,S} {7,S} {8,S} {9,S} -2 * C 0 {1,S} {3,S} {7,S} {10,S} -3 * C 0 {2,S} {4,S} {11,S} {12,S} -4 * C 0 {3,S} {5,S} {13,S} {14,S} -5 * C 0 {4,S} {6,S} {15,S} {16,S} -6 * C 0 {5,S} {7,S} {17,S} {18,S} -7 * C 0 {1,S} {2,S} {6,S} {19,S} -8 R 0 {1,S} -9 R 0 {1,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {3,S} -13 R 0 {4,S} -14 R 0 {4,S} -15 R 0 {5,S} -16 R 0 {5,S} -17 R 0 {6,S} -18 R 0 {6,S} -19 R 0 {7,S} - -33 Bicyclo-(2,2,1)-heptane C7H12 0 16.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Bicyclo-(2,2,1)-heptane ring BENSON" -1 * C 0 {2,S} {6,S} {7,S} {8,S} -2 * C 0 {1,S} {3,S} {9,S} {10,S} -3 * C 0 {2,S} {4,S} {11,S} {12,S} -4 * C 0 {3,S} {5,S} {7,S} {13,S} -5 * C 0 {4,S} {6,S} {14,S} {15,S} -6 * C 0 {5,S} {1,S} {16,S} {17,S} -7 * C 0 {1,S} {4,S} {18,S} {19,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {3,S} -13 R 0 {4,S} -14 R 0 {5,S} -15 R 0 {5,S} -16 R 0 {6,S} -17 R 0 {6,S} -18 R 0 {7,S} -19 R 0 {7,S} - -34 Bicyclo-(5,1,0)-octane C8H14 0 29.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Bicyclo-(5,1,0)-octane ring BENSON" -1 * C 0 {2,S} {8,S} {9,S} {10,S} -2 * C 0 {1,S} {3,S} {8,S} {11,S} -3 * C 0 {2,S} {4,S} {12,S} {13,S} -4 * C 0 {3,S} {5,S} {14,S} {15,S} -5 * C 0 {4,S} {6,S} {16,S} {17,S} -6 * C 0 {5,S} {7,S} {18,S} {19,S} -7 * C 0 {6,S} {8,S} {20,S} {21,S} -8 * C 0 {1,S} {2,S} {7,S} {22,S} -9 R 0 {1,S} -10 R 0 {1,S} -11 R 0 {2,S} -12 R 0 {3,S} -13 R 0 {3,S} -14 R 0 {4,S} -15 R 0 {4,S} -16 R 0 {5,S} -17 R 0 {5,S} -18 R 0 {6,S} -19 R 0 {6,S} -20 R 0 {7,S} -21 R 0 {7,S} -22 R 0 {8,S} - -35 Bicyclo-(6,1,0)-nonane C9H16 0 31.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Bicyclo-(6,1,0)-nonane ring BENSON" -1 * C 0 {2,S} {9,S} {10,S} {11,S} -2 * C 0 {1,S} {3,S} {9,S} {12,S} -3 * C 0 {2,S} {4,S} {13,S} {14,S} -4 * C 0 {3,S} {5,S} {15,S} {16,S} -5 * C 0 {4,S} {6,S} {17,S} {18,S} -6 * C 0 {5,S} {7,S} {19,S} {20,S} -7 * C 0 {6,S} {8,S} {21,S} {22,S} -8 * C 0 {7,S} {9,S} {23,S} {24,S} -9 * C 0 {1,S} {2,S} {8,S} {25,S} -10 R 0 {1,S} -11 R 0 {1,S} -12 R 0 {2,S} -13 R 0 {3,S} -14 R 0 {3,S} -15 R 0 {4,S} -16 R 0 {4,S} -17 R 0 {5,S} -18 R 0 {5,S} -19 R 0 {6,S} -20 R 0 {6,S} -21 R 0 {7,S} -22 R 0 {7,S} -23 R 0 {8,S} -24 R 0 {8,S} -25 R 0 {9,S} - - -//////////////Hydrocarbons with three rings - -36 Biphenylene C12 0 58.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Biphenylene ring BENSON" -1 * C 0 {2,B} {6,B} -2 * C 0 {1,B} {3,B} -3 * C 0 {2,B} {4,B} -4 * C 0 {3,B} {5,B} -5 * C 0 {4,B} {6,B} {9,S} -6 * C 0 {1,B} {5,B} {8,S} -7 * C 0 {8,B} {12,B} -8 * C 0 {6,S} {7,B} {9,B} -9 * C 0 {5,S} {8,B} {10,B} -10 * C 0 {9,B} {11,B} -11 * C 0 {10,B} {12,B} -12 * C 0 {7,B} {11,B} - -///////////////////////////////////////////////////////////////////////////////// -//////////////Oxygen-containing rings - -37 Ethylene_oxide C2OR4 0 26.9 30.5 -2.0 -2.8 -3.0 -2.6 -2.3 -2.3 -2.3 "Ethylene oxide ring BENSON Cp1500 est. as Cp1000" -1 * C 0 {2,S} {3,S} {4,S} {5,S} -2 * C 0 {1,S} {3,S} {6,S} {7,S} -3 * O 0 {1,S} {2,S} -4 R 0 {1,S} -5 R 0 {1,S} -6 R 0 {2,S} -7 R 0 {2,S} - -38 Oxetane C3OR6 0 25.7 27.7 -4.6 -5.0 -4.2 -3.5 -2.5 0.2 0.2 "Oxetane ring BENSON Cp1500 est. as Cp1000" -1 * C 0 {2,S} {4,S} {5,S} {6,S} -2 * C 0 {1,S} {3,S} {7,S} {8,S} -3 * C 0 {2,S} {4,S} {9,S} {10,S} -4 * O 0 {1,S} {3,S} -5 R 0 {1,S} -6 R 0 {1,S} -7 R 0 {2,S} -8 R 0 {2,S} -9 R 0 {3,S} -10 R 0 {3,S} - -39 Tetrahydrofuran C4OR8 0 5.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Tetrahydrofuran ring BENSON" -1 * C 0 {2,S} {5,S} {6,S} {7,S} -2 * C 0 {1,S} {3,S} {8,S} {9,S} -3 * C 0 {2,S} {4,S} {10,S} {11,S} -4 * C 0 {3,S} {5,S} {12,S} {13,S} -5 * O 0 {1,S} {4,S} -6 R 0 {1,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {2,S} -10 R 0 {3,S} -11 R 0 {3,S} -12 R 0 {4,S} -13 R 0 {4,S} - -40 Tetrahydro-2H-pyran C5OR10 0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Tetrahydro-2H-pyran ring BENSON" -1 * C 0 {2,S} {6,S} {7,S} {8,S} -2 * C 0 {1,S} {3,S} {9,S} {10,S} -3 * C 0 {2,S} {4,S} {11,S} {12,S} -4 * C 0 {3,S} {5,S} {13,S} {14,S} -5 * C 0 {4,S} {6,S} {15,S} {16,S} -6 * O 0 {1,S} {5,S} -7 R 0 {1,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {3,S} -13 R 0 {4,S} -14 R 0 {4,S} -15 R 0 {5,S} -16 R 0 {5,S} - -41 1,3-Dioxane C4O2R8 0 0.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3-Dioxane ring BENSON" -1 * C 0 {2,S} {6,S} {7,S} {8,S} -2 * C 0 {1,S} {3,S} {9,S} {10,S} -3 * C 0 {2,S} {4,S} {11,S} {12,S} -4 * O 0 {3,S} {5,S} -5 * C 0 {4,S} {6,S} {13,S} {14,S} -6 O 0 {1,S} {5,S} -7 R 0 {1,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {3,S} -13 R 0 {5,S} -14 R 0 {5,S} - -42 1,4-Dioxane C4O2R8 0 3.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,4-Dioxane ring BENSON" -1 * C 0 {2,S} {6,S} {7,S} {8,S} -2 * C 0 {1,S} {3,S} {9,S} {10,S} -3 * O 0 {2,S} {4,S} -4 * C 0 {3,S} {5,S} {11,S} {12,S} -5 * C 0 {4,S} {6,S} {13,S} {14,S} -6 * O 0 {1,S} {5,S} -7 R 0 {1,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {2,S} -11 R 0 {4,S} -12 R 0 {4,S} -13 R 0 {5,S} -14 R 0 {5,S} - -43 1,3,5-Trioxane C3O3R6 0 6.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3,5-Trioxane ring BENSON" -1 * C 0 {2,S} {6,S} {7,S} {8,S} -2 * O 0 {1,S} {3,S} -3 * C 0 {2,S} {4,S} {9,S} {10,S} -4 * O 0 {3,S} {5,S} -5 * C 0 {4,S} {6,S} {11,S} {12,S} -6 * O 0 {1,S} {5,S} -7 R 0 {1,S} -8 R 0 {1,S} -9 R 0 {3,S} -10 R 0 {3,S} -11 R 0 {5,S} -12 R 0 {5,S} - -44 2,3-Dihydrofuran C4OR6 0 4.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "2,3-Dihydrofuran ring BENSON" -1 * C 0 {2,S} {5,S} {6,S} {7,S} -2 * C 0 {1,S} {3,S} {8,S} {9,S} -3 * C 0 {2,S} {4,D} {10,S} -4 * C 0 {3,D} {5,S} {11,S} -5 * O 0 {1,S} {4,S} -6 R 0 {1,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {2,S} -10 R 0 {3,S} -11 R 0 {4,S} - -45 1,3-Dioxolane C3O2R6 0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3-Dioxolane ring BENSON" -1 * C 0 {2,S} {5,S} {6,S} {7,S} -2 * C 0 {1,S} {3,S} {8,S} {9,S} -3 * O 0 {2,S} {4,S} -4 * C 0 {3,S} {5,S} {10,S} {11,S} -5 * O 0 {1,S} {4,S} -6 R 0 {1,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {2,S} -10 R 0 {4,S} -11 R 0 {4,S} - -46 Furan C4OR4 0 -5.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Furan ring BENSON" -1 * C 0 {2,D} {5,S} {6,S} -2 * C 0 {1,D} {3,S} {7,S} -3 * C 0 {2,S} {4,D} {8,S} -4 * C 0 {3,D} {5,S} {9,S} -5 * O 0 {1,S} {4,S} -6 R 0 {1,S} -7 R 0 {2,S} -8 R 0 {3,S} -9 R 0 {4,S} - -47 3,4-Dihydro-2H-pyran C5OR8 0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "3,4-Dihydro-2H-pyran ring BENSON" -1 * C 0 {2,S} {6,S} {7,S} {8,S} -2 * C 0 {1,S} {3,S} {9,S} {10,S} -3 * C 0 {2,S} {4,S} {11,S} {12,S} -4 * C 0 {3,S} {5,D} {13,S} -5 * C 0 {4,D} {6,S} {14,S} -6 * O 0 {1,S} {5,S} -7 R 0 {1,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {3,S} -13 R 0 {4,S} -14 R 0 {5,S} - -48 Dihydro-2,5-furandione C4O3R4 0 4.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Dihydro-2,5-furandione ring BENSON" -1 * C 0 {2,S} {5,S} {6,S} {7,S} -2 * C 0 {1,S} {3,S} {8,S} {9,S} -3 * C 0 {2,S} {4,S} {10,D} -4 * O 0 {3,S} {5,S} -5 * C 0 {1,S} {4,S} {11,D} -6 R 0 {1,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {2,S} -10 O 0 {3,D} -11 O 0 {5,D} - -49 Pentanedioic_anhydride C4O3R6 0 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Pentanedioic anhydride ring BENSON" -1 * C 0 {2,S} {6,S} {7,S} {8,S} -2 * C 0 {1,S} {3,S} {9,S} {10,S} -3 * C 0 {2,S} {4,S} {11,S} {12,S} -4 * C 0 {3,S} {5,S} {13,D} -5 * O 0 {4,S} {6,S} -6 * C 0 {1,S} {5,S} {14,D} -7 R 0 {1,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {3,S} -13 O 0 {4,D} -14 O 0 {6,D} - -50 2,5-Furandione C4O3R2 0 3.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "2,5-Furandione ring BENSON" -1 * C 0 {2,D} {5,S} {6,S} -2 * C 0 {1,D} {3,S} {7,S} -3 * C 0 {2,S} {4,S} {8,D} -4 * O 0 {3,S} {5,S} -5 * C 0 {1,S} {4,S} {9,D} -6 R 0 {1,S} -7 R 0 {1,S} -8 O 0 {3,D} -9 O 0 {5,D} - -51 Beta-Propiolactone C3O2R4 0 23.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Beta-Propiolactone ring BENSON" -1 * C 0 {2,S} {4,S} {5,S} {6,S} -2 * C 0 {1,S} {3,S} {7,S} {8,S} -3 * C 0 {2,S} {4,S} {9,D} -4 * O 0 {1,S} {3,S} -5 R 0 {1,S} -6 R 0 {1,S} -7 R 0 {2,S} -8 R 0 {2,S} -9 O 0 {3,D} - -52 4-Methylene-2-oxetanone C4O2R4 0 22.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "4-Methylene-2-oxetanone ring BENSON" -1 * C 0 {2,S} {4,S} {5,D} -2 * C 0 {1,S} {3,S} {6,S} {7,S} -3 * C 0 {2,S} {4,S} {8,D} -4 * O 0 {1,S} {3,S} -5 C 0 {1,D} {9,S} {10,S} -6 R 0 {2,S} -7 R 0 {2,S} -8 O 0 {3,D} -9 R 0 {5,S} -10 R 0 {6,S} - -53 Cyclobutanone C4OR6 0 22.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclobutanone ring BENSON" -1 * C 0 {2,S} {4,S} {5,S} {6,S} -2 * C 0 {1,S} {3,S} {7,S} {8,S} -3 * C 0 {2,S} {4,S} {9,S} {10,S} -4 * C 0 {1,S} {3,S} {11,D} -5 R 0 {1,S} -6 R 0 {1,S} -7 R 0 {2,S} -8 R 0 {2,S} -9 R 0 {3,S} -10 R 0 {3,S} -11 O 0 {4,D} - -54 Cyclopentanone C5OR8 0 5.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclopentanone ring BENSON" -1 * C 0 {2,S} {5,S} {6,S} {7,S} -2 * C 0 {1,S} {3,S} {8,S} {9,S} -3 * C 0 {2,S} {4,S} {10,S} {11,S} -4 * C 0 {3,S} {5,S} {12,S} {13,S} -5 * C 0 {1,S} {4,S} {14,D} -6 R 0 {1,S} -7 R 0 {1,S} -8 R 0 {2,S} -9 R 0 {2,S} -10 R 0 {3,S} -11 R 0 {3,S} -12 R 0 {4,S} -13 R 0 {4,S} -14 O 0 {5,D} - -55 Cyclohexanone C6OR10 0 2.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclohexanone ring BENSON" -1 * C 0 {2,S} {6,S} {7,S} {8,S} -2 * C 0 {1,S} {3,S} {9,S} {10,S} -3 * C 0 {2,S} {4,S} {11,S} {12,S} -4 * C 0 {3,S} {5,S} {13,S} {14,S} -5 * C 0 {4,S} {6,S} {15,S} {16,S} -6 * C 0 {1,S} {5,S} {17,D} -7 R 0 {1,S} -8 R 0 {1,S} -9 R 0 {2,S} -10 R 0 {2,S} -11 R 0 {3,S} -12 R 0 {3,S} -13 R 0 {4,S} -14 R 0 {4,S} -15 R 0 {5,S} -16 R 0 {5,S} -17 O 0 {6,D} - -56 Cycloheptanone C7OR12 0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cycloheptanone ring BENSON" -1 * C 0 {2,S} {7,S} {8,S} {9,S} -2 * C 0 {1,S} {3,S} {10,S} {11,S} -3 * C 0 {2,S} {4,S} {12,S} {13,S} -4 * C 0 {3,S} {5,S} {14,S} {15,S} -5 * C 0 {4,S} {6,S} {16,S} {17,S} -6 * C 0 {5,S} {7,S} {18,S} {19,S} -7 * C 0 {1,S} {6,S} {20,D} -8 R 0 {1,S} -9 R 0 {1,S} -10 R 0 {2,S} -11 R 0 {2,S} -12 R 0 {3,S} -13 R 0 {3,S} -14 R 0 {4,S} -15 R 0 {4,S} -16 R 0 {5,S} -17 R 0 {5,S} -18 R 0 {6,S} -19 R 0 {6,S} -20 O 0 {7,D} - -57 Cyclooctanone C8OR14 0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclooctanone ring BENSON" -1 * C 0 {2,S} {8,S} {9,S} {10,S} -2 * C 0 {1,S} {3,S} {11,S} {12,S} -3 * C 0 {2,S} {4,S} {13,S} {14,S} -4 * C 0 {3,S} {5,S} {15,S} {16,S} -5 * C 0 {4,S} {6,S} {17,S} {18,S} -6 * C 0 {5,S} {7,S} {19,S} {20,S} -7 * C 0 {6,S} {8,S} {21,S} {22,S} -8 * C 0 {1,S} {7,S} {23,D} -9 R 0 {1,S} -10 R 0 {1,S} -11 R 0 {2,S} -12 R 0 {2,S} -13 R 0 {3,S} -14 R 0 {3,S} -15 R 0 {4,S} -16 R 0 {4,S} -17 R 0 {5,S} -18 R 0 {5,S} -19 R 0 {6,S} -20 R 0 {6,S} -21 R 0 {7,S} -22 R 0 {7,S} -23 O 0 {8,D} - -58 Cyclononanone C9OR16 0 4.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclononanone ring BENSON" -1 * C 0 {2,S} {9,S} {10,S} {11,S} -2 * C 0 {1,S} {3,S} {12,S} {13,S} -3 * C 0 {2,S} {4,S} {14,S} {15,S} -4 * C 0 {3,S} {5,S} {16,S} {17,S} -5 * C 0 {4,S} {6,S} {18,S} {19,S} -6 * C 0 {5,S} {7,S} {20,S} {21,S} -7 * C 0 {6,S} {8,S} {22,S} {23,S} -8 * C 0 {7,S} {9,S} {24,S} {25,S} -9 * C 0 {1,S} {8,S} {26,D} -10 R 0 {1,S} -11 R 0 {1,S} -12 R 0 {2,S} -13 R 0 {2,S} -14 R 0 {3,S} -15 R 0 {3,S} -16 R 0 {4,S} -17 R 0 {4,S} -18 R 0 {5,S} -19 R 0 {5,S} -20 R 0 {6,S} -21 R 0 {6,S} -22 R 0 {7,S} -23 R 0 {7,S} -24 R 0 {8,S} -25 R 0 {8,S} -26 O 0 {9,D} - -59 Cyclodecanone C10OR18 0 3.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclodecanone ring BENSON" -1 * C 0 {2,S} {10,S} {11,S} {12,S} -2 * C 0 {1,S} {3,S} {12,S} {14,S} -3 * C 0 {2,S} {4,S} {14,S} {16,S} -4 * C 0 {3,S} {5,S} {17,S} {18,S} -5 * C 0 {4,S} {6,S} {19,S} {20,S} -6 * C 0 {5,S} {7,S} {21,S} {22,S} -7 * C 0 {6,S} {8,S} {23,S} {24,S} -8 * C 0 {7,S} {9,S} {25,S} {26,S} -9 * C 0 {8,S} {10,S} {27,S} {28,S} -10 * C 0 {1,S} {9,S} {29,D} -11 R 0 {1,S} -12 R 0 {1,S} -13 R 0 {2,S} -14 R 0 {2,S} -15 R 0 {3,S} -16 R 0 {3,S} -17 R 0 {4,S} -18 R 0 {4,S} -19 R 0 {5,S} -20 R 0 {5,S} -21 R 0 {6,S} -22 R 0 {6,S} -23 R 0 {7,S} -24 R 0 {7,S} -25 R 0 {8,S} -26 R 0 {8,S} -27 R 0 {9,S} -28 R 0 {9,S} -29 O 0 {10,D} - -60 Cycloundecanone C11OR20 0 4.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cycloundecanone ring BENSON" -1 * C 0 {2,S} {11,S} {12,S} {13,S} -2 * C 0 {1,S} {3,S} {14,S} {15,S} -3 * C 0 {2,S} {4,S} {16,S} {17,S} -4 * C 0 {3,S} {5,S} {18,S} {19,S} -5 * C 0 {4,S} {6,S} {20,S} {21,S} -6 * C 0 {5,S} {7,S} {22,S} {23,S} -7 * C 0 {6,S} {8,S} {24,S} {25,S} -8 * C 0 {7,S} {9,S} {26,S} {27,S} -9 * C 0 {8,S} {10,S} {28,S} {29,S} -10 * C 0 {9,S} {11,S} {30,S} {31,S} -11 * C 0 {10,S} {12,S} {32,D} -12 R 0 {1,S} -13 R 0 {1,S} -14 R 0 {2,S} -15 R 0 {2,S} -16 R 0 {3,S} -17 R 0 {3,S} -18 R 0 {4,S} -19 R 0 {4,S} -20 R 0 {5,S} -21 R 0 {5,S} -22 R 0 {6,S} -23 R 0 {6,S} -24 R 0 {7,S} -25 R 0 {7,S} -26 R 0 {8,S} -27 R 0 {8,S} -28 R 0 {9,S} -29 R 0 {9,S} -30 R 0 {10,S} -31 R 0 {10,S} -32 O 0 {11,D} - -61 Cyclododecanone C12OR22 0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclododecanone ring BENSON" -1 * C 0 {2,S} {12,S} {13,S} {14,S} -2 * C 0 {1,S} {3,S} {15,S} {16,S} -3 * C 0 {2,S} {4,S} {17,S} {18,S} -4 * C 0 {3,S} {5,S} {19,S} {20,S} -5 * C 0 {4,S} {6,S} {21,S} {22,S} -6 * C 0 {5,S} {7,S} {23,S} {24,S} -7 * C 0 {6,S} {8,S} {25,S} {26,S} -8 * C 0 {7,S} {9,S} {27,S} {28,S} -9 * C 0 {8,S} {10,S} {29,S} {30,S} -10 * C 0 {9,S} {11,S} {31,S} {32,S} -11 * C 0 {10,S} {12,S} {33,S} {34,S} -12 * C 0 {1,S} {11,S} {35,D} -13 R 0 {1,S} -14 R 0 {1,S} -15 R 0 {2,S} -16 R 0 {2,S} -17 R 0 {3,S} -18 R 0 {3,S} -19 R 0 {4,S} -20 R 0 {4,S} -21 R 0 {5,S} -22 R 0 {5,S} -23 R 0 {6,S} -24 R 0 {6,S} -25 R 0 {7,S} -26 R 0 {7,S} -27 R 0 {8,S} -28 R 0 {8,S} -29 R 0 {9,S} -30 R 0 {9,S} -31 R 0 {10,S} -32 R 0 {10,S} -33 R 0 {11,S} -34 R 0 {11,S} -35 O 0 {12,D} - -62 Cyclo(C15)anone C15OR28 0 2.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclo(C15)anone ring BENSON" -1 * C 0 {2,S} {15,S} {16,S} {17,S} -2 * C 0 {1,S} {3,S} {18,S} {19,S} -3 * C 0 {2,S} {4,S} {20,S} {21,S} -4 * C 0 {3,S} {5,S} {22,S} {23,S} -5 * C 0 {4,S} {6,S} {24,S} {25,S} -6 * C 0 {5,S} {7,S} {26,S} {27,S} -7 * C 0 {6,S} {8,S} {28,S} {29,S} -8 * C 0 {7,S} {9,S} {30,S} {31,S} -9 * C 0 {8,S} {10,S} {32,S} {33,S} -10 * C 0 {9,S} {11,S} {34,S} {35,S} -11 * C 0 {10,S} {12,S} {36,S} {37,S} -12 * C 0 {11,S} {13,S} {38,S} {39,S} -13 * C 0 {12,S} {14,S} {40,S} {41,S} -14 * C 0 {13,S} {15,S} {42,S} {43,S} -15 * C 0 {1,S} {14,S} {44,D} -16 R 0 {1,S} -17 R 0 {1,S} -18 R 0 {2,S} -19 R 0 {2,S} -20 R 0 {3,S} -21 R 0 {3,S} -22 R 0 {4,S} -23 R 0 {4,S} -24 R 0 {5,S} -25 R 0 {5,S} -26 R 0 {6,S} -27 R 0 {6,S} -28 R 0 {7,S} -29 R 0 {7,S} -30 R 0 {8,S} -31 R 0 {8,S} -32 R 0 {9,S} -33 R 0 {9,S} -34 R 0 {10,S} -35 R 0 {10,S} -36 R 0 {11,S} -37 R 0 {11,S} -38 R 0 {12,S} -39 R 0 {12,S} -40 R 0 {13,S} -41 R 0 {13,S} -42 R 0 {14,S} -43 R 0 {14,S} -44 O 0 {15,D} - -63 Cyclo(C17)anone C17OR32 0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Cyclo(C17)anone ring BENSON" -1 * C 0 {2,S} {17,S} {18,S} {19,S} -2 * C 0 {1,S} {3,S} {20,S} {21,S} -3 * C 0 {2,S} {4,S} {22,S} {23,S} -4 * C 0 {3,S} {5,S} {24,S} {25,S} -5 * C 0 {4,S} {6,S} {26,S} {27,S} -6 * C 0 {5,S} {7,S} {28,S} {29,S} -7 * C 0 {6,S} {8,S} {30,S} {31,S} -8 * C 0 {7,S} {9,S} {32,S} {33,S} -9 * C 0 {8,S} {10,S} {34,S} {35,S} -10 * C 0 {9,S} {11,S} {36,S} {37,S} -11 * C 0 {10,S} {12,S} {38,S} {39,S} -12 * C 0 {11,S} {13,S} {40,S} {41,S} -13 * C 0 {12,S} {14,S} {42,S} {43,S} -14 * C 0 {13,S} {15,S} {44,S} {45,S} -15 * C 0 {14,S} {16,S} {46,S} {47,S} -16 * C 0 {15,S} {17,S} {48,S} {49,S} -17 * C 0 {1,S} {16,S} {50,D} -18 R 0 {1,S} -19 R 0 {1,S} -20 R 0 {2,S} -21 R 0 {2,S} -22 R 0 {3,S} -23 R 0 {3,S} -24 R 0 {4,S} -25 R 0 {4,S} -26 R 0 {5,S} -27 R 0 {5,S} -28 R 0 {6,S} -29 R 0 {6,S} -30 R 0 {7,S} -31 R 0 {7,S} -32 R 0 {8,S} -33 R 0 {8,S} -34 R 0 {9,S} -35 R 0 {9,S} -36 R 0 {10,S} -37 R 0 {10,S} -38 R 0 {11,S} -39 R 0 {11,S} -40 R 0 {12,S} -41 R 0 {12,S} -42 R 0 {13,S} -43 R 0 {13,S} -44 R 0 {14,S} -45 R 0 {14,S} -46 R 0 {15,S} -47 R 0 {15,S} -48 R 0 {16,S} -49 R 0 {16,S} -50 O 0 {17,D} - -//////////////Oxygen-containing structures with two rings - -64 1,3-Benzodioxole C7O2R6 0 16.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,3-Benzodioxole ring BENSON" -1 * C 0 {2,B} {6,B} {10,S} -2 * C 0 {1,B} {3,B} {11,S} -3 * C 0 {2,B} {4,B} {12,S} -4 * C 0 {3,B} {5,B} {13,S} -5 * C 0 {4,B} {6,B} {9,S} -6 * C 0 {1,B} {5,B} {7,S} -7 O 0 {6,S} {8,S} -8 * C 0 {7,S} {9,S} {14,S} {15,S} -9 O 0 {5,S} {8,S} -10 R 0 {1,S} -11 R 0 {2,S} -12 R 0 {3,S} -13 R 0 {4,S} -14 R 0 {8,S} -15 R 0 {8,S} - -65 1,4-Dioxatetralin C8O2R8 0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "1,4-Dioxatetralin ring BENSON" -1 * C 0 {2,B} {6,B} {11,S} -2 * C 0 {1,B} {3,B} {12,S} -3 * C 0 {2,B} {4,B} {13,S} -4 * C 0 {3,B} {5,B} {14,S} -5 * C 0 {4,B} {6,B} {10,S} -6 * C 0 {1,B} {5,B} {7,S} -7 * O 0 {6,S} {8,S} -8 * C 0 {7,S} {9,S} {15,S} {16,S} -9 * C 0 {8,S} {10,S} {17,S} {18,S} -10 * O 0 {5,S} {9,S} -11 R 0 {1,S} -12 R 0 {2,S} -13 R 0 {3,S} -14 R 0 {4,S} -15 R 0 {8,S} -16 R 0 {8,S} -17 R 0 {9,S} -18 R 0 {9,S} - -66 trans-Bicyclo[4.4.0]-3-decanone C10OR16 0 20.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "trans-Bicyclo[4.4.0]-3-decanone ring BENSON" -1 * C 0 {2,S} {6,S} {11,S} {12,S} -2 * C 0 {1,S} {3,S} {13,S} {14,S} -3 * C 0 {2,S} {4,S} {15,S} {16,S} -4 * C 0 {3,S} {5,S} {17,S} {18,S} -5 * C 0 {4,S} {6,S} {10,S} {19,S} -6 * C 0 {1,S} {5,S} {7,S} {20,S} -7 * C 0 {6,S} {8,S} {21,S} {22,S} -8 * C 0 {7,S} {9,S} {23,Dtrans} -9 * C 0 {8,S} {10,S} {24,S} {25,S} -10 * C 0 {5,S} {9,S} {26,S} {27,S} -11 R 0 {1,S} -12 R 0 {1,S} -13 R 0 {2,S} -14 R 0 {2,S} -15 R 0 {3,S} -16 R 0 {3,S} -17 R 0 {4,S} -18 R 0 {4,S} -19 R 0 {5,S} -20 R 0 {6,S} -21 R 0 {7,S} -22 R 0 {7,S} -23 O 0 {8,Dtrans} -24 R 0 {9,S} -25 R 0 {9,S} -26 R 0 {10,S} -27 R 0 {10,S} - -67 cis-Bicyclo[4.4.0]-3-decanone C10OR16 0 15.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "cis-Bicyclo[4.4.0]-3-decanone ring BENSON" -1 * C 0 {2,S} {6,S} {11,S} {12,S} -2 * C 0 {1,S} {3,S} {13,S} {14,S} -3 * C 0 {2,S} {4,S} {15,S} {16,S} -4 * C 0 {3,S} {5,S} {17,S} {18,S} -5 * C 0 {4,S} {6,S} {10,S} {19,S} -6 * C 0 {1,S} {5,S} {7,S} {20,S} -7 * C 0 {6,S} {8,S} {21,S} {22,S} -8 * C 0 {7,S} {9,S} {23,Dcis} -9 * C 0 {8,S} {10,S} {24,S} {25,S} -10 * C 0 {5,S} {9,S} {26,S} {27,S} -11 R 0 {1,S} -12 R 0 {1,S} -13 R 0 {2,S} -14 R 0 {2,S} -15 R 0 {3,S} -16 R 0 {3,S} -17 R 0 {4,S} -18 R 0 {4,S} -19 R 0 {5,S} -20 R 0 {6,S} -21 R 0 {7,S} -22 R 0 {7,S} -23 O 0 {8,Dcis} -24 R 0 {9,S} -25 R 0 {9,S} -26 R 0 {10,S} -27 R 0 {10,S} - -//////////////Oxygen-containing structures with three rings - -68 Xantene C13OR10 0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Xanthene ring BENSON" -1 * C 0 {2,B} {6,B} {15,S} -2 * C 0 {1,B} {3,B} {16,S} -3 * C 0 {2,B} {4,B} {17,S} -4 * C 0 {3,B} {5,B} {18,S} -5 * C 0 {4,B} {6,B} {10,S} -6 * C 0 {1,B} {5,B} {7,S} -7 * C 0 {6,S} {8,S} {19,S} {20,S} -8 * C 0 {7,S} {9,B} {11,B} -9 * C 0 {8,B} {10,S} {14,B} -10 * O 0 {5,S} {9,S} -11 * C 0 {8,B} {12,B} {21,S} -12 * C 0 {11,B} {13,B} {22,S} -13 * C 0 {12,B} {14,B} {23,S} -14 * C 0 {9,B} {13,B} {24,S} -15 R 0 {1,S} -16 R 0 {2,S} -17 R 0 {3,S} -18 R 0 {4,S} -19 R 0 {7,S} -20 R 0 {7,S} -21 R 0 {11,S} -22 R 0 {12,S} -23 R 0 {13,S} -24 R 0 {14,S} - -69 Dodecahydrodibenzo[b,d]furan C12OR20 0 11.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 "Dodecahydrodibenzo[b,d]furan ring BENSON" -1 * C 0 {2,S} {6,S} {14,S} {15,S} -2 * C 0 {1,S} {3,S} {16,S} {17,S} -3 * C 0 {2,S} {4,S} {18,S} {19,S} -4 * C 0 {3,S} {5,S} {20,S} {21,S} -5 * C 0 {4,S} {6,S} {9,S} {22,S} -6 * C 0 {1,S} {5,S} {7,S} {23,S} -7 * C 0 {6,S} {8,S} {10,S} {24,S} -8 * C 0 {7,S} {9,S} {13,S} {25,S} -9 * O 0 {5,S} {8,S} -10 * C 0 {7,S} {11,S} {26,S} {27,S} -11 * C 0 {10,S} {12,S} {28,S} {29,S} -12 * C 0 {11,S} {13,S} {30,S} {31,S} -13 * C 0 {8,S} {12,S} {32,S} {33,S} -14 R 0 {1,S} -15 R 0 {1,S} -16 R 0 {2,S} -17 R 0 {2,S} -18 R 0 {3,S} -19 R 0 {3,S} -20 R 0 {4,S} -21 R 0 {4,S} -22 R 0 {5,S} -23 R 0 {6,S} -24 R 0 {7,S} -25 R 0 {8,S} -26 R 0 {10,S} -27 R 0 {10,S} -28 R 0 {11,S} -29 R 0 {11,S} -30 R 0 {12,S} -31 R 0 {12,S} -32 R 0 {13,S} -33 R 0 {13,S} - - - diff --git a/output/RMG_database_sulfur/thermo_groups/backup/Tree.txt b/output/RMG_database_sulfur/thermo_groups/backup/Tree.txt deleted file mode 100644 index 44110e0a2c..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/backup/Tree.txt +++ /dev/null @@ -1,1228 +0,0 @@ -///////////////////////////////////////////////////////////////////// -// Tree -// -// Jing Song: combine Joanna's carbon tree "CarbonTree_021018.txt" and oxygen Tree in "OxygenTree_021018.txt" -// Nov 7, 2002 -// -///////////////////////////////////////////////////////////////////// - - -////////////////////////////////////////////////////////////////// -// Carbon Tree -// Joanna Yu -// Oct. 18, 2002 -////////////////////////////////////////////////////////////////// - -////////////////////////////////////////////////////////////////// -//Thermo Tree & Nomenclature for groups with C as the central atom -// -//C Carbon atom, bonds are still not defined -//Ct Carbon atom with one triple bond and one single bond -//Cs Carbon atom with four single bonds -//Cd Carbon atom with one double bond and the rest not defined -//Cdd Carbon atom with two double bonds -//Cds Carbon atom with one double bond and two single bonds -//Cb Carbon atom belonging to a benzene ring -//Cbf Carbon atom belonging to a fused benzene ring -//H Hydrogen atom -//Os Oxygen atom with two single bonds -//Od Oxygen atom with one double bond -////////////////////////////////////////////////////////////////// - -L0: R - -L1: C - L2: Cbf - L3: Cbf-CbCbCbf - L3: Cbf-CbCbfCbf - L3: Cbf-CbfCbfCbf - L2: Cb - L3: Cb-H - L3: Cb-Os - L3: Cb-C - L4: Cb-Cs - L4: Cb-Cds - L5: Cb-(Cds-Od) // Cb-CO - L5: Cb-(Cds-Cd) - L6: Cb-(Cds-Cds) // Cb-Cd - L6: Cb-(Cds-Cdd) - L7: Cb-(Cds-Cdd-Od) // Cb-Ck - L7: Cb-(Cds-Cdd-Cd) // Cb-Cd - L4: Cb-Ct - L4: Cb-Cb - L2: Ct - L3: Ct-H - L3: Ct-Os - L3: Ct-C - L4: Ct-Cs - L4: Ct-Cds - L5: Ct-(Cds-Od) // Ct-CO - L5: Ct-(Cds-Cd) - L6: Ct-(Cds-Cds) // Ct-Cd - L6: Ct-(Cds-Cdd) - L7: Ct-(Cds-Cdd-Od) // Ct-Ck - L7: Ct-(Cds-Cdd-Cd) // Ct-Cd - - L4: Ct-Ct - L4: Ct-Cb - - L2: Cdd - L3: Cdd-OdOd // CO2 - L3: Cdd-CdOd - L4: Cdd-CdsOd // O=C*=C< currently treat the adjacent C as Ck - L4: Cdd-CddOd // O=C*=C= currently not defined - L5: Cdd-(Cdd-Od)Od - L5: Cdd-(Cdd-Cd)Od - - L3: Cdd-CdCd // Currently all the nodes under this have one value (Ca) - L4: Cdd-CddCdd // I don't think these groups have been defined. - L5: Cdd-(Cdd-Od)(Cdd-Od) // O=C=C*=C=O - L5: Cdd-(Cdd-Od)(Cdd-Cd) // O=C=C*=C=C the carbon at the edge is not defined, otherwise this COuld go on indefinetely! - L5: Cdd-(Cdd-Cd)(Cdd-Cd) // C=C=C*=C=C the carbons at the edges are not defined! - L4: Cdd-CddCds // I don't think these groups have been defined. - L5: Cdd-(Cdd-Od)Cds // O=C=C*=C< - L5: Cdd-(Cdd-Cd)Cds // C=C=C*=C< - L4: Cdd-CdsCds // Ca , that is >C=C=C< - - L2: Cds - L3: Cds-OdHH - L3: Cds-OdOsH - L3: Cds-OdOsOs - L3: Cds-OdCH - L4: Cds-OdCsH - L4: Cds-OdCdsH - L5: Cds-Od(Cds-Od)H // CO-COH - L5: Cds-Od(Cds-Cd)H - L6: Cds-Od(Cds-Cds)H // CO-CdH - L6: Cds-Od(Cds-Cdd)H - L7: Cds-Od(Cds-Cdd-Od)H // CO-CkH - L7: Cds-Od(Cds-Cdd-Cd)H // CO-(Cd-Ca)H - L4: Cds-OdCtH - L4: Cds-OdCbH - - L3: Cds-OdCOs - L4: Cds-OdCsOs - L4: Cds-OdCdsOs - L5: Cds-Od(Cds-Od)Os // CO-COO - L5: Cds-Od(Cds-Cd)Os - L6: Cds-Od(Cds-Cds)Os // CO-CdO - L6: Cds-Od(Cds-Cdd)Os - L7: Cds-Od(Cds-Cdd-Od)Os // CO-CkO - L7: Cds-Od(Cds-Cdd-Cd)Os // CO-(Cd-Ca)O - - L4: Cds-OdCtOs - L4: Cds-OdCbOs - - L3: Cds-OdCC - L4: Cds-OdCsCs - L4: Cds-OdCdsCs - L5: Cds-Od(Cds-Od)Cs // CO-COCs - L5: Cds-Od(Cds-Cd)Cs - L6: Cds-Od(Cds-Cds)Cs // CO-CdCs - L6: Cds-Od(Cds-Cdd)Cs - L7: Cds-Od(Cds-Cdd-Od)Cs // CO-CkCs - L7: Cds-Od(Cds-Cdd-Cd)Cs // CO-(Cd-Ca)Cs - L4: Cds-OdCdsCds - L5: Cds-Od(Cds-Od)(Cds-Od) // CO-COCO - L5: Cds-Od(Cds-Cd)(Cds-Od) - L6: Cds-Od(Cds-Cds)(Cds-Od) // CO-CdCO - L6: Cds-Od(Cds-Cdd)(Cds-Od) - L7: Cds-Od(Cds-Cdd-Od)(Cds-Od) // CO-CkCO - L7: Cds-Od(Cds-Cdd-Cd)(Cds-Od) // CO-(Cd-Ca)CO - L5: Cds-Od(Cds-Cd)(Cds-Cd) - L6: Cds-Od(Cds-Cds)(Cds-Cds) // CO-CdCd - L6: Cds-Od(Cds-Cdd)(Cds-Cds) - L7: Cds-Od(Cds-Cdd-Od)(Cds-Cds) // CO-CkCd - L7: Cds-Od(Cds-Cdd-Cd)(Cds-Cds) // CO-(Cd-Ca)Cd - L6: Cds-Od(Cds-Cdd)(Cds-Cdd) - L7: Cds-Od(Cds-Cdd-Od)(Cds-Cdd-Od) // CO-CkCk - L7: Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Od) // CO-(Cd-Ca)Ck - L7: Cds-Od(Cds-Cdd-Cd)(Cds-Cdd-Cd) // CO-(Cd-Ca)(Cd-Ca) - L4: Cds-OdCtCs - L4: Cds-OdCtCds - L5: Cds-OdCt(Cds-Od) // CO-COCt - L5: Cds-OdCt(Cds-Cd) - L6: Cds-OdCt(Cds-Cds) // CO-CdCt - L6: Cds-OdCt(Cds-Cdd) - L7: Cds-OdCt(Cds-Cdd-Od) // CO-CkCt - L7: Cds-OdCt(Cds-Cdd-Cd) // CO-(Cd-Ca)Ct - L4: Cds-OdCtCt - L4: Cds-OdCbCs - L4: Cds-OdCbCds - L5: Cds-OdCb(Cds-Od) // CO-COCbCO - L5: Cds-OdCb(Cds-Cd) - L6: Cds-OdCb(Cds-Cds) // CO-CdCb - L6: Cds-OdCb(Cds-Cdd) - L7: Cds-OdCb(Cds-Cdd-Od) // CO-CkCb - L7: Cds-OdCb(Cds-Cdd-Cd) // CO-(Cd-Ca)Cb - L4: Cds-OdCbCt - L4: Cds-OdCbCb - - L3: Cds-CdHH - L4: Cds-CdsHH - L4: Cds-CddHH - L5: Cds-(Cdd-Od)HH // Ck-HH - L5: Cds-(Cdd-Cd)HH // Cd-CaHH - L3: Cds-CdOsH - L4: Cds-CdsOsH - L4: Cds-CddOsH - L5: Cds-(Cdd-Od)OsH // Ck-OH - L5: Cds-(Cdd-Cd)OsH // Cd-CaOH - L3: Cds-CdOsOs - L4: Cds-CdsOsOs - L4: Cds-CddOsOs - L5: Cds-(Cdd-Od)OsOs // Ck-OO - L5: Cds-(Cdd-Cd)OsOs // Cd-CaOO - - L3: Cds-CdCH - L4: Cds-CdsCsH - L4: Cds-CdsCdsH - L5: Cds-Cds(Cds-Od)H // Cd-COH - L5: Cds-Cds(Cds-Cd)H - L6: Cds-Cds(Cds-Cds)H // Cd-CdH - L6: Cds-Cds(Cds-Cdd)H - L7: Cds-Cds(Cds-Cdd-Od)H // Cd-CkH - L7: Cds-Cds(Cds-Cdd-Cd)H // Cd-(Cd-Ca)H - L4: Cds-CdsCtH - L4: Cds-CdsCbH - L4: Cds-CddCsH - L5: Cds-(Cdd-Od)CsH // Ck-CH - L5: Cds-(Cdd-Cd)CsH // Cd-CaCH - L4: Cds-CddCdsH - L5: Cds-(Cdd-Od)(Cds-Od)H // Ck-COH - L5: Cds-(Cdd-Od)(Cds-Cd)H - L6: Cds-(Cdd-Od)(Cds-Cds)H // Ck-CdH - L6: Cds-(Cdd-Od)(Cds-Cdd)H - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)H // Ck-CkH - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)H // Ck-(Cd-Ca)H - L5: Cds-(Cdd-Cd)(Cds-Od)H - L5: Cds-(Cdd-Cd)(Cds-Cd)H - L6: Cds-(Cdd-Cd)(Cds-Cds)H // Cd-CaCdH - L6: Cds-(Cdd-Cd)(Cds-Cdd)H - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)H // Cd-CaCkH - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)H // Cd-Ca(Cd-Ca)H - L4: Cds-CddCtH - L5: Cds-(Cdd-Od)CtH // Ck-CtH - L5: Cds-(Cdd-Cd)CtH // Cd-CaCtH - L4: Cds-CddCbH - L5: Cds-(Cdd-Od)CbH // Ck-CbH - L5: Cds-(Cdd-Cd)CbH // Cd-CaCbH - L3: Cds-CdCO - L4: Cds-CdsCsOs - L4: Cds-CdsCdsOs - L5: Cds-Cds(Cds-Od)Os // Cd-COO - L5: Cds-Cds(Cds-Cd)Os - L6: Cds-Cds(Cds-Cds)Os // Cd-CdO - L6: Cds-Cds(Cds-Cdd)Os - L7: Cds-Cds(Cds-Cdd-Od)Os // Cd-CkO - L7: Cds-Cds(Cds-Cdd-Cd)Os // Cd-(Cd-Ca)O - L4: Cds-CdsCtOs - L4: Cds-CdsCbOs - L4: Cds-CddCsOs - L5: Cds-(Cdd-Od)CsOs // Ck-CO - L5: Cds-(Cdd-Cd)CsOs // Cd-CaCO - L4: Cds-CddCdsOs - L5: Cds-(Cdd-Od)(Cds-Od)Os // Ck-COO - L5: Cds-(Cdd-Od)(Cds-Cd)Os - L6: Cds-(Cdd-Od)(Cds-Cds)Os // Ck-CdO - L6: Cds-(Cdd-Od)(Cds-Cdd)Os - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)Os // Ck-CkO - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)Os // Ck-(Cd-Ca)O - L5: Cds-(Cdd-Cd)(Cds-Cd)Os - L6: Cds-(Cdd-Cd)(Cds-Cds)Os // Cd-CaCdO - L6: Cds-(Cdd-Cd)(Cds-Cdd)Os - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)Os // Cd-CaCkO - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)Os // Cd-Ca(Cd-Ca)O - L4: Cds-CddCtOs - L5: Cds-(Cdd-Od)CtOs // Ck-CtO - L5: Cds-(Cdd-Cd)CtOs // Cd-CaCtO - L4: Cds-CddCbOs - L5: Cds-(Cdd-Od)CbOs // Ck-CbO - L5: Cds-(Cdd-Cd)CbOs // Cd-CaCbO - L3: Cds-CdCC - L4: Cds-CdsCsCs - L4: Cds-CdsCdsCs - L5: Cds-Cds(Cds-Od)Cs // Cd-COCs - L5: Cds-Cds(Cds-Cd)Cs - L6: Cds-Cds(Cds-Cds)Cs // Cd-CdCs - L6: Cds-Cds(Cds-Cdd)Cs - L7: Cds-Cds(Cds-Cdd-Od)Cs // Cd-CkC - L7: Cds-Cds(Cds-Cdd-Cd)Cs // Cd-(Cd-Ca)C - L4: Cds-CdsCdsCds - L5: Cds-Cds(Cds-Od)(Cds-Od) // Cd-COCO - L5: Cds-Cds(Cds-Od)(Cds-Cd) - L6: Cds-Cds(Cds-Od)(Cds-Cds) // Cd-COCd - L6: Cds-Cds(Cds-Od)(Cds-Cdd) - L7: Cds-Cds(Cds-Od)(Cds-Cdd-Od) // Cd-COCk - L7: Cds-Cds(Cds-Od)(Cds-Cdd-Cd) // Cd-CO(Cd-Ca) - L5: Cds-Cds(Cds-Cd)(Cds-Cd) - L6: Cds-Cds(Cds-Cds)(Cds-Cds) // Cd-CdCd - L6: Cds-Cds(Cds-Cds)(Cds-Cdd) - L7: Cds-Cds(Cds-Cds)(Cds-Cdd-Od) // Cd-CkCd - L7: Cds-Cds(Cds-Cds)(Cds-Cdd-Cd) // Cd-(Cd-Ca)Cd - L6: Cds-Cds(Cds-Cdd)(Cds-Cdd) - L7: Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Od) // Cd-CkCk - L7: Cds-Cds(Cds-Cdd-Od)(Cds-Cdd-Cd) // Cd-Ck(Cd-Ca) - L7: Cds-Cds(Cds-Cdd-Cd)(Cds-Cdd-Cd) // Cd-(Cd-Ca)(Cd-Ca) - L4: Cds-CdsCtCs - L4: Cds-CdsCtCds - L5: Cds-CdsCt(Cds-Od) // Cd-COCt - L5: Cds-CdsCt(Cds-Cd) - L6: Cds-Cds(Cds-Cds)Ct // Cd-CdCt - L6: Cds-Cds(Cds-Cdd)Ct - L7: Cds-Cds(Cds-Cdd-Od)Ct // Cd-CkCt - L7: Cds-Cds(Cds-Cdd-Cd)Ct // Cd-(Cd-Ca)Ct - L4: Cds-CdsCtCt - L4: Cds-CdsCbCs - L4: Cds-CdsCbCds - L5: Cds-CdsCb(Cds-Od) // Cd-COCb - L5: Cds-Cds(Cds-Cd)Cb - L6: Cds-Cds(Cds-Cds)Cb // Cd-CdCb - L6: Cds-Cds(Cds-Cdd)Cb - L7: Cds-Cds(Cds-Cdd-Od)Cb // Cd-CkCb - L7: Cds-Cds(Cds-Cdd-Cd)Cb // Cd-(Cd-Ca)Cb - L4: Cds-CdsCbCt - L4: Cds-CdsCbCb - L4: Cds-CddCsCs - L5: Cds-(Cdd-Od)CsCs // Ck-CC - L5: Cds-(Cdd-Cd)CsCs // Cd-CaCC - L4: Cds-CddCdsCs - L5: Cds-(Cdd-Od)(Cds-Od)Cs // Ck-COC - L5: Cds-(Cdd-Od)(Cds-Cd)Cs - L6: Cds-(Cdd-Od)(Cds-Cds)Cs // Ck-CdC - L6: Cds-(Cdd-Od)(Cds-Cdd)Cs - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)Cs // Ck-CkC - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)Cs // Ck-(Cd-Ca)C - L5: Cds-(Cdd-Cd)(Cds-Cd)Cs - L6: Cds-(Cdd-Cd)(Cds-Cds)Cs // Cd-CaCdC - L6: Cds-(Cdd-Cd)(Cds-Cdd)Cs - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)Cs // Cd-CaCkC - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cs // Cd-Ca(Cd-Ca)C - L4: Cds-CddCdsCds - L5: Cds-(Cdd-Od)(Cds-Od)(Cds-Od) // Ck-COCO - L5: Cds-(Cdd-Od)(Cds-Cd)(Cds-Od) - L6: Cds-(Cdd-Od)(Cds-Cds)(Cds-Od) // Ck-CdCO - L6: Cds-(Cdd-Od)(Cds-Cdd)(Cds-Od) - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Od) // Ck-CkCO - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Od) // Ck-(Cd-Ca)CO - L5: Cds-(Cdd-Od)(Cds-Cd)(Cds-Cd) - L6: Cds-(Cdd-Od)(Cds-Cds)(Cds-Cds) // Ck-CdCd - L6: Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cds) - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cds) // Ck-CkCd - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cds) // Ck-(Cd-Ca)Cd - L6: Cds-(Cdd-Od)(Cds-Cdd)(Cds-Cdd) - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) // Ck-CkCk - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) // Ck-Ck(Cd-Ca) - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // Ck-(Cd-Ca)(Cd-Ca) - - L5: Cds-(Cdd-Cd)(Cds-Od)(Cds-Od) // Cd-CaCOCO - L5: Cds-(Cdd-Cd)(Cds-Od)(Cds-Cd) - L6: Cds-(Cdd-Cd)(Cds-Od)(Cds-Cds) // Cd-CaCOCd - L6: Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd) - L7: Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Od) // Cd-CaCOCk - L7: Cds-(Cdd-Cd)(Cds-Od)(Cds-Cdd-Cd) // Cd-CaCO(Cd-Ca) - L5: Cds-(Cdd-Cd)(Cds-Cd)(Cds-Cd) - L6: Cds-(Cdd-Cd)(Cds-Cds)(Cds-Cds) // Cd-CaCdCd - L6: Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cds) - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cds) // Cd-CaCkCd - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cds) // Cd-Ca(Cd-Ca)Cd - L6: Cds-(Cdd-Cd)(Cds-Cdd)(Cds-Cdd) - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Od) // Cd-CaCkCk - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)(Cds-Cdd-Cd) // Cd-CaCk(Cd-Ca) - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // Cd-Ca(Cd-Ca)(Cd-Ca) - - L4: Cds-CddCtCs - L5: Cds-(Cdd-Od)CtCs // Ck-CtC - L5: Cds-(Cdd-Cd)CtCs // Cd-CaCtC - L4: Cds-CddCtCds - L5: Cds-(Cdd-Od)(Cds-Od)Ct // Ck-COCt - L5: Cds-(Cdd-Od)(Cds-Cd)Ct - L6: Cds-(Cdd-Od)(Cds-Cds)Ct // Ck-CdCt - L6: Cds-(Cdd-Od)(Cds-Cdd)Ct - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)Ct // Ck-CkCt - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)Ct // Ck-(Cd-Ca)Ct - L5: Cds-(Cdd-Cd)(Cds-Cd)Ct - L6: Cds-(Cdd-Cd)(Cds-Cds)Ct // Cd-CaCdCt - L6: Cds-(Cdd-Cd)(Cds-Cdd)Ct - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)Ct // Cd-CaCkCt - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)Ct // Cd-Ca(Cd-Ca)Ct - - - - L4: Cds-CddCtCt - L5: Cds-(Cdd-Od)CtCt // Ck-CtCt - L5: Cds-(Cdd-Cd)CtCt // Cd-CaCtCt - L4: Cds-CddCbCs - L5: Cds-(Cdd-Od)CbCs // Ck-CbC - L5: Cds-(Cdd-Cd)CbCs // Cd-CaCbC - L4: Cds-CddCbCds - L5: Cds-(Cdd-Od)(Cds-Od)Cb // Ck-COCb - L5: Cds-(Cdd-Od)(Cds-Cd)Cb - L6: Cds-(Cdd-Od)(Cds-Cds)Cb // Ck-CdCb - L6: Cds-(Cdd-Od)(Cds-Cdd)Cb - L7: Cds-(Cdd-Od)(Cds-Cdd-Od)Cb // Ck-CkCb - L7: Cds-(Cdd-Od)(Cds-Cdd-Cd)Cb // Ck-(Cd-Ca)Cb - L5: Cds-(Cdd-Cd)(Cds-Cd)Cb - L6: Cds-(Cdd-Cd)(Cds-Cds)Cb // Cd-CaCdCb - L6: Cds-(Cdd-Cd)(Cds-Cdd)Cb - L7: Cds-(Cdd-Cd)(Cds-Cdd-Od)Cb // Cd-CaCkCb - L7: Cds-(Cdd-Cd)(Cds-Cdd-Cd)Cb // Cd-Ca(Cd-Ca)Cb - L4: Cds-CddCbCt - L5: Cds-(Cdd-Od)CbCt // Ck-CbCt - L5: Cds-(Cdd-Cd)CbCt // Cd-CaCbCt - L4: Cds-CddCbCb - L5: Cds-(Cdd-Od)CbCb // Ck-CbCb - L5: Cds-(Cdd-Cd)CbCb // Cd-CaCbCb - - L2: Cs - L3: Cs-HHHH - L3: Cs-CHHH - L4: Cs-CsHHH - L4: Cs-CdsHHH - L5: Cs-(Cds-Od)HHH // Cs-COHHH - L5: Cs-(Cds-Cd)HHH - L6: Cs-(Cds-Cds)HHH // Cs-CdHHH - L6: Cs-(Cds-Cdd)HHH - L7: Cs-(Cds-Cdd-Od)HHH // Cs-CkHHH - L7: Cs-(Cds-Cdd-Cd)HHH // Cs-(Cd-Ca)HHH - L4: Cs-CtHHH - L4: Cs-CbHHH - - L3: Cs-OsHHH - L3: Cs-OsOsHH - L3: Cs-OsOsOsH - L3: Cs-CCHH - L4: Cs-CsCsHH - L4: Cs-CdsCsHH - L5: Cs-(Cds-Od)CsHH // C-COCHH - L5: Cs-(Cds-Cd)CsHH - L6: Cs-(Cds-Cds)CsHH // C-CdCHH - L6: Cs-(Cds-Cdd)CsHH - L7: Cs-(Cds-Cdd-Od)CsHH // C-CkCHH - L7: Cs-(Cds-Cdd-Cd)CsHH // C-(Cd-Ca)CHH - L4: Cs-CdsCdsHH - L5: Cs-(Cds-Od)(Cds-Od)HH // C-COCOHH - L5: Cs-(Cds-Od)(Cds-Cd)HH - L6: Cs-(Cds-Od)(Cds-Cds)HH // C-COCdHH - L6: Cs-(Cds-Od)(Cds-Cdd)HH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)HH // C-COCkHH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)HH // C-CO(Cd-Ca)HH - L5: Cs-(Cds-Cd)(Cds-Cd)HH - L6: Cs-(Cds-Cds)(Cds-Cds)HH // C-CdCdHH - L6: Cs-(Cds-Cdd)(Cds-Cds)HH - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)HH // Cs-CkCdHH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)HH // Cs-(Cd-Ca)CdHH - L6: Cs-(Cds-Cdd)(Cds-Cdd)HH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)HH // Cs-CkCkHH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)HH // Cs-Ck(Cd-Ca)HH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)HH // Cs-(Cd-Ca)(Cd-Ca)HH - L4: Cs-CtCsHH - L4: Cs-CtCdsHH - L5: Cs-(Cds-Od)CtHH // C-COCtHH - L5: Cs-(Cds-Cd)CtHH - L6: Cs-(Cds-Cds)CtHH // C-CdCtHH - L6: Cs-(Cds-Cdd)CtHH - L7: Cs-(Cds-Cdd-Od)CtHH // C-CkCtHH - L7: Cs-(Cds-Cdd-Cd)CtHH // C-(Cd-Ca)CtHH - L4: Cs-CtCtHH - L4: Cs-CbCsHH - L4: Cs-CbCdsHH - L5: Cs-(Cds-Od)CbHH // C-COCbHH - L5: Cs-(Cds-Cd)CbHH - L6: Cs-(Cds-Cds)CbHH // C-CdCbHH - L6: Cs-(Cds-Cdd)CbHH - L7: Cs-(Cds-Cdd-Od)CbHH // C-CkCbHH - L7: Cs-(Cds-Cdd-Cd)CbHH // C-(Cd-Ca)CbHH - L4: Cs-CbCtHH - L4: Cs-CbCbHH - - L3: Cs-CCCH - L4: Cs-CsCsCsH - L4: Cs-CdsCsCsH - L5: Cs-(Cds-Od)CsCsH // C-COCCH - L5: Cs-(Cds-Cd)CsCsH - L6: Cs-(Cds-Cds)CsCsH // C-CdCCH - L6: Cs-(Cds-Cdd)CsCsH - L7: Cs-(Cds-Cdd-Od)CsCsH // C-CkCCH - L7: Cs-(Cds-Cdd-Cd)CsCsH // C-(Cd-Ca)CCH - L4: Cs-CtCsCsH - L4: Cs-CbCsCsH - L4: Cs-CdsCdsCsH - L5: Cs-(Cds-Od)(Cds-Od)CsH // C-COCOCH - L5: Cs-(Cds-Od)(Cds-Cd)CsH - L6: Cs-(Cds-Od)(Cds-Cds)CsH // C-COCdCH - L6: Cs-(Cds-Od)(Cds-Cdd)CsH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CsH // C-COCkCH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CsH // C-CO(Cd-Ca)CH - L5: Cs-(Cds-Cd)(Cds-Cd)CsH - L6: Cs-(Cds-Cds)(Cds-Cds)CsH // C-CdCdCH - L6: Cs-(Cds-Cdd)(Cds-Cds)CsH - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CsH // Cs-CkCdCH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CsH // Cs-(Cd-Ca)CdCH - L6: Cs-(Cds-Cdd)(Cds-Cdd)CsH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsH // Cs-CkCkCH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsH // Cs-Ck(Cd-Ca)CH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsH // Cs-(Cd-Ca)(Cd-Ca)CH - L4: Cs-CtCdsCsH - L5: Cs-(Cds-Od)CtCsH // C-COCtCH - L5: Cs-(Cds-Cd)CtCsH - L6: Cs-(Cds-Cds)CtCsH // C-CdCtCH - L6: Cs-(Cds-Cdd)CtCsH - L7: Cs-(Cds-Cdd-Od)CtCsH // C-CkCtCH - L7: Cs-(Cds-Cdd-Cd)CtCsH // C-(Cd-Ca)CtCH - L4: Cs-CbCdsCsH - L5: Cs-(Cds-Od)CbCsH // C-COCbCH - L5: Cs-(Cds-Cd)CbCsH - L6: Cs-(Cds-Cds)CbCsH // C-CdCbCH - L6: Cs-(Cds-Cdd)CbCsH - L7: Cs-(Cds-Cdd-Od)CbCsH // C-CkCbCH - L7: Cs-(Cds-Cdd-Cd)CbCsH // C-(Cd-Ca)CbCH - L4: Cs-CtCtCsH - L4: Cs-CbCtCsH - L4: Cs-CbCbCsH - L4: Cs-CdsCdsCdsH - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)H // C-COCOCOH - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)H - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)H // C-COCOCdH - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)H - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)H // C-COCOCkH - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)H // C-COCO(Cd-Ca)H - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)H - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)H // C-COCdCdH - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)H - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)H // Cs-COCkCdH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)H // Cs-CO(Cd-Ca)CdH - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)H - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H // Cs-COCkCkH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H // Cs-COCk(Cd-Ca)H - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H // Cs-CO(Cd-Ca)(Cd-Ca)H - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)H - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H // C-CdCdCdH - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)H - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)H // C-CdCdCkH - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)H // C-CdCd(Cd-Ca)H - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)H - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)H // C-CdCkCkH - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)H // C-CdCk(Cd-Ca)H - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H // C-Cd(Cd-Ca)(Cd-Ca)H - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)H - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)H // C-CkCkCkH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)H // C-CkCk(Cd-Ca)H - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H // C-Ck(Cd-Ca)(Cd-Ca)H - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)H // C-(Cd-Ca)(Cd-Ca)(Cd-Ca)H - L4: Cs-CtCdsCdsH - L5: Cs-(Cds-Od)(Cds-Od)CtH // C-COCOCtH - L5: Cs-(Cds-Od)(Cds-Cd)CtH - L6: Cs-(Cds-Od)(Cds-Cds)CtH // C-COCdCtH - L6: Cs-(Cds-Od)(Cds-Cdd)CtH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CtH // C-COCkCtH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CtH // C-CO(Cd-Ca)CtH - L5: Cs-(Cds-Cd)(Cds-Cd)CtH - L6: Cs-(Cds-Cds)(Cds-Cds)CtH // C-CdCdCtH - L6: Cs-(Cds-Cdd)(Cds-Cds)CtH - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CtH // Cs-CkCdCtH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CtH // Cs-(Cd-Ca)CdCtH - L6: Cs-(Cds-Cdd)(Cds-Cdd)CtH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtH // Cs-CkCkCtH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtH // Cs-Ck(Cd-Ca)CtH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtH // Cs-(Cd-Ca)(Cd-Ca)CtH - L4: Cs-CbCdsCdsH - L5: Cs-(Cds-Od)(Cds-Od)CbH // C-COCOCbH - L5: Cs-(Cds-Od)(Cds-Cd)CbH - L6: Cs-(Cds-Od)(Cds-Cds)CbH // C-COCdCbH - L6: Cs-(Cds-Od)(Cds-Cdd)CbH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CbH // C-COCkCbH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CbH // C-CO(Cd-Ca)CbH - L5: Cs-(Cds-Cd)(Cds-Cd)CbH - L6: Cs-(Cds-Cds)(Cds-Cds)CbH // C-CdCdCbH - L6: Cs-(Cds-Cdd)(Cds-Cds)CbH - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CbH // Cs-CkCdCbH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbH // Cs-(Cd-Ca)CdCbH - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbH // Cs-CkCkCbH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbH // Cs-Ck(Cd-Ca)CbH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbH // Cs-(Cd-Ca)(Cd-Ca)CbH - L4: Cs-CtCtCdsH - L5: Cs-CtCt(Cds-Od)H // C-CtCtCOH - L5: Cs-CtCt(Cds-Cd)H - L6: Cs-CtCt(Cds-Cds)H // C-CtCtCdH - L6: Cs-CtCt(Cds-Cdd)H - L7: Cs-CtCt(Cds-Cdd-Od)H // C-CtCtCkH - L7: Cs-CtCt(Cds-Cdd-Cd)H // C-CtCt(Cd-Ca)H - L4: Cs-CbCtCdsH - L5: Cs-CbCt(Cds-Od)H // C-CbCtCOH - L5: Cs-CbCt(Cds-Cd)H - L6: Cs-CbCt(Cds-Cds)H // C-CbCtCdH - L6: Cs-CbCt(Cds-Cdd)H - L7: Cs-CbCt(Cds-Cdd-Od)H // C-CbCtCkH - L7: Cs-CbCt(Cds-Cdd-Cd)H // C-CbCt(Cd-Ca)H - L4: Cs-CbCbCdsH - L5: Cs-CbCb(Cds-Od)H // C-CbCbCOH - L5: Cs-CbCb(Cds-Cd)H - L6: Cs-CbCb(Cds-Cds)H // C-CbCbCdH - L6: Cs-CbCb(Cds-Cdd)H - L7: Cs-CbCb(Cds-Cdd-Od)H // C-CbCbCkH - L7: Cs-CbCb(Cds-Cdd-Cd)H // C-CbCb(Cd-Ca)H - L4: Cs-CtCtCtH - L4: Cs-CbCtCtH - L4: Cs-CbCbCtH - L4: Cs-CbCbCbH - - L3: Cs-CCCC - L4: Cs-CsCsCsCs - L4: Cs-CdsCsCsCs - L5: Cs-(Cds-Od)CsCsCs // C-COCCC - L5: Cs-(Cds-Cd)CsCsCs - L6: Cs-(Cds-Cds)CsCsCs // C-CdCCC - L6: Cs-(Cds-Cdd)CsCsCs - L7: Cs-(Cds-Cdd-Od)CsCsCs // C-CkCCC - L7: Cs-(Cds-Cdd-Cd)CsCsCs // C-(Cd-Ca)CCC - L4: Cs-CtCsCsCs - L4: Cs-CbCsCsCs - L4: Cs-CdsCdsCsCs - L5: Cs-(Cds-Od)(Cds-Od)CsCs // C-COCOCC - L5: Cs-(Cds-Od)(Cds-Cd)CsCs - L6: Cs-(Cds-Od)(Cds-Cds)CsCs // C-COCdCC - L6: Cs-(Cds-Od)(Cds-Cdd)CsCs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CsCs // C-COCkCC - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CsCs // C-CO(Cd-Ca)CC - L5: Cs-(Cds-Cd)(Cds-Cd)CsCs - L6: Cs-(Cds-Cds)(Cds-Cds)CsCs // C-CdCdCC - L6: Cs-(Cds-Cdd)(Cds-Cds)CsCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CsCs // Cs-CkCdCC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CsCs // Cs-(Cd-Ca)CdCC - L6: Cs-(Cds-Cdd)(Cds-Cdd)CsCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsCs // Cs-CkCkCC - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsCs // Cs-Ck(Cd-Ca)CC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsCs // Cs-(Cd-Ca)(Cd-Ca)CC - L4: Cs-CtCdsCsCs - L5: Cs-(Cds-Od)CtCsCs // C-COCtCC - L5: Cs-(Cds-Cd)CtCsCs - L6: Cs-(Cds-Cds)CtCsCs // C-CdCtCC - L6: Cs-(Cds-Cdd)CtCsCs - L7: Cs-(Cds-Cdd-Od)CtCsCs // C-CkCtCC - L7: Cs-(Cds-Cdd-Cd)CtCsCs // C-(Cd-Ca)CtCC - L4: Cs-CbCdsCsCs - L5: Cs-(Cds-Od)CbCsCs // C-COCbCC - L5: Cs-(Cds-Cd)CbCsCs - L6: Cs-(Cds-Cds)CbCsCs // C-CdCbCC - L6: Cs-(Cds-Cdd)CbCsCs - L7: Cs-(Cds-Cdd-Od)CbCsCs // C-CkCbCC - L7: Cs-(Cds-Cdd-Cd)CbCsCs // C-(Cd-Ca)CbCC - L4: Cs-CtCtCsCs - L4: Cs-CbCtCsCs - L4: Cs-CbCbCsCs - L4: Cs-CdsCdsCdsCs - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cs // C-COCOCOC - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cs - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cs // C-COCOCdC - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cs - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cs // C-COCOCkC - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cs // C-COCO(Cd-Ca)C - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cs - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cs // C-COCdCdC - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cs // Cs-COCkCdC - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cs // Cs-CO(Cd-Ca)CdC - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs // Cs-COCkCkC - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs // Cs-COCk(Cd-Ca)C - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs // Cs-CO(Cd-Ca)(Cd-Ca)C - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cs - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cs // C-CdCdCdC - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cs - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cs // C-CdCdCkC - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cs // C-CdCd(Cd-Ca)C - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cs - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs // C-CdCkCkC - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs // C-CdCk(Cd-Ca)C - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs // C-Cd(Cd-Ca)(Cd-Ca)C - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cs // C-CkCkCkC - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cs // C-CkCk(Cd-Ca)C - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs // C-Ck(Cd-Ca)(Cd-Ca)C - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cs // C-(Cd-Ca)(Cd-Ca)(Cd-Ca)C - L4: Cs-CtCdsCdsCs - L5: Cs-(Cds-Od)(Cds-Od)CtCs // C-COCOCtC - L5: Cs-(Cds-Od)(Cds-Cd)CtCs - L6: Cs-(Cds-Od)(Cds-Cds)CtCs // C-COCdCtC - L6: Cs-(Cds-Od)(Cds-Cdd)CtCs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CtCs // C-COCkCtC - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CtCs // C-CO(Cd-Ca)CtC - L5: Cs-(Cds-Cd)(Cds-Cd)CtCs - L6: Cs-(Cds-Cds)(Cds-Cds)CtCs // C-CdCdCtC - L6: Cs-(Cds-Cdd)(Cds-Cds)CtCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CtCs // Cs-CkCdCtC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCs // Cs-(Cd-Ca)CdCtC - L6: Cs-(Cds-Cdd)(Cds-Cdd)CtCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCs // Cs-CkCkCtC - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCs // Cs-Ck(Cd-Ca)CtC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCs // Cs-(Cd-Ca)(Cd-Ca)CtC - L4: Cs-CbCdsCdsCs - L5: Cs-(Cds-Od)(Cds-Od)CbCs // C-COCOCbC - L5: Cs-(Cds-Od)(Cds-Cd)CbCs - L6: Cs-(Cds-Od)(Cds-Cds)CbCs // C-COCdCbC - L6: Cs-(Cds-Od)(Cds-Cdd)CbCs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CbCs // C-COCkCbC - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CbCs // C-CO(Cd-Ca)CbC - L5: Cs-(Cds-Cd)(Cds-Cd)CbCs - L6: Cs-(Cds-Cds)(Cds-Cds)CbCs // C-CdCdCbC - L6: Cs-(Cds-Cdd)(Cds-Cds)CbCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CbCs // Cs-CkCdCbC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCs // Cs-(Cd-Ca)CdCbC - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbCs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCs // Cs-CkCkCbC - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCs // Cs-Ck(Cd-Ca)CbC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCs // Cs-(Cd-Ca)(Cd-Ca)CbC - L4: Cs-CtCtCdsCs - L5: Cs-(Cds-Od)CtCtCs // C-COCtCtC - L5: Cs-(Cds-Cd)CtCtCs - L6: Cs-(Cds-Cds)CtCtCs // C-CdCtCtC - L6: Cs-(Cds-Cdd)CtCtCs - L7: Cs-(Cds-Cdd-Od)CtCtCs // C-CkCtCtC - L7: Cs-(Cds-Cdd-Cd)CtCtCs // C-(Cd-Ca)CtCtC - L4: Cs-CbCtCdsCs - L5: Cs-(Cds-Od)CbCtCs // C-COCbCtC - L5: Cs-(Cds-Cd)CbCtCs - L6: Cs-(Cds-Cds)CbCtCs // C-CdCbCtC - L6: Cs-(Cds-Cdd)CbCtCs - L7: Cs-(Cds-Cdd-Od)CbCtCs // C-CkCbCtC - L7: Cs-(Cds-Cdd-Cd)CbCtCs // C-(Cd-Ca)CbCtC - L4: Cs-CbCbCdsCs - L5: Cs-(Cds-Od)CbCbCs // C-COCbCbC - L5: Cs-(Cds-Cd)CbCbCs - L6: Cs-(Cds-Cds)CbCbCs // C-CdCbCbC - L6: Cs-(Cds-Cdd)CbCbCs - L7: Cs-(Cds-Cdd-Od)CbCbCs // C-CkCbCbC - L7: Cs-(Cds-Cdd-Cd)CbCbCs // C-(Cd-Ca)CbCbC - L4: Cs-CtCtCtCs - L4: Cs-CbCtCtCs - L4: Cs-CbCbCtCs - L4: Cs-CbCbCbCs - L4: Cs-CdsCdsCdsCds - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Od) // C-COCOCOCO - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cd) - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cds) // C-COCOCOCd - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd) - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Od) // C-COCOCOCk - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Od)(Cds-Cdd-Cd) // C-COCOCO(Cd-Ca) - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)(Cds-Cd) - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)(Cds-Cds) // C-COCOCdCd - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cds) - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cds) // Cs-COCOCkCd - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds) // Cs-COCO(Cd-Ca)Cd - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) // Cs-COCOCkCk - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) // Cs-COCOCk(Cd-Ca) - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // Cs-COCO(Cd-Ca)(Cd-Ca) - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)(Cds-Cd) - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cds) // C-COCdCdCd - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd) - L7: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) // C-COCdCdCk - L7: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) // C-COCdCd(Cd-Ca) - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) // C-COCdCkCk - L7: Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) // C-COCdCk(Cd-Ca) - L7: Cs-(Cds-Od)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-COCd(Cd-Ca)(Cd-Ca) - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) // C-COCkCkCk - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) // C-COCkCk(Cd-Ca) - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-COCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CO(Cd-Ca)(Cd-Ca)(Cd-Ca) - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)(Cds-Cd) - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cds) // C-CdCdCdCd - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd) - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od) // C-CdCdCdCk - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd) // C-CdCdCd(Cd-Ca) - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od) // C-CdCdCkCk - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd) // C-CdCdCk(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CdCd(Cd-Ca)(Cd-Ca) - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) // C-CdCkCkCk - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) // C-CdCkCk(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CdCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-Cd(Cd-Ca)(Cd-Ca)(Cd-Ca) - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)(Cds-Cdd) - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od) // C-CkCkCkCk - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd) // C-CkCkCk(Cd-Ca) - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-CkCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-Ck(Cd-Ca)(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd) // C-(Cd-Ca)(Cd-Ca)(Cd-Ca)(Cd-Ca) - L4: Cs-CtCdsCdsCds - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)Ct // C-COCOCOCt - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Ct - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Ct // C-COCOCdCt - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Ct - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Ct // C-COCOCkCt - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Ct // C-COCO(Cd-Ca)Ct - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Ct - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Ct // C-COCdCdCt - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Ct - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Ct // Cs-COCkCdCt - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Ct // Cs-CO(Cd-Ca)CdCt - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Ct - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct // Cs-COCkCkCt - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct // Cs-COCk(Cd-Ca)Ct - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct // Cs-CO(Cd-Ca)(Cd-Ca)Ct - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Ct - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Ct // C-CdCdCdCt - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Ct - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Ct // C-CdCdCkCt - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Ct // C-CdCd(Cd-Ca)Ct - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Ct - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct // C-CdCkCkCt - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct // C-CdCk(Cd-Ca)Ct - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct // C-Cd(Cd-Ca)(Cd-Ca)Ct - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Ct - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Ct // C-CkCkCkCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Ct // C-CkCk(Cd-Ca)Ct - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct // C-Ck(Cd-Ca)(Cd-Ca)Ct - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Ct // C-(Cd-Ca)(Cd-Ca)(Cd-Ca)Ct - L4: Cs-CbCdsCdsCds - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)Cb // C-COCOCOCb - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Cb - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Cb // C-COCOCdCb - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Cb - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Cb // C-COCOCkCb - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Cb // C-COCO(Cd-Ca)Cb - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Cb - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Cb // C-COCdCdCb - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Cb - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Cb // Cs-COCkCdCb - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Cb // Cs-CO(Cd-Ca)CdCb - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Cb - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb // Cs-COCkCkCb - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb // Cs-COCk(Cd-Ca)Cb - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb // Cs-CO(Cd-Ca)(Cd-Ca)Cb - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Cb - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Cb // C-CdCdCdCb - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Cb - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Cb // C-CdCdCkCb - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Cb // C-CdCd(Cd-Ca)Cb - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Cb - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb // C-CdCkCkCb - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb // C-CdCk(Cd-Ca)Cb - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb // C-Cd(Cd-Ca)(Cd-Ca)Cb - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Cb - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Cb // C-CkCkCkCb - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Cb // C-CkCk(Cd-Ca)Cb - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb // C-Ck(Cd-Ca)(Cd-Ca)Cb - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Cb // C-(Cd-Ca)(Cd-Ca)(Cd-Ca)Cb - L4: Cs-CtCtCdsCds - L5: Cs-(Cds-Od)(Cds-Od)CtCt // C-COCOCtCt - L5: Cs-(Cds-Od)(Cds-Cd)CtCt - L6: Cs-(Cds-Od)(Cds-Cds)CtCt // C-COCdCtCt - L6: Cs-(Cds-Od)(Cds-Cdd)CtCt - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CtCt // C-COCkCtCt - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CtCt // C-CO(Cd-Ca)CtCt - L5: Cs-(Cds-Cd)(Cds-Cd)CtCt - L6: Cs-(Cds-Cds)(Cds-Cds)CtCt // C-CdCdCtCt - L6: Cs-(Cds-Cdd)(Cds-Cds)CtCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CtCt // Cs-CkCdCtCt - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CtCt // Cs-(Cd-Ca)CdCtCt - L6: Cs-(Cds-Cdd)(Cds-Cdd)CtCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtCt // Cs-CkCkCtCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtCt // Cs-Ck(Cd-Ca)CtCt - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtCt // Cs-(Cd-Ca)(Cd-Ca)CtCt - L4: Cs-CbCtCdsCds - L5: Cs-(Cds-Od)(Cds-Od)CbCt // C-COCOCbCt - L5: Cs-(Cds-Od)(Cds-Cd)CbCt - L6: Cs-(Cds-Od)(Cds-Cds)CbCt // C-COCdCbCt - L6: Cs-(Cds-Od)(Cds-Cdd)CbCt - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CbCt // C-COCkCbCt - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CbCt // C-CO(Cd-Ca)CbCt - L5: Cs-(Cds-Cd)(Cds-Cd)CbCt - L6: Cs-(Cds-Cds)(Cds-Cds)CbCt // C-CdCdCbCt - L6: Cs-(Cds-Cdd)(Cds-Cds)CbCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CbCt // Cs-CkCdCbCt - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCt // Cs-(Cd-Ca)CdCbCt - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCt // Cs-CkCkCbCt - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCt // Cs-Ck(Cd-Ca)CbCt - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCt // Cs-(Cd-Ca)(Cd-Ca)CbCt - L4: Cs-CbCbCdsCds - L5: Cs-(Cds-Od)(Cds-Od)CbCb // C-COCOCbCb - L5: Cs-(Cds-Od)(Cds-Cd)CbCb - L6: Cs-(Cds-Od)(Cds-Cds)CbCb // C-COCdCbCb - L6: Cs-(Cds-Od)(Cds-Cdd)CbCb - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CbCb // C-COCkCbCb - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CbCb // C-CO(Cd-Ca)CbCb - L5: Cs-(Cds-Cd)(Cds-Cd)CbCb - L6: Cs-(Cds-Cds)(Cds-Cds)CbCb // C-CdCdCbCb - L6: Cs-(Cds-Cdd)(Cds-Cds)CbCb - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CbCb // Cs-CkCdCbCb - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbCb // Cs-(Cd-Ca)CdCbCb - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbCb - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbCb // Cs-CkCkCbCb - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbCb // Cs-Ck(Cd-Ca)CbCb - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbCb // Cs-(Cd-Ca)(Cd-Ca)CbCb - L4: Cs-CtCtCtCds - L5: Cs-(Cds-Od)CtCtCt // C-COCtCtCt - L5: Cs-(Cds-Cd)CtCtCt - L6: Cs-(Cds-Cds)CtCtCt // C-CdCtCtCt - L6: Cs-(Cds-Cdd)CtCtCt - L7: Cs-(Cds-Cdd-Od)CtCtCt // C-CkCtCtCt - L7: Cs-(Cds-Cdd-Cd)CtCtCt // C-(Cd-Ca)CtCtCt - L4: Cs-CbCtCtCds - L5: Cs-(Cds-Od)CbCtCt // C-COCbCtCt - L5: Cs-(Cds-Cd)CbCtCt - L6: Cs-(Cds-Cds)CbCtCt // C-CdCbCtCt - L6: Cs-(Cds-Cdd)CbCtCt - L7: Cs-(Cds-Cdd-Od)CbCtCt // C-CkCbCtCt - L7: Cs-(Cds-Cdd-Cd)CbCtCt // C-(Cd-Ca)CbCtCt - L4: Cs-CbCbCtCds - L5: Cs-(Cds-Od)CbCbCt // C-COCbCbCt - L5: Cs-(Cds-Cd)CbCbCt - L6: Cs-(Cds-Cds)CbCbCt // C-CdCbCbCt - L6: Cs-(Cds-Cdd)CbCbCt - L7: Cs-(Cds-Cdd-Od)CbCbCt // C-CkCbCbCt - L7: Cs-(Cds-Cdd-Cd)CbCbCt // C-(Cd-Ca)CbCbCt - L4: Cs-CbCbCbCds - L5: Cs-(Cds-Od)CbCbCb // C-COCbCbCb - L5: Cs-(Cds-Cd)CbCbCb - L6: Cs-(Cds-Cds)CbCbCb // C-CdCbCbCb - L6: Cs-(Cds-Cdd)CbCbCb - L7: Cs-(Cds-Cdd-Od)CbCbCb // C-CkCbCbCb - L7: Cs-(Cds-Cdd-Cd)CbCbCb // C-(Cd-Ca)CbCbCb - L4: Cs-CtCtCtCt - L4: Cs-CbCtCtCt - L4: Cs-CbCbCtCt - L4: Cs-CbCbCbCt - L4: Cs-CbCbCbCb - - L3: Cs-CCCOs - L4: Cs-CsCsCsOs - L4: Cs-CdsCsCsOs - L5: Cs-(Cds-Od)CsCsOs // C-OCOCC - L5: Cs-(Cds-Cd)CsCsOs - L6: Cs-(Cds-Cds)CsCsOs // C-OCdCC - L6: Cs-(Cds-Cdd)CsCsOs - L7: Cs-(Cds-Cdd-Od)CsCsOs // C-OCkCC - L7: Cs-(Cds-Cdd-Cd)CsCsOs // C-O(Cd-Ca)CC - L4: Cs-OsCtCsCs - L4: Cs-CbCsCsOs - L4: Cs-CdsCdsCsOs - L5: Cs-(Cds-Od)(Cds-Od)CsOs // C-OCOCOC - L5: Cs-(Cds-Od)(Cds-Cd)CsOs - L6: Cs-(Cds-Od)(Cds-Cds)CsOs // C-OCOCdC - L6: Cs-(Cds-Od)(Cds-Cdd)CsOs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CsOs // C-OCOCkC - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CsOs // C-OCO(Cd-Ca)C - L5: Cs-(Cds-Cd)(Cds-Cd)CsOs - L6: Cs-(Cds-Cds)(Cds-Cds)CsOs // C-OCdCdC - L6: Cs-(Cds-Cdd)(Cds-Cds)CsOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CsOs // Cs-OCkCdC - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CsOs // Cs-O(Cd-Ca)CdC - L6: Cs-(Cds-Cdd)(Cds-Cdd)CsOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CsOs // Cs-OCkCkC - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CsOs // Cs-OCk(Cd-Ca)C - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CsOs // Cs-O(Cd-Ca)(Cd-Ca)C - L4: Cs-CtCdsCsOs - L5: Cs-(Cds-Od)CtCsOs // C-OCOCtC - L5: Cs-(Cds-Cd)CtCsOs - L6: Cs-(Cds-Cds)CtCsOs // C-OCdCtC - L6: Cs-(Cds-Cdd)CtCsOs - L7: Cs-(Cds-Cdd-Od)CtCsOs // C-OCkCtC - L7: Cs-(Cds-Cdd-Cd)CtCsOs // C-O(Cd-Ca)CtC - L4: Cs-CbCdsCsOs - L5: Cs-(Cds-Od)CbCsOs // C-OCOCbC - L5: Cs-(Cds-Cd)CbCsOs - L6: Cs-(Cds-Cds)CbCsOs // C-OCdCbC - L6: Cs-(Cds-Cdd)CbCsOs - L7: Cs-(Cds-Cdd-Od)CbCsOs // C-OCkCbC - L7: Cs-(Cds-Cdd-Cd)CbCsOs // C-O(Cd-Ca)CbC - L4: Cs-CtCtCsOs - L4: Cs-CbCtCsOs - L4: Cs-CbCbCsOs - L4: Cs-CdsCdsCdsOs - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Od)Os // C-OCOCOCO - L5: Cs-(Cds-Od)(Cds-Od)(Cds-Cd)Os - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cds)Os // C-OCOCOCd - L6: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd)Os - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Od)Os // C-OCOCOCk - L7: Cs-(Cds-Od)(Cds-Od)(Cds-Cdd-Cd)Os // C-OCOCO(Cd-Ca) - L5: Cs-(Cds-Od)(Cds-Cd)(Cds-Cd)Os - L6: Cs-(Cds-Od)(Cds-Cds)(Cds-Cds)Os // C-OCOCdCd - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cds)Os - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cds)Os // Cs-OCOCkCd - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cds)Os // Cs-OCO(Cd-Ca)Cd - L6: Cs-(Cds-Od)(Cds-Cdd)(Cds-Cdd)Os - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os // Cs-OCOCkCk - L7: Cs-(Cds-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os // Cs-OCOCk(Cd-Ca) - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os // Cs-OCO(Cd-Ca)(Cd-Ca) - L5: Cs-(Cds-Cd)(Cds-Cd)(Cds-Cd)Os - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)Os // C-OCdCdCd - L6: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd)Os - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Od)Os // C-OCdCdCk - L7: Cs-(Cds-Cds)(Cds-Cds)(Cds-Cdd-Cd)Os // C-OCdCd(Cd-Ca) - L6: Cs-(Cds-Cds)(Cds-Cdd)(Cds-Cdd)Os - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Od)Os // C-OCdCkCk - L7: Cs-(Cds-Cds)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os // C-OCdCk(Cd-Ca) - L7: Cs-(Cds-Cds)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os // C-OCd(Cd-Ca)(Cd-Ca) - L6: Cs-(Cds-Cdd)(Cds-Cdd)(Cds-Cdd)Os - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Od)Os // C-OCkCkCk - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)(Cds-Cdd-Cd)Os // C-OCkCk(Cd-Ca) - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os // C-OCk(Cd-Ca)(Cd-Ca) - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)(Cds-Cdd-Cd)Os // C-O(Cd-Ca)(Cd-Ca)(Cd-Ca) - L4: Cs-CtCdsCdsOs - L5: Cs-(Cds-Od)(Cds-Od)CtOs // C-COCOCtO - L5: Cs-(Cds-Od)(Cds-Cd)CtOs - L6: Cs-(Cds-Od)(Cds-Cds)CtOs // C-COCdCtO - L6: Cs-(Cds-Od)(Cds-Cdd)CtOs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CtOs // C-COCkCtO - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CtOs // C-CO(Cd-Ca)CtO - L5: Cs-(Cds-Cd)(Cds-Cd)CtOs - L6: Cs-(Cds-Cds)(Cds-Cds)CtOs // C-CdCdCtO - L6: Cs-(Cds-Cdd)(Cds-Cds)CtOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CtOs // Cs-CkCdCtO - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CtOs // Cs-(Cd-Ca)CdCtO - L6: Cs-(Cds-Cdd)(Cds-Cdd)CtOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CtOs // Cs-CkCkCtO - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CtOs // Cs-Ck(Cd-Ca)CtO - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CtOs // Cs-(Cd-Ca)(Cd-Ca)CtO - L4: Cs-CbCdsCdsOs - L5: Cs-(Cds-Od)(Cds-Od)CbOs // C-COCOCbO - L5: Cs-(Cds-Od)(Cds-Cd)CbOs - L6: Cs-(Cds-Od)(Cds-Cds)CbOs // C-COCdCbO - L6: Cs-(Cds-Od)(Cds-Cdd)CbOs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)CbOs // C-COCkCbO - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)CbOs // C-CO(Cd-Ca)CbO - L5: Cs-(Cds-Cd)(Cds-Cd)CbOs - L6: Cs-(Cds-Cds)(Cds-Cds)CbOs // C-CdCdCbO - L6: Cs-(Cds-Cdd)(Cds-Cds)CbOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)CbOs // Cs-CkCdCbO - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)CbOs // Cs-(Cd-Ca)CdCbO - L6: Cs-(Cds-Cdd)(Cds-Cdd)CbOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)CbOs // Cs-CkCkCbO - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)CbOs // Cs-Ck(Cd-Ca)CbO - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)CbOs // Cs-(Cd-Ca)(Cd-Ca)CbO - L4: Cs-CtCtCdsOs - L5: Cs-(Cds-Od)CtCtOs // C-OCOCtCt - L5: Cs-(Cds-Cd)CtCtOs - L6: Cs-(Cds-Cds)CtCtOs // C-OCdCtCt - L6: Cs-(Cds-Cdd)CtCtOs - L7: Cs-(Cds-Cdd-Od)CtCtOs // C-OCkCtCt - L7: Cs-(Cds-Cdd-Cd)CtCtOs // C-O(Cd-Ca)CtCt - L4: Cs-CbCtCdsOs - L5: Cs-(Cds-Od)CbCtOs // C-OCOCbCt - L5: Cs-(Cds-Cd)CbCtOs - L6: Cs-(Cds-Cds)CbCtOs // C-OCdCbCt - L6: Cs-(Cds-Cdd)CbCtOs - L7: Cs-(Cds-Cdd-Od)CbCtOs // C-OCkCbCt - L7: Cs-(Cds-Cdd-Cd)CbCtOs // C-O(Cd-Ca)CbCt - L4: Cs-CbCbCdsOs - L5: Cs-(Cds-Od)CbCbOs // C-OCOCbCb - L5: Cs-(Cds-Cd)CbCbOs - L6: Cs-(Cds-Cds)CbCbOs // C-OCdCbCb - L6: Cs-(Cds-Cdd)CbCbOs - L7: Cs-(Cds-Cdd-Od)CbCbOs // C-OCkCbCb - L7: Cs-(Cds-Cdd-Cd)CbCbOs // C-O(Cd-Ca)CbCb - L4: Cs-CtCtCtOs - L4: Cs-CbCtCtOs - L4: Cs-CbCbCtOs - L4: Cs-CbCbCbOs - - L3: Cs-CCOsOs - L4: Cs-CsCsOsOs - L4: Cs-CdsCsOsOs - L5: Cs-(Cds-Od)CsOsOs // C-OOCOC - L5: Cs-(Cds-Cd)CsOsOs - L6: Cs-(Cds-Cds)CsOsOs // C-OOCdC - L6: Cs-(Cds-Cdd)CsOsOs - L7: Cs-(Cds-Cdd-Od)CsOsOs // C-OOCkC - L7: Cs-(Cds-Cdd-Cd)CsOsOs // C-OO(Cd-Ca)C - L4: Cs-CdsCdsOsOs - L5: Cs-(Cds-Od)(Cds-Od)OsOs // C-OOCOCO - L5: Cs-(Cds-Od)(Cds-Cd)OsOs - L6: Cs-(Cds-Od)(Cds-Cds)OsOs // C-OOCOCd - L6: Cs-(Cds-Od)(Cds-Cdd)OsOs - L7: Cs-(Cds-Od)(Cds-Cdd-Od)OsOs // C-OOCOCk - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)OsOs // C-OOCO(Cd-Ca) - L5: Cs-(Cds-Cd)(Cds-Cd)OsOs - L6: Cs-(Cds-Cds)(Cds-Cds)OsOs // C-CdCdOO - L6: Cs-(Cds-Cdd)(Cds-Cds)OsOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)OsOs // Cs-OOCkCd - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)OsOs // Cs-OO(Cd-Ca)Cd - L6: Cs-(Cds-Cdd)(Cds-Cdd)OsOs - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsOs // Cs-OOCkCk - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsOs // Cs-OOCk(Cd-Ca) - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsOs // Cs-OO(Cd-Ca)(Cd-Ca) - L4: Cs-CtCsOsOs - L4: Cs-CtCdsOsOs - L5: Cs-(Cds-Od)CtOsOs // C-OOCOCt - L5: Cs-(Cds-Cd)CtOsOs - L6: Cs-(Cds-Cds)CtOsOs // C-OOCdCt - L6: Cs-(Cds-Cdd)CtOsOs - L7: Cs-(Cds-Cdd-Od)CtOsOs // C-OOCkCt - L7: Cs-(Cds-Cdd-Cd)CtOsOs // C-OO(Cd-Ca)Ct - L4: Cs-CtCtOsOs - L4: Cs-CbCsOsOs - L4: Cs-CbCdsOsOs - L5: Cs-(Cds-Od)CbOsOs // C-OOCOCb - L5: Cs-(Cds-Cd)CbOsOs - L6: Cs-(Cds-Cds)CbOsOs // C-OOCdCb - L6: Cs-(Cds-Cdd)CbOsOs - L7: Cs-(Cds-Cdd-Od)CbOsOs // C-OOCkCb - L7: Cs-(Cds-Cdd-Cd)CbOsOs // C-OO(Cd-Ca)Cb - L4: Cs-CbCtOsOs - L4: Cs-CbCbOsOs - - L3: Cs-COsOsOs - L4: Cs-CsOsOsOs - L4: Cs-CdsOsOsOs - L5: Cs-(Cds-Od)OsOsOs // C-OOOCO - L5: Cs-(Cds-Cd)OsOsOs - L6: Cs-(Cds-Cds)OsOsOs // C-OOOCd - L6: Cs-(Cds-Cdd)OsOsOs - L7: Cs-(Cds-Cdd-Od)OsOsOs // C-OOOCk - L7: Cs-(Cds-Cdd-Cd)OsOsOs // C-OOO(Cd-Ca) - L4: Cs-CtOsOsOs - L4: Cs-CbOsOsOs - - L3: Cs-OsOsOsOs - - L3: Cs-COsOsH - L4: Cs-CsOsOsH - L4: Cs-CdsOsOsH - L5: Cs-(Cds-Od)OsOsH // C-OOCOH - L5: Cs-(Cds-Cd)OsOsH - L6: Cs-(Cds-Cds)OsOsH // C-OOCdH - L6: Cs-(Cds-Cdd)OsOsH - L7: Cs-(Cds-Cdd-Od)OsOsH // C-OOCkH - L7: Cs-(Cds-Cdd-Cd)OsOsH // C-OO(Cd-Ca)H - L4: Cs-CtOsOsH - L4: Cs-CbOsOsH - - L3: Cs-CCOsH - L4: Cs-CsCsOsH - L4: Cs-CdsCsOsH - L5: Cs-(Cds-Od)CsOsH // C-OCOCH - L5: Cs-(Cds-Cd)CsOsH - L6: Cs-(Cds-Cds)CsOsH // C-OCdCH - L6: Cs-(Cds-Cdd)CsOsH - L7: Cs-(Cds-Cdd-Od)CsOsH // C-OCkCH - L7: Cs-(Cds-Cdd-Cd)CsOsH // C-O(Cd-Ca)CH - L4: Cs-CdsCdsOsH - L5: Cs-(Cds-Od)(Cds-Od)OsH // C-OCOCOH - L5: Cs-(Cds-Od)(Cds-Cd)OsH - L6: Cs-(Cds-Od)(Cds-Cds)OsH // C-OCOCdH - L6: Cs-(Cds-Od)(Cds-Cdd)OsH - L7: Cs-(Cds-Od)(Cds-Cdd-Od)OsH // C-OCOCkH - L7: Cs-(Cds-Od)(Cds-Cdd-Cd)OsH // C-OCO(Cd-Ca)H - L5: Cs-(Cds-Cd)(Cds-Cd)OsH - L6: Cs-(Cds-Cds)(Cds-Cds)OsH // C-CdCdOH - L6: Cs-(Cds-Cdd)(Cds-Cds)OsH - L7: Cs-(Cds-Cdd-Od)(Cds-Cds)OsH // Cs-OCkCdH - L7: Cs-(Cds-Cdd-Cd)(Cds-Cds)OsH // Cs-O(Cd-Ca)CdH - L6: Cs-(Cds-Cdd)(Cds-Cdd)OsH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Od)OsH // Cs-OCkCkH - L7: Cs-(Cds-Cdd-Od)(Cds-Cdd-Cd)OsH // Cs-OCk(Cd-Ca)H - L7: Cs-(Cds-Cdd-Cd)(Cds-Cdd-Cd)OsH // Cs-O(Cd-Ca)(Cd-Ca)H - L4: Cs-CtCsOsH - L4: Cs-CtCdsOsH - L5: Cs-(Cds-Od)CtOsH // C-OCOCtH - L5: Cs-(Cds-Cd)CtOsH - L6: Cs-(Cds-Cds)CtOsH // C-OCdCtH - L6: Cs-(Cds-Cdd)CtOsH - L7: Cs-(Cds-Cdd-Od)CtOsH // C-OCkCtH - L7: Cs-(Cds-Cdd-Cd)CtOsH // C-O(Cd-Ca)CtH - L4: Cs-CtCtOsH - L4: Cs-CbCsOsH - L4: Cs-CbCdsOsH - L5: Cs-(Cds-Od)CbOsH // C-OCOCbH - L5: Cs-(Cds-Cd)CbOsH - L6: Cs-(Cds-Cds)CbOsH // C-OCdCbH - L6: Cs-(Cds-Cdd)CbOsH - L7: Cs-(Cds-Cdd-Od)CbOsH // C-OCkCbH - L7: Cs-(Cds-Cdd-Cd)CbOsH // C-O(Cd-Ca)CbH - L4: Cs-CbCtOsH - L4: Cs-CbCbOsH - - L3: Cs-COsHH - L4: Cs-CsOsHH - L4: Cs-CdsOsHH - L5: Cs-(Cds-Od)OsHH // C-OCOHH - L5: Cs-(Cds-Cd)OsHH - L6: Cs-(Cds-Cds)OsHH // C-OCdHH - L6: Cs-(Cds-Cdd)OsHH - L7: Cs-(Cds-Cdd-Od)OsHH // C-OCkHH - L7: Cs-(Cds-Cdd-Cd)OsHH // C-O(Cd-Ca)HH - L4: Cs-CtOsHH - L4: Cs-CbOsHH - - -////////////////////////////////////////////////////////////////// -// Oxygen Tree -// Joanna Yu -// Oct. 18, 2002 -////////////////////////////////////////////////////////////////// - -////////////////////////////////////////////////////////////////// -//Thermo Tree & Nomenclature for groups with O as the central atom -// -//O Carbon atom, bonds are still not defined -//Os Oxygen atom with two single bonds -//Od Oxygen atom with one double bond -//C Carbon atom, bonds are still not defined -//Ct Carbon atom with one triple bond and one single bond -//Cdd Carbon atom with two double bonds -//Cds Carbon atom with one double bond and two single bonds -//Cs Carbon atom with four single bonds -//Cd Carbon atom with one double bond and the rest not defined -//Cb Carbon atom belonging to a benzene ring -//CO Non central carbon atom bonded with a double bond to a non central O -//H Hydrogen atom -////////////////////////////////////////////////////////////////// - -L1: O - L2: Od - L3: Od-Cd // This group is not defined here. C is central atom, go to carbon tree - L3: Od-Od - - L2: Os - L3: Os-HH - L3: Os-OsH - L3: Os-OsOs - L3: Os-CH - L4: Os-CtH - L4: Os-CdsH - L5: Os-(Cds-Od)H // O-COH - L5: Os-(Cds-Cd)H // O-CdH - L4: Os-CsH - L4: Os-CbH - L3: Os-OsC - L4: Os-OsCt - L4: Os-OsCds - L5: Os-Os(Cds-Od) // O-OCO - L5: Os-Os(Cds-Cd) // O-OCd - L4: Os-OsCs - L4: Os-OsCb - L3: Os-CC - L4: Os-CtCt - L4: Os-CtCds - L5: Os-Ct(Cds-Od) // O-CtCO - L5: Os-Ct(Cds-Cd) // O-CtCd - L4: Os-CtCs - L4: Os-CtCb - L4: Os-CdsCds - L5: Os-(Cds-Od)(Cds-Od) // O-COCO - L5: Os-(Cds-Od)(Cds-Cd) // O-COCd - L5: Os-(Cds-Cd)(Cds-Cd) // O-CdCd - L4: Os-CdsCs - L5: Os-Cs(Cds-Od) // O-CsCO - L5: Os-Cs(Cds-Cd) // O-CsCd - L4: Os-CdsCb - L5: Os-Cb(Cds-Od) // O-CbCO - L5: Os-Cb(Cds-Cd) // O-CbCd - L4: Os-CsCs - L4: Os-CsCb - L4: Os-CbCb - - - - - - - - diff --git a/output/RMG_database_sulfur/thermo_groups/primaryThermoLibrary/CVS/Entries b/output/RMG_database_sulfur/thermo_groups/primaryThermoLibrary/CVS/Entries deleted file mode 100644 index c044f90401..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/primaryThermoLibrary/CVS/Entries +++ /dev/null @@ -1,2 +0,0 @@ -/Dictionary.txt/1.2/Tue Jul 7 15:22:49 2009// -/Library.txt/1.2/Tue Jul 7 15:22:49 2009// diff --git a/output/RMG_database_sulfur/thermo_groups/primaryThermoLibrary/CVS/Repository b/output/RMG_database_sulfur/thermo_groups/primaryThermoLibrary/CVS/Repository deleted file mode 100644 index 3d0c71c334..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/primaryThermoLibrary/CVS/Repository +++ /dev/null @@ -1 +0,0 @@ -RMG_database/thermo/primaryThermoLibrary diff --git a/output/RMG_database_sulfur/thermo_groups/primaryThermoLibrary/CVS/Root b/output/RMG_database_sulfur/thermo_groups/primaryThermoLibrary/CVS/Root deleted file mode 100644 index 1bcfd4c0ae..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/primaryThermoLibrary/CVS/Root +++ /dev/null @@ -1 +0,0 @@ -:extssh:mrharper@monch.mit.edu:/home/cvs diff --git a/output/RMG_database_sulfur/thermo_groups/primaryThermoLibrary/Dictionary.txt b/output/RMG_database_sulfur/thermo_groups/primaryThermoLibrary/Dictionary.txt deleted file mode 100644 index a29a7acad2..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/primaryThermoLibrary/Dictionary.txt +++ /dev/null @@ -1,24 +0,0 @@ -H2 -1 H 0 {2,S} -2 H 0 {1,S} - -H -1 H 1 - -C2O2 -1 C 0 {2,D} {3,D} -2 C 0 {1,D} {4,D} -3 O 0 {1,D} -4 O 0 {2,D} - -O2 -1 O 1 {2,S} -2 O 1 {1,S} - -S2 -1 S 1 {2,S} -2 S 1 {1,S} - -HCS -1 C 1 {2,D} -2 S 0 {1,D} \ No newline at end of file diff --git a/output/RMG_database_sulfur/thermo_groups/primaryThermoLibrary/Library.txt b/output/RMG_database_sulfur/thermo_groups/primaryThermoLibrary/Library.txt deleted file mode 100644 index 39d84371c6..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/primaryThermoLibrary/Library.txt +++ /dev/null @@ -1,7 +0,0 @@ -//Name H298 S298 Cp300 Cp400 Cp500 Cp600 Cp800 Cp1000 Cp1500 dH dS dCp Comments -H2 0.000 31.233 6.895 6.975 6.994 7.009 7.081 7.219 7.720 0 0.0007 0 "library value for H2" -H 52.103 27.419 4.968 4.968 4.968 4.968 4.968 4.968 4.968 0.001 0.0005 0 "library value for H radical" -C2O2 14.90 57.613 11.00 12.00 13.00 14.00 15.00 16.00 17.00 0 0 0 "G03 CBSQB3 calculation - Cp values estimated poorly" -O2 0 50.35 7 7.15 7.36 7.59 7.97 8.24 8.58 0 0 0 "CBS-QB3 value A.G. Vandeputte" -S2 29.19 55.96 7.81 8.17 8.40 8.54 8.70 8.78 8.87 0 0 0 "CBS-QB3 value A.G. Vandeputte" -HCS 71.7 56.37 8.77 9.46 10.04 10.51 11.22 11.76 12.62 0 0 0 "NIST value + B3LYP/cbsb7 entropy and heat cap A.G. Vandeputte" diff --git a/output/RMG_database_sulfur/thermo_groups/thermal_web.txt b/output/RMG_database_sulfur/thermo_groups/thermal_web.txt deleted file mode 100644 index 5396b033e2..0000000000 --- a/output/RMG_database_sulfur/thermo_groups/thermal_web.txt +++ /dev/null @@ -1,3 +0,0 @@ -http://webbook.nist.gov/chemistry/ -http://cea.grc.nasa.gov/index.html -http://www.me.berkeley.edu/gri_mech/data/thermo_table.html \ No newline at end of file diff --git a/output/RMG_database_sulfur/virtualAtoms/basic/virtualAtoms.orig b/output/RMG_database_sulfur/virtualAtoms/basic/virtualAtoms.orig deleted file mode 100644 index 141a4f4d16..0000000000 --- a/output/RMG_database_sulfur/virtualAtoms/basic/virtualAtoms.orig +++ /dev/null @@ -1,54 +0,0 @@ -Cs 4,4,4 -1 * C 0 {2,{S,R}} {3,{S,R}} {4,{S,R}} {5,S} -<2> R 0 {1,{S,R}} -<3> R 0 {1,{S,R}} -<4> R 0 {1,{S,R}} -<5> R 0 {1,S} - -Cd 4,4,4 -1 * C 0 {2,D} {3,{S,R}} {4,{S,R}} -<2> C 0 {1,D} -<3> R 0 {1,{S,R}} -<4> R 0 {1,{S,R}} - -Cdd 4,4,4 -1 * C 0 {2,D} {3,D} -<2> R 0 {1,D} -<3> R 0 {1,D} - -Ct 4,4,4 -1 * C 0 {2,T} -<2> C 0 {1,T} - -Cb 4,4,4 -1 * C 0 {2,B} {3,B} -<2> C 0 {1,B} -<3> C 0 {1,B} - -Cbf 4,4,4 -1 * C 0 {2,B} {3,B} {4,B} -<2> C 0 {1,B} -<3> C 0 {1,B} -<4> C 0 {1,B} - -CO 4,4,4 -1 * C 0 {2,D} {3,{S,R}} {4,{S,R}} -<2> O 0 {1,D} -<3> R 0 {1,{S,R}} -<4> R 0 {1,{S,R}} - -Os 2,0,2 -1 * O 0 {2,{S,R}} {3,{S,R}} -<2> R 0 {1,{S,R}} -<3> R 0 {1,{S,R}} - -Od 2,0,2 -1 * O 0 {2,D} -<2> R 0 {1,D} - -Oa 2,0,2 -1 * O 0 - -R!H 10,0,0 -1 * {R~H} 0 - diff --git a/output/RMG_database_sulfur/virtualAtoms/basic/virtualAtoms.txt b/output/RMG_database_sulfur/virtualAtoms/basic/virtualAtoms.txt deleted file mode 100644 index 0733045523..0000000000 --- a/output/RMG_database_sulfur/virtualAtoms/basic/virtualAtoms.txt +++ /dev/null @@ -1,163 +0,0 @@ -Cs 4,4,4 -1 * C 0 {2,{S,R}} {3,{S,R}} {4,{S,R}} {5,S} -<2> R 0 {1,{S,R}} -<3> R 0 {1,{S,R}} -<4> R 0 {1,{S,R}} -<5> R 0 {1,S} - -Cd 4,4,4 -1 * C 0 {2,D} {3,{S,R}} {4,{S,R}} -<2> R 0 {1,D} -<3> R 0 {1,{S,R}} -<4> R 0 {1,{S,R}} - -Cdd 4,4,4 -1 * C 0 {2,D} {3,D} -<2> R 0 {1,D} -<3> R 0 {1,D} - -Ct 4,4,4 -1 * C 0 {2,T} {3,{S,R}} -<2> C 0 {1,T} -<3> R 0 {1,{S,R}} - -Cb 4,4,4 -1 * C 0 {2,B} {3,B} {4,{S,R}} -<2> C 0 {1,B} -<3> C 0 {1,B} -<4> R 0 {1,{S,R}} - -Cbf 4,4,4 -1 * C 0 {2,B} {3,B} {4,B} -<2> C 0 {1,B} -<3> C 0 {1,B} -<4> C 0 {1,B} - -CO 4,4,4 -1 * C 0 {2,D} {3,{S,R}} {4,{S,R}} -<2> O 0 {1,D} -<3> R 0 {1,{S,R}} -<4> R 0 {1,{S,R}} - -CSS 4,4,4 -1 * C 0 {2,D} {3,D} -<2> S 0 {1,D} -<3> S 0 {1,D} - -Os 2,0,2 -1 * O 0 {2,{S,R}} {3,{S,R}} -<2> R 0 {1,{S,R}} -<3> R 0 {1,{S,R}} - -Od 2,0,2 -1 * O 0 {2,D} -<2> R 0 {1,D} - -Oa 2,0,2 -1 * O 0 - -Ss 2,0,2 -1 * S 0 {2,{S,R}} {3,{S,R}} -<2> R 0 {1,{S,R}} -<3> R 0 {1,{S,R}} - -Sd 2,0,2 -1 * S 0 {2,D} -<2> R 0 {1,D} - -Sa 2,0,2 -1 * S 0 - -R!H 10,0,0 -1 * {R~H} 0 - -Rx 10,0,0 -1 * {R~H~C} 0 - -Rch 10,0,0 -1 * {C,H} 0 - -Cx1 4,4,4 -1 * C 0 {2,{T,B,D,S}} {3,{T,B,D,S,R}} {4,{S,R}} {5,{S,R}} -<2> Rx 0 {1,{T,B,D,S}} -<3> Rch 0 {1,{T,B,D,S,R}} -<4> Rch 0 {1,{S,R}} -<5> Rch 0 {1,{S,R}} - -My_group -1 * C 0 {2,S} {3,S} {4,S} {5,S} -<2> Rch 0 {1,S} -<3> Rch 0 {1,S} -<4> Rch 0 {1,S} -<5> Rch 0 {1,S} - -Css!H 4,4,4 -1 * C 0 {2,{S,R}} {3,{S,R}} {4,{S,R}} {5,S} -<2> {R~H} 0 {1,{S,R}} -<3> {R~H} 0 {1,{S,R}} -<4> {R~H} 0 {1,{S,R}} -<5> {R~H} 0 {1,S} - -C_test 4,4,4 -1 * C 0 {2,{T,B,D,X,S}} {3,{B,D,X,S,R}} {4,{X,S,R}} {5,{X,S,R}} -<2> C 0 {1,{T,B,D,X,S}} -<3> C 0 {1,{B,D,X,S,R}} -<4> C 0 {1,{X,S,R}} -<5> C 0 {1,{X,S,R}} - -Rx1 10,0,0 -1 * {R~H~C} 0 - -Rx2 10,0,0 -1 * {R~H~C} 0 - -Rx3 10,0,0 -1 * {R~H~C} 0 - -Rx4 10,0,0 -1 * {R~H~C} 0 - -Rx5 10,0,0 -1 * {R~H~C} 0 - -Rx6 10,0,0 -1 * {R~H~C} 0 - -Rx7 10,0,0 -1 * {R~H~C} 0 - -Rx8 10,0,0 -1 * {R~H~C} 0 - -Rx9 10,0,0 -1 * {R~H~C} 0 - -Rx10 10,0,0 -1 * {R~H~C} 0 - -Rx11 10,0,0 -1 * {R~H~C} 0 - -Rx12 10,0,0 -1 * {R~H~C} 0 - -Rx13 10,0,0 -1 * {R~H~C} 0 - -Rx14 10,0,0 -1 * {R~H~C} 0 - -Rx15 10,0,0 -1 * {R~H~C} 0 - -Rx16 10,0,0 -1 * {R~H~C} 0 - -Rx17 10,0,0 -1 * {R~H~C} 0 - -Rx18 10,0,0 -1 * {R~H~C} 0 - -Rx19 10,0,0 -1 * {R~H~C} 0 diff --git a/output/RMG_database_sulfur/virtualAtoms/more/virtualAtoms.txt b/output/RMG_database_sulfur/virtualAtoms/more/virtualAtoms.txt deleted file mode 100644 index db5fcd6123..0000000000 --- a/output/RMG_database_sulfur/virtualAtoms/more/virtualAtoms.txt +++ /dev/null @@ -1,36 +0,0 @@ -Rx110 10,0,0 -1 * {R~H~C} 0 - -Rx111 10,0,0 -1 * {R~H~C} 0 - -Rx112 10,0,0 -1 * {R~H~C} 0 - -Rx113 10,0,0 -1 * {R~H~C} 0 - -Rx114 10,0,0 -1 * {R~H~C} 0 - -Rx115 10,0,0 -1 * {R~H~C} 0 - -Rx116 10,0,0 -1 * {R~H~C} 0 - -Rx117 10,0,0 -1 * {R~H~C} 0 - -Rx118 10,0,0 -1 * {R~H~C} 0 - -Rx119 10,0,0 -1 * {R~H~C} 0 - -Css!H2 4,4,4 -1 * C 0 {2,{S,R}} {3,{S,R}} {4,{S,R}} {5,S} -<2> {R~H} 0 {1,{S,R}} -<3> {R~H} 0 {1,{S,R}} -<4> {R~H} 0 {1,{S,R}} -<5> {R~H} 0 {1,S} \ No newline at end of file diff --git a/output/liquid_oxidation/kinetics_groups/H_Abstraction/dictionary.txt b/output/liquid_oxidation/kinetics_groups/H_Abstraction/dictionary.txt deleted file mode 100644 index 6d2786fbf2..0000000000 --- a/output/liquid_oxidation/kinetics_groups/H_Abstraction/dictionary.txt +++ /dev/null @@ -1,86 +0,0 @@ -// RWest. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 -// dictionary for f01: HAbstraction reaction -// original from dictionary.txt, CDW 10/20/2002 -// SR and JS correct errors and add more nodes, Nov., 20, 2002 -// get rid of dots following the ID, add index to the central nodes, JS, Jan., 03, 2003 -// S.R., C.D.W (1/21/03) add biradicals -// JS, remove CO_birad to form a new family later: CO + RH -> HCO + R. Aug, 26, 2003 - -X_H -1 *1 R 0 {2,S} -2 *2 H 0 {1,S} - - -Cs_H -1 *1 C 0 {2,S}, {3,S}, {4,S}, {5,S} -2 *2 H 0 {1,S} -3 R 0 {1,S} -4 R 0 {1,S} -5 R 0 {1,S} - -CO_H -1 *1 C 0 {2,D}, {3,S}, {4,S} -2 O 0 {1,D} -3 *2 H 0 {1,S} -4 R 0 {1,S} - -O_H -1 *1 O 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 R 0 {1,S} - -O_pri -1 *1 O 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 H 0 {1,S} - -O_sec -1 *1 O 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 {R!H} 0 {1,S} - -O/H/NonDeO -1 *1 O 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 O 0 {1,S} - -C/H/CO -1 *1 C 0 {2,S}, {3,S} -2 *2 H 0 {1,S} -3 CO 0 {1,S} - -Y_rad_birad -Union {Y_2centeradjbirad, Y_1centerbirad, Y_rad} - -Y_2centeradjbirad -1 *3 {Ct,Os} 1 {2,{S,T}} -2 {Ct,Os} 1 {1,{S,T}} - -Y_1centerbirad -1 *3 {Cs,Cd,O} 2T - -Y_rad -1 *3 R 1 - -O_rad -1 *3 O 1 {2,S} -2 R 0 {1,S} - -O_pri_rad -1 *3 O 1 {2,S} -2 H 0 {1,S} - -O_sec_rad -1 *3 O 1 {2,S} -2 {R!H} 0 {1,S} - -O_rad/NonDeC -1 *3 O 1 {2,S} -2 Cs 0 {1,S} - -O_rad/NonDeO -1 *3 O 1 {2,S} -2 O 0 {1,S} diff --git a/output/liquid_oxidation/kinetics_groups/H_Abstraction/rateLibrary.txt b/output/liquid_oxidation/kinetics_groups/H_Abstraction/rateLibrary.txt deleted file mode 100644 index 176e39af1c..0000000000 --- a/output/liquid_oxidation/kinetics_groups/H_Abstraction/rateLibrary.txt +++ /dev/null @@ -1,31 +0,0 @@ -// RWest. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 -// -// rate library for f01: HAbstraction reaction -// original from rate library.txt, CDW 03/08/01 -// SR and JS rename some nodes according to the tree and dictionary correction, Nov., 20, 2002 -// JS, comment out 10th, change XH in 23 from C/Cd/H3 to C/H3/Cd -// JS, remove CO_birad to form a new family later: CO + RH -> HCO + R. Aug, 26, 2003 - -// key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// I don't really know what N a E0 etc. mean so this may be wrong: - -//No. XH Y_rad Temp. A n a E0 DA Dn Da DE0 Rank -// "other hydrogen transfer reactions" -1 X_H Y_rad_birad 300-1500 1E+07 0 0.7 9.1 0 0 0 0 0 -// "alkanes + alkoxy radicals" -2 Cs_H O_rad/NonDeC 300-1500 1E+07 0 0.91 11.9 0 0 0 0 0 -// "alkanes + alkylperoxy radicals" -//3 Cs_H O_rad/NonDeO 300-1500 1E+07 0 1.1 3.05 0 0 0 0 0 -3 Cs_H O_rad/NonDeO 300-1500 2.33E+07 0 1.1 3.05 0 0 0 0 0 -// "aldehydes + alkylperoxy radicals" -4 CO_H O_rad/NonDeO 300-1500 1E+07 0 1.0 6.2 0 0 0 0 0 -// "alkylhydroperoxides + alkylperoxy radicals" -//5 O/H/NonDeO O_rad/NonDeO 300-1500 1E+07 0 1.5 3.3 0 0 0 0 0 -5 O/H/NonDeO O_rad/NonDeO 300-1500 4.21E+09 0 1.5 3.3 0 0 0 0 0 -// "hydrogen abstraction from ketones" -6 C/H/CO Y_rad_birad 300-1500 1E+07 0 0.7 21.0 0 0 0 0 0 diff --git a/output/liquid_oxidation/kinetics_groups/H_Abstraction/reactionAdjList.txt b/output/liquid_oxidation/kinetics_groups/H_Abstraction/reactionAdjList.txt deleted file mode 100644 index 6a2dd649a5..0000000000 --- a/output/liquid_oxidation/kinetics_groups/H_Abstraction/reactionAdjList.txt +++ /dev/null @@ -1,21 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Richard West 28 Oct 2008 // -// // -////////////////////////////////////////////////////// - - -// H Abstraction - -X_H + Y_rad_birad -> X_rad + Y_H - -thermo_consistence - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) FORM_BOND {*2,S,*3} -(3) GAIN_RADICAL {*1,1} -(4) LOSE_RADICAL {*3,1} - diff --git a/output/liquid_oxidation/kinetics_groups/H_Abstraction/tree.txt b/output/liquid_oxidation/kinetics_groups/H_Abstraction/tree.txt deleted file mode 100644 index f6458335bd..0000000000 --- a/output/liquid_oxidation/kinetics_groups/H_Abstraction/tree.txt +++ /dev/null @@ -1,26 +0,0 @@ -// tree for f01: HAbstraction reaction -// original from tree.txt, CDW 10/20/2002 -// SR and JS correct errors and add more nodes, Nov., 20, 2002 -// S.R., C.D.W (1/21/03) add biradicals -// C.D.W. (6/4/03) added Y_2centeradjbirad (O2b and C2b). -// JS, remove CO_birad to form a new family later: CO + RH -> HCO + R. Aug, 26, 2003 -// f01_intermolecular_HA - -L1: X_H - L2: Cs_H - L3: C/H/CO - L2: CO_H - L2: O_H - L3: O_sec - L4: O/H/NonDeO - -L1: Y_rad_birad - L2: Y_2centeradjbirad - L2: Y_1centerbirad - L2: Y_rad - L3: O_rad - L4: O_pri_rad - L4: O_sec_rad - L5: O_rad/NonDeC - L5: O_rad/NonDeO - \ No newline at end of file diff --git a/output/liquid_oxidation/kinetics_groups/alkoxy_beta-scission/dictionary.txt b/output/liquid_oxidation/kinetics_groups/alkoxy_beta-scission/dictionary.txt deleted file mode 100644 index 90f7754331..0000000000 --- a/output/liquid_oxidation/kinetics_groups/alkoxy_beta-scission/dictionary.txt +++ /dev/null @@ -1,10 +0,0 @@ -// RWest. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - - -XO_rad -1 *1 C 0 {2,S} {3,S} -2 *2 {R!H} 0 {1,S} -3 *3 O 1 {1,S} diff --git a/output/liquid_oxidation/kinetics_groups/alkoxy_beta-scission/rateLibrary.txt b/output/liquid_oxidation/kinetics_groups/alkoxy_beta-scission/rateLibrary.txt deleted file mode 100644 index 36ff997869..0000000000 --- a/output/liquid_oxidation/kinetics_groups/alkoxy_beta-scission/rateLibrary.txt +++ /dev/null @@ -1,12 +0,0 @@ -// RWest. primary_initiation. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - -// key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// I don't really know what N a E0 etc. mean so this may be wrong: - -//No. XO_rad Temp. A N a E0 DA Dn Da DE0 Rank -1 XO_rad 393-403 1E+14 0 0.85 9.5 0 0 0 0 0 \ No newline at end of file diff --git a/output/liquid_oxidation/kinetics_groups/alkoxy_beta-scission/reactionAdjList.txt b/output/liquid_oxidation/kinetics_groups/alkoxy_beta-scission/reactionAdjList.txt deleted file mode 100644 index 0ad4052b64..0000000000 --- a/output/liquid_oxidation/kinetics_groups/alkoxy_beta-scission/reactionAdjList.txt +++ /dev/null @@ -1,20 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Richard West 28 Oct 2008 // -// // -////////////////////////////////////////////////////// - - -// alkoxy beta-scission - -XO_rad -> YO + Z_rad - -thermo_consistence - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) GAIN_RADICAL {*2,1} -(3) LOSE_RADICAL {*3,1} -(4) CHANGE_BOND {*1,1,*3} \ No newline at end of file diff --git a/output/liquid_oxidation/kinetics_groups/alkoxy_beta-scission/tree.txt b/output/liquid_oxidation/kinetics_groups/alkoxy_beta-scission/tree.txt deleted file mode 100644 index 90a41a41e0..0000000000 --- a/output/liquid_oxidation/kinetics_groups/alkoxy_beta-scission/tree.txt +++ /dev/null @@ -1,8 +0,0 @@ -// RWest. primary_initiation. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - - - -L1 : XO_rad diff --git a/output/liquid_oxidation/kinetics_groups/beta-scission_C_radical/dictionary.txt b/output/liquid_oxidation/kinetics_groups/beta-scission_C_radical/dictionary.txt deleted file mode 100644 index 0df79027a8..0000000000 --- a/output/liquid_oxidation/kinetics_groups/beta-scission_C_radical/dictionary.txt +++ /dev/null @@ -1,10 +0,0 @@ -// RWest. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - -HOOX_rad -1 *1 O 0 {2,S} {3,S} -2 *2 O 0 {1,S} {4,S} -3 *3 C 1 {1,S} -4 H 0 {2,S} diff --git a/output/liquid_oxidation/kinetics_groups/beta-scission_C_radical/rateLibrary.txt b/output/liquid_oxidation/kinetics_groups/beta-scission_C_radical/rateLibrary.txt deleted file mode 100644 index 76ed2ec30e..0000000000 --- a/output/liquid_oxidation/kinetics_groups/beta-scission_C_radical/rateLibrary.txt +++ /dev/null @@ -1,12 +0,0 @@ -// RWest. primary_initiation. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - -// key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// I don't really know what N a E0 etc. mean so this may be wrong: - -//No. XO_rad Temp. A N a E0 DA Dn Da DE0 Rank -1 HOOX_rad 393-403 1E+14 0 0.76 14.24 0 0 0 0 0 \ No newline at end of file diff --git a/output/liquid_oxidation/kinetics_groups/beta-scission_C_radical/reactionAdjList.txt b/output/liquid_oxidation/kinetics_groups/beta-scission_C_radical/reactionAdjList.txt deleted file mode 100644 index 4efa9664af..0000000000 --- a/output/liquid_oxidation/kinetics_groups/beta-scission_C_radical/reactionAdjList.txt +++ /dev/null @@ -1,20 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Richard West 28 Oct 2008 // -// // -////////////////////////////////////////////////////// - - -// beta-scission of a Carbon-centered radical *C-O-O-H - -HOOX_rad -> XO + HO_rad - -thermo_consistence - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) GAIN_RADICAL {*2,1} -(3) LOSE_RADICAL {*3,1} -(4) CHANGE_BOND {*1,1,*3} \ No newline at end of file diff --git a/output/liquid_oxidation/kinetics_groups/beta-scission_C_radical/tree.txt b/output/liquid_oxidation/kinetics_groups/beta-scission_C_radical/tree.txt deleted file mode 100644 index 5463dbdfab..0000000000 --- a/output/liquid_oxidation/kinetics_groups/beta-scission_C_radical/tree.txt +++ /dev/null @@ -1,8 +0,0 @@ -// RWest. primary_initiation. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - - - -L1 : HOOX_rad diff --git a/output/liquid_oxidation/kinetics_groups/disproportionation_A/dictionary.txt b/output/liquid_oxidation/kinetics_groups/disproportionation_A/dictionary.txt deleted file mode 100644 index 6f847fabb6..0000000000 --- a/output/liquid_oxidation/kinetics_groups/disproportionation_A/dictionary.txt +++ /dev/null @@ -1,16 +0,0 @@ -// RWest. 20 Nov 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - -XOO_rad -1 *2 C 0 {2,S} {4,S} -2 *3 O 0 {1,S} {3,S} -3 *1 O 1 {2,S} -4 *4 H 0 {1,S} - -YOO_rad -1 *7 C 0 {2,S} {4,S} -2 *6 O 0 {1,S} {3,S} -3 *5 O 1 {2,S} -4 H 0 {1,S} diff --git a/output/liquid_oxidation/kinetics_groups/disproportionation_A/rateLibrary.txt b/output/liquid_oxidation/kinetics_groups/disproportionation_A/rateLibrary.txt deleted file mode 100644 index bf5d3a3ea1..0000000000 --- a/output/liquid_oxidation/kinetics_groups/disproportionation_A/rateLibrary.txt +++ /dev/null @@ -1,15 +0,0 @@ -// RWest. 20 Nov 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 -// - - -// key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// I don't really know what N a E0 etc. mean so this may be wrong: - -//No. XOO_rad YOO_rad Temp. A n a E0 DA Dn Da DE0 Rank -1 XOO_rad YOO_rad 300-600 2E+06 0 0 0.0 0 0 0 0 0 -// http://dx.doi.org/10.1021/ie0714807 IS UNCLEAR ABOUT THIS RATE (Contradictory statements about A/B channels) diff --git a/output/liquid_oxidation/kinetics_groups/disproportionation_A/reactionAdjList.txt b/output/liquid_oxidation/kinetics_groups/disproportionation_A/reactionAdjList.txt deleted file mode 100644 index c90b5d3ce5..0000000000 --- a/output/liquid_oxidation/kinetics_groups/disproportionation_A/reactionAdjList.txt +++ /dev/null @@ -1,24 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Richard West 20 Nov 2008 // -// // -////////////////////////////////////////////////////// - - -// disproportionation path A - -XOO_rad + YOO_rad -> X=O + YOH + O2 - -thermo_consistence - -Actions 1 -(1) FORM_BOND {*1,D,*5} -(2) LOSE_RADICAL {*1,1} -(3) LOSE_RADICAL {*5,1} -(4) CHANGE_BOND {*2,1,*3} -(5) BREAK_BOND {*2,S,*4} -(6) FORM_BOND {*4,S,*6} -(7) BREAK_BOND {*1,S,*3} -(8) BREAK_BOND {*5,S,*6} diff --git a/output/liquid_oxidation/kinetics_groups/disproportionation_A/tree.txt b/output/liquid_oxidation/kinetics_groups/disproportionation_A/tree.txt deleted file mode 100644 index fae07ab956..0000000000 --- a/output/liquid_oxidation/kinetics_groups/disproportionation_A/tree.txt +++ /dev/null @@ -1,10 +0,0 @@ -// RWest. primary_initiation. 20 Nov 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - -L1: XOO_rad - - -L1: YOO_rad - diff --git a/output/liquid_oxidation/kinetics_groups/disproportionation_B/dictionary.txt b/output/liquid_oxidation/kinetics_groups/disproportionation_B/dictionary.txt deleted file mode 100644 index 57fc2feb77..0000000000 --- a/output/liquid_oxidation/kinetics_groups/disproportionation_B/dictionary.txt +++ /dev/null @@ -1,14 +0,0 @@ -// RWest. 20 Nov 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - -XOO_rad -1 *2 O 0 {2,S} {3,S} -2 *1 O 1 {1,S} -3 R!H 0 {1,S} - -YOO_rad -1 *4 O 0 {2,S} {3,S} -2 *3 O 1 {1,S} -3 R!H 0 {1,S} diff --git a/output/liquid_oxidation/kinetics_groups/disproportionation_B/rateLibrary.txt b/output/liquid_oxidation/kinetics_groups/disproportionation_B/rateLibrary.txt deleted file mode 100644 index 95b5f27a3e..0000000000 --- a/output/liquid_oxidation/kinetics_groups/disproportionation_B/rateLibrary.txt +++ /dev/null @@ -1,15 +0,0 @@ -// RWest. 20 Nov 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 -// - - -// key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// I don't really know what N a E0 etc. mean so this may be wrong: - -//No. XOO_rad YOO_rad Temp. A n a E0 DA Dn Da DE0 Rank -1 XOO_rad YOO_rad 300-600 1E+06 0 0 0.0 0 0 0 0 0 -// http://dx.doi.org/10.1021/ie0714807 IS UNCLEAR ABOUT THIS RATE (Contradictory statements about A/B channels) \ No newline at end of file diff --git a/output/liquid_oxidation/kinetics_groups/disproportionation_B/reactionAdjList.txt b/output/liquid_oxidation/kinetics_groups/disproportionation_B/reactionAdjList.txt deleted file mode 100644 index fe8ef60c6f..0000000000 --- a/output/liquid_oxidation/kinetics_groups/disproportionation_B/reactionAdjList.txt +++ /dev/null @@ -1,23 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Richard West 20 Nov 2008 // -// // -////////////////////////////////////////////////////// - - -// disproportionation path B - -XOO_rad + YOO_rad -> XO_rad + YO_rad + O2 - -thermo_consistence - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) BREAK_BOND {*3,S,*4} -(3) LOSE_RADICAL {*1,1} -(4) LOSE_RADICAL {*3,1} -(5) GAIN_RADICAL {*2,1} -(6) GAIN_RADICAL {*4,1} -(7) FORM_BOND {*1,D,*3} diff --git a/output/liquid_oxidation/kinetics_groups/disproportionation_B/tree.txt b/output/liquid_oxidation/kinetics_groups/disproportionation_B/tree.txt deleted file mode 100644 index fae07ab956..0000000000 --- a/output/liquid_oxidation/kinetics_groups/disproportionation_B/tree.txt +++ /dev/null @@ -1,10 +0,0 @@ -// RWest. primary_initiation. 20 Nov 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - -L1: XOO_rad - - -L1: YOO_rad - diff --git a/output/liquid_oxidation/kinetics_groups/families.txt b/output/liquid_oxidation/kinetics_groups/families.txt deleted file mode 100755 index a92a435d12..0000000000 --- a/output/liquid_oxidation/kinetics_groups/families.txt +++ /dev/null @@ -1,27 +0,0 @@ -//////////////////////////////////////////////////////////////////////////////// -// -// REACTION FAMILIES USED BY RMG -// -// Created 1 Jun 2009 by Richard West rwest@mit.edu -// -// Notes: -// -// The name of each forward reaction should match up with a folder -// in this directory containing the dictionary, tree, library, and adjusts -// for that family. -// -// Families can be deactivated by simply changing the "on/off" column to off. -// -//////////////////////////////////////////////////////////////////////////////// - -// No. on/off Forward reaction -1 on H_Abstraction -2 on alkoxy_beta-scission -3 on beta-scission_C_radical -4 on disproportionation_A -5 on disproportionation_B -6 on hydroperoxide_bond_fission -7 on hydroperoxide_decomposition -8 on oxygen_addition -9 on primary_initiation -10 on recombination diff --git a/output/liquid_oxidation/kinetics_groups/hydroperoxide_bond_fission/dictionary.txt b/output/liquid_oxidation/kinetics_groups/hydroperoxide_bond_fission/dictionary.txt deleted file mode 100644 index 95fb84d95c..0000000000 --- a/output/liquid_oxidation/kinetics_groups/hydroperoxide_bond_fission/dictionary.txt +++ /dev/null @@ -1,12 +0,0 @@ -// RWest. primary_initiation. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - - - -XOOH -1 C 0 {2,S} -2 *1 O 0 {1,S} {3,S} -3 *2 O 0 {2,S} {4,S} -4 H 0 {3,S} \ No newline at end of file diff --git a/output/liquid_oxidation/kinetics_groups/hydroperoxide_bond_fission/rateLibrary.txt b/output/liquid_oxidation/kinetics_groups/hydroperoxide_bond_fission/rateLibrary.txt deleted file mode 100644 index 948dd64c44..0000000000 --- a/output/liquid_oxidation/kinetics_groups/hydroperoxide_bond_fission/rateLibrary.txt +++ /dev/null @@ -1,12 +0,0 @@ -// RWest. primary_initiation. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - -// key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// I don't really know what N a E0 etc. mean so this may be wrong: - -//No. XOOH Temp. A N a E0 DA Dn Da DE0 Rank -1 XOOH 393-403 1E+15 0 1 0 0 0 0 0 0 \ No newline at end of file diff --git a/output/liquid_oxidation/kinetics_groups/hydroperoxide_bond_fission/reactionAdjList.txt b/output/liquid_oxidation/kinetics_groups/hydroperoxide_bond_fission/reactionAdjList.txt deleted file mode 100644 index e41ca51c79..0000000000 --- a/output/liquid_oxidation/kinetics_groups/hydroperoxide_bond_fission/reactionAdjList.txt +++ /dev/null @@ -1,20 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Richard West 28 Oct 2008 // -// // -////////////////////////////////////////////////////// - - -// hydroperoxide bond fission - -XOOH -> XO* + HO* - -forward -reverse: none - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) GAIN_RADICAL {*1,1} -(4) GAIN_RADICAL {*2,1} \ No newline at end of file diff --git a/output/liquid_oxidation/kinetics_groups/hydroperoxide_bond_fission/tree.txt b/output/liquid_oxidation/kinetics_groups/hydroperoxide_bond_fission/tree.txt deleted file mode 100644 index 2d5d1b8b4c..0000000000 --- a/output/liquid_oxidation/kinetics_groups/hydroperoxide_bond_fission/tree.txt +++ /dev/null @@ -1,7 +0,0 @@ -// RWest. primary_initiation. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - - -L1 : XOOH diff --git a/output/liquid_oxidation/kinetics_groups/hydroperoxide_decomposition/dictionary.txt b/output/liquid_oxidation/kinetics_groups/hydroperoxide_decomposition/dictionary.txt deleted file mode 100644 index d2d6e221cc..0000000000 --- a/output/liquid_oxidation/kinetics_groups/hydroperoxide_decomposition/dictionary.txt +++ /dev/null @@ -1,16 +0,0 @@ -// RWest. primary_initiation. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - - - -XH -1. *1 {R!H} 0 {2,S} -2. *2 H 0 {1,S} - -YOOH -1 C 0 {2,S} -2 *3 O 0 {1,S} {3,S} -3 *4 O 0 {2,S} {4,S} -4 H 0 {3,S} \ No newline at end of file diff --git a/output/liquid_oxidation/kinetics_groups/hydroperoxide_decomposition/rateLibrary.txt b/output/liquid_oxidation/kinetics_groups/hydroperoxide_decomposition/rateLibrary.txt deleted file mode 100644 index 160c80435a..0000000000 --- a/output/liquid_oxidation/kinetics_groups/hydroperoxide_decomposition/rateLibrary.txt +++ /dev/null @@ -1,13 +0,0 @@ -// RWest. primary_initiation. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - -// key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// I don't really know what N a E0 etc. mean so this may be wrong: - -//No. XH YOOH Temp. A N a E0 DA Dn Da DE0 Rank -//1 XH YOOH 393-403 1E+6 0 -0.09 24.6 0 0 0 0 0 -1 XH YOOH 393-403 3.44E+6 0 -0.09 24.6 0 0 0 0 0 \ No newline at end of file diff --git a/output/liquid_oxidation/kinetics_groups/hydroperoxide_decomposition/reactionAdjList.txt b/output/liquid_oxidation/kinetics_groups/hydroperoxide_decomposition/reactionAdjList.txt deleted file mode 100644 index 7344062651..0000000000 --- a/output/liquid_oxidation/kinetics_groups/hydroperoxide_decomposition/reactionAdjList.txt +++ /dev/null @@ -1,22 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Richard West 28 Oct 2008 // -// // -////////////////////////////////////////////////////// - - -// Hydroperoxide decomposition - -XH + YOOH -> X* + YO* + H2O - -forward -reverse: none - -Actions 1 -(1) BREAK_BOND {*1,S,*2} -(2) GAIN_RADICAL {*1,1} -(3) BREAK_BOND {*3,S,*4} -(4) GAIN_RADICAL {*3,1} -(5) FORM_BOND {*2,S,*4} \ No newline at end of file diff --git a/output/liquid_oxidation/kinetics_groups/hydroperoxide_decomposition/tree.txt b/output/liquid_oxidation/kinetics_groups/hydroperoxide_decomposition/tree.txt deleted file mode 100644 index e73d394c40..0000000000 --- a/output/liquid_oxidation/kinetics_groups/hydroperoxide_decomposition/tree.txt +++ /dev/null @@ -1,9 +0,0 @@ -// RWest. primary_initiation. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - - -L1 : XH - -L1 : YOOH diff --git a/output/liquid_oxidation/kinetics_groups/oxygen_addition/dictionary.txt b/output/liquid_oxidation/kinetics_groups/oxygen_addition/dictionary.txt deleted file mode 100644 index dc2eb51ab8..0000000000 --- a/output/liquid_oxidation/kinetics_groups/oxygen_addition/dictionary.txt +++ /dev/null @@ -1,18 +0,0 @@ -// RWest. primary_initiation. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - -O2d -1 *1 Od 0 {2,D} -2 *2 Od 0 {1,D} - -Y_rad_birad -Union {Y_rad, Y_birad} - -Y_rad -1 *3 R 1 - -Y_birad -1 *3 R 2 - diff --git a/output/liquid_oxidation/kinetics_groups/oxygen_addition/rateLibrary.txt b/output/liquid_oxidation/kinetics_groups/oxygen_addition/rateLibrary.txt deleted file mode 100644 index 55b5a698aa..0000000000 --- a/output/liquid_oxidation/kinetics_groups/oxygen_addition/rateLibrary.txt +++ /dev/null @@ -1,13 +0,0 @@ -// RWest. oxygen_addition. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - -// key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - - -// I don't really know what N a E0 etc. mean so this may be wrong: - -//No. O2 Y_rad Temp. A N a E0 DA Dn Da DE0 Rank -1 O2d Y_rad_birad 300-1500 1E+8 0 0 0 0 0 0 0 0 \ No newline at end of file diff --git a/output/liquid_oxidation/kinetics_groups/oxygen_addition/reactionAdjList.txt b/output/liquid_oxidation/kinetics_groups/oxygen_addition/reactionAdjList.txt deleted file mode 100644 index 0ab2ed8de0..0000000000 --- a/output/liquid_oxidation/kinetics_groups/oxygen_addition/reactionAdjList.txt +++ /dev/null @@ -1,21 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Richard West 28 Oct 2008 // -// // -////////////////////////////////////////////////////// - - -// radical addition to the double bond of O2 - -O2d + Y_rad_birad -> YO2. - -forward -reverse(f03): Beta_Scission - -Actions 1 -(1) CHANGE_BOND {*1,-1,*2} -(2) FORM_BOND {*1,S,*3} -(2) GAIN_RADICAL {*2,1} -(3) LOSE_RADICAL {*3,1} diff --git a/output/liquid_oxidation/kinetics_groups/oxygen_addition/tree.txt b/output/liquid_oxidation/kinetics_groups/oxygen_addition/tree.txt deleted file mode 100644 index bfa67d659e..0000000000 --- a/output/liquid_oxidation/kinetics_groups/oxygen_addition/tree.txt +++ /dev/null @@ -1,8 +0,0 @@ -// RWest. primary_initiation. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - -L1 : O2d - -L1 : Y_rad_birad diff --git a/output/liquid_oxidation/kinetics_groups/primary_initiation/dictionary.txt b/output/liquid_oxidation/kinetics_groups/primary_initiation/dictionary.txt deleted file mode 100644 index fc5ed1fd41..0000000000 --- a/output/liquid_oxidation/kinetics_groups/primary_initiation/dictionary.txt +++ /dev/null @@ -1,14 +0,0 @@ -// RWest. primary_initiation. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - -O2d -1 *1 O 0 {2,D} -2 *4 O 0 {1,D} - -XH -1. *2 {R!H} 0 {2,S} -2. *3 H 0 {1,S} - - diff --git a/output/liquid_oxidation/kinetics_groups/primary_initiation/rateLibrary.txt b/output/liquid_oxidation/kinetics_groups/primary_initiation/rateLibrary.txt deleted file mode 100644 index 3600ab3498..0000000000 --- a/output/liquid_oxidation/kinetics_groups/primary_initiation/rateLibrary.txt +++ /dev/null @@ -1,13 +0,0 @@ -// RWest. primary_initiation. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - -// key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - - -// I don't really know what N a E0 etc. mean so this may be wrong: - -//No. O2d XH Temp. A N a E0 DA Dn Da DE0 Rank -1 O2d XH 300-1500 1E+13 0 1 0 0 0 0 0 0 \ No newline at end of file diff --git a/output/liquid_oxidation/kinetics_groups/primary_initiation/reactionAdjList.txt b/output/liquid_oxidation/kinetics_groups/primary_initiation/reactionAdjList.txt deleted file mode 100644 index a129131f0b..0000000000 --- a/output/liquid_oxidation/kinetics_groups/primary_initiation/reactionAdjList.txt +++ /dev/null @@ -1,22 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Richard West 28 Oct 2008 // -// // -////////////////////////////////////////////////////// - - -// f09b Disproportionation - -O2d + XH -> HO2 + X_rad - -forward -reverse(f10b): HO2_Addition - -Actions 1 -(1) CHANGE_BOND {*1,-1,*4} -(2) GAIN_RADICAL {*4,1} -(3) FORM_BOND {*1,S,*3} -(4) BREAK_BOND {*2,S,*3} -(6) GAIN_RADICAL {*2,1} \ No newline at end of file diff --git a/output/liquid_oxidation/kinetics_groups/primary_initiation/tree.txt b/output/liquid_oxidation/kinetics_groups/primary_initiation/tree.txt deleted file mode 100644 index 7fbc9ca418..0000000000 --- a/output/liquid_oxidation/kinetics_groups/primary_initiation/tree.txt +++ /dev/null @@ -1,8 +0,0 @@ -// RWest. primary_initiation. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - -L1 : O2d - -L1 : XH diff --git a/output/liquid_oxidation/kinetics_groups/recombination/dictionary.txt b/output/liquid_oxidation/kinetics_groups/recombination/dictionary.txt deleted file mode 100644 index 0a9611dadc..0000000000 --- a/output/liquid_oxidation/kinetics_groups/recombination/dictionary.txt +++ /dev/null @@ -1,30 +0,0 @@ -// RWest. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - -X_rad_birad -Union {X_2centeradjbirad, X_1centerbirad, X_rad} - -X_2centeradjbirad -1 *1 {Ct,Os} 1 {2,{S,T}} -2 {Ct,Os} 1 {1,{S,T}} - -X_1centerbirad -1 *1 {Cs,Cd,O} 2T - -X_rad -1 *1 R 1 - -Y_rad_birad -Union {Y_2centeradjbirad, Y_1centerbirad, Y_rad} - -Y_2centeradjbirad -1 *2 {Ct,Os} 1 {2,{S,T}} -2 {Ct,Os} 1 {1,{S,T}} - -Y_1centerbirad -1 *2 {Cs,Cd,O} 2T - -Y_rad -1 *2 R 1 diff --git a/output/liquid_oxidation/kinetics_groups/recombination/rateLibrary.txt b/output/liquid_oxidation/kinetics_groups/recombination/rateLibrary.txt deleted file mode 100644 index b55f29a824..0000000000 --- a/output/liquid_oxidation/kinetics_groups/recombination/rateLibrary.txt +++ /dev/null @@ -1,16 +0,0 @@ -// RWest. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 -// - - -// key word for format of the rate: either Arrhenius or Arrhenius_EP -Arrhenius_EP - -// I don't really know what N a E0 etc. mean so this may be wrong: - -//No. XH Y_rad Temp. A n a E0 DA Dn Da DE0 Rank -// E0 = RT = 0.8207 kcal/mol @ 413K -1 X_rad_birad Y_rad_birad 413-414 1E+08 0 0 0.8207 0 0 0 0 0 - diff --git a/output/liquid_oxidation/kinetics_groups/recombination/reactionAdjList.txt b/output/liquid_oxidation/kinetics_groups/recombination/reactionAdjList.txt deleted file mode 100644 index f853ce3f4f..0000000000 --- a/output/liquid_oxidation/kinetics_groups/recombination/reactionAdjList.txt +++ /dev/null @@ -1,20 +0,0 @@ -////////////////////////////////////////////////////// -// // -// the reaction adjList defining the reaction type // -// // -// Richard West 28 Oct 2008 // -// // -////////////////////////////////////////////////////// - - -// (radical) recombination - -X_rad_birad + Y_rad_birad -> XY - -thermo_consistence - -Actions 1 -(1) FORM_BOND {*1,S,*2} -(3) LOSE_RADICAL {*1,1} -(4) LOSE_RADICAL {*2,1} - diff --git a/output/liquid_oxidation/kinetics_groups/recombination/tree.txt b/output/liquid_oxidation/kinetics_groups/recombination/tree.txt deleted file mode 100644 index 629824bd3b..0000000000 --- a/output/liquid_oxidation/kinetics_groups/recombination/tree.txt +++ /dev/null @@ -1,14 +0,0 @@ -// RWest. primary_initiation. 28 Oct 2008 -// for autoxidation of liquid alkanes -// based on Pfaendtner & Broadbelt 2008 -// http://dx.doi.org/10.1021/ie0714807 - -L1: X_rad_birad - L2: X_2centeradjbirad - L2: X_1centerbirad - L2: X_rad - -L1: Y_rad_birad - L2: Y_2centeradjbirad - L2: Y_1centerbirad - L2: Y_rad From 97ab553cece54987e0801c9dbac661637ce71155 Mon Sep 17 00:00:00 2001 From: Connie Gao Date: Thu, 16 Jul 2015 16:29:45 -0400 Subject: [PATCH 20/20] Change RMG-database version to 1.0.0 --- meta.yaml | 2 +- setup.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/meta.yaml b/meta.yaml index 0e12acd191..57406b96ab 100644 --- a/meta.yaml +++ b/meta.yaml @@ -1,7 +1,7 @@ # For conda build package: name: rmgdatabase - version: "0.1.0" + version: "1.0.0" source: path: . diff --git a/setup.py b/setup.py index 56d4087ee0..eed081aa19 100644 --- a/setup.py +++ b/setup.py @@ -44,7 +44,7 @@ # Initiate the build and/or installation setup(name='RMG-database', - version='0.1.0', + version='1.0.0', description='Reaction Mechanism Generator Database', author='William H. Green and the RMG Team', author_email='rmg_dev@mit.edu',