<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Tue Jan 23 13:38:03 2007" release="1.1.a2" 
 packageName="ccp.molecule.ChemComp" root="project" originator="CCPN Python XmlIO">
 
<parent>
  <key1 tag="molType">other</key1>
  <key2 tag="ccpCode">MIB</key2>
</parent>

<NonStdChemComp _ID="_1" molType="other" ccpCode="MIB" cifCode="MIB">
  <name>(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE</name>
  <ChemAtomSet _ID="_2" subType="1" isEquivalent="true" isProchiral="false" distCorr="0.0" name="HM*">
    <chemAtoms _IDREF="_3"/>
    <chemAtoms _IDREF="_4"/>
    <chemAtoms _IDREF="_5"/>
  </ChemAtomSet>
  <ChemAtomSet _ID="_6" subType="1" isEquivalent="true" isProchiral="false" distCorr="0.0" name="HN*">
    <chemAtoms _IDREF="_7"/>
    <chemAtoms _IDREF="_8"/>
    <chemAtoms _IDREF="_9"/>
  </ChemAtomSet>
  <ChemAtomSysName _ID="_10" atomSubType="1" namingSystem="PDB" atomName="CA">
    <sysName>CA</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_11" atomSubType="1" namingSystem="MSD" atomName="CA">
    <sysName>CA</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_12" atomSubType="1" namingSystem="PDB" atomName="CB">
    <sysName>CB</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_13" atomSubType="1" namingSystem="MSD" atomName="CB">
    <sysName>CB</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_14" atomSubType="1" namingSystem="PDB" atomName="CD1">
    <sysName>CD1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_15" atomSubType="1" namingSystem="MSD" atomName="CD1">
    <sysName>CD1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_16" atomSubType="1" namingSystem="PDB" atomName="CD2">
    <sysName>CD2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_17" atomSubType="1" namingSystem="MSD" atomName="CD2">
    <sysName>CD2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_18" atomSubType="1" namingSystem="PDB" atomName="CE2">
    <sysName>CE2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_19" atomSubType="1" namingSystem="MSD" atomName="CE2">
    <sysName>CE2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_20" atomSubType="1" namingSystem="PDB" atomName="CE3">
    <sysName>CE3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_21" atomSubType="1" namingSystem="MSD" atomName="CE3">
    <sysName>CE3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_22" atomSubType="1" namingSystem="PDB" atomName="CG">
    <sysName>CG</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_23" atomSubType="1" namingSystem="MSD" atomName="CG">
    <sysName>CG</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_24" atomSubType="1" namingSystem="PDB" atomName="CH2">
    <sysName>CH2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_25" atomSubType="1" namingSystem="MSD" atomName="CH2">
    <sysName>CH2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_26" atomSubType="1" namingSystem="PDB" atomName="CM">
    <sysName>CM</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_27" atomSubType="1" namingSystem="MSD" atomName="CM">
    <sysName>CM</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_28" atomSubType="1" namingSystem="PDB" atomName="CN1">
    <sysName>CN1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_29" atomSubType="1" namingSystem="MSD" atomName="CN1">
    <sysName>CN1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_30" atomSubType="1" namingSystem="PDB" atomName="CO">
    <sysName>CO</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_31" atomSubType="1" namingSystem="MSD" atomName="CO">
    <sysName>CO</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_32" atomSubType="1" namingSystem="PDB" atomName="CZ2">
    <sysName>CZ2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_33" atomSubType="1" namingSystem="MSD" atomName="CZ2">
    <sysName>CZ2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_34" atomSubType="1" namingSystem="PDB" atomName="CZ3">
    <sysName>CZ3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_35" atomSubType="1" namingSystem="MSD" atomName="CZ3">
    <sysName>CZ3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_36" atomSubType="1" namingSystem="PDB" atomName="HA">
    <sysName>HA</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_37" atomSubType="1" namingSystem="MSD" atomName="HA">
    <sysName>HA</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_38" atomSubType="1" namingSystem="PDB" atomName="HB">
    <sysName>HB</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_39" atomSubType="1" namingSystem="MSD" atomName="HB">
    <sysName>HB</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_40" atomSubType="1" namingSystem="PDB" atomName="HD1">
    <sysName>HD1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_41" atomSubType="1" namingSystem="MSD" atomName="HD1">
    <sysName>HD1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_42" atomSubType="1" namingSystem="PDB" atomName="HE3">
    <sysName>HE3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_43" atomSubType="1" namingSystem="MSD" atomName="HE3">
    <sysName>HE3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_44" atomSubType="1" namingSystem="PDB" atomName="HH2">
    <sysName>HH2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_45" atomSubType="1" namingSystem="MSD" atomName="HH2">
    <sysName>HH2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_46" atomSubType="1" namingSystem="PDB" atomName="HM1">
    <sysName>HM1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_47" atomSubType="1" namingSystem="MSD" atomName="HM1">
    <sysName>HM1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_48" atomSubType="1" namingSystem="PDB" atomName="HM2">
    <sysName>HM2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_49" atomSubType="1" namingSystem="MSD" atomName="HM2">
    <sysName>HM2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_50" atomSubType="1" namingSystem="PDB" atomName="HM3">
    <sysName>HM3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_51" atomSubType="1" namingSystem="MSD" atomName="HM3">
    <sysName>HM3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_52" atomSubType="1" namingSystem="PDB" atomName="HN1">
    <sysName>HN1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_53" atomSubType="1" namingSystem="MSD" atomName="HN1">
    <sysName>HN1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_54" atomSubType="1" namingSystem="PDB" atomName="HN2">
    <sysName>HN2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_55" atomSubType="1" namingSystem="MSD" atomName="HN2">
    <sysName>HN2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_56" atomSubType="1" namingSystem="PDB" atomName="HN3">
    <sysName>HN3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_57" atomSubType="1" namingSystem="MSD" atomName="HN3">
    <sysName>HN3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_58" atomSubType="1" namingSystem="PDB" atomName="HZ2">
    <sysName>HZ2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_59" atomSubType="1" namingSystem="MSD" atomName="HZ2">
    <sysName>HZ2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_60" atomSubType="1" namingSystem="PDB" atomName="HZ3">
    <sysName>HZ3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_61" atomSubType="1" namingSystem="MSD" atomName="HZ3">
    <sysName>HZ3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_62" atomSubType="1" namingSystem="PDB" atomName="NE1">
    <sysName>NE1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_63" atomSubType="1" namingSystem="MSD" atomName="NE1">
    <sysName>NE1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_64" atomSubType="1" namingSystem="PDB" atomName="O1">
    <sysName>O1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_65" atomSubType="1" namingSystem="MSD" atomName="O1">
    <sysName>O1</sysName>
  </ChemAtomSysName>
  <ChemAtomSetSysName _ID="_66" atomSubType="1" namingSystem="MSD" atomName="HM*">
    <sysName>HM*</sysName>
  </ChemAtomSetSysName>
  <ChemAtomSetSysName _ID="_67" atomSubType="1" namingSystem="MSD" atomName="HN*">
    <sysName>HN*</sysName>
  </ChemAtomSetSysName>
  <ChemAtom _ID="_68" waterExchangeable="false" subType="1" elementSymbol="C" name="CA">
    <chemBonds _IDREF="_69"/>
    <chemBonds _IDREF="_70"/>
    <chemBonds _IDREF="_71"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_73" waterExchangeable="false" subType="1" elementSymbol="C" name="CB">
    <chemBonds _IDREF="_69"/>
    <chemBonds _IDREF="_74"/>
    <chemBonds _IDREF="_75"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_76" waterExchangeable="false" subType="1" elementSymbol="C" name="CD1">
    <chemBonds _IDREF="_77"/>
    <chemBonds _IDREF="_78"/>
    <chemBonds _IDREF="_79"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_80" waterExchangeable="false" subType="1" elementSymbol="C" name="CD2">
    <chemBonds _IDREF="_81"/>
    <chemBonds _IDREF="_82"/>
    <chemBonds _IDREF="_83"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_84" waterExchangeable="false" subType="1" elementSymbol="C" name="CE2">
    <chemBonds _IDREF="_81"/>
    <chemBonds _IDREF="_85"/>
    <chemBonds _IDREF="_86"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_87" waterExchangeable="false" subType="1" elementSymbol="C" name="CE3">
    <chemBonds _IDREF="_82"/>
    <chemBonds _IDREF="_88"/>
    <chemBonds _IDREF="_89"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_90" waterExchangeable="false" subType="1" elementSymbol="C" name="CG">
    <chemBonds _IDREF="_74"/>
    <chemBonds _IDREF="_79"/>
    <chemBonds _IDREF="_83"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_91" waterExchangeable="false" subType="1" elementSymbol="C" name="CH2">
    <chemBonds _IDREF="_92"/>
    <chemBonds _IDREF="_93"/>
    <chemBonds _IDREF="_94"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_95" waterExchangeable="false" subType="1" elementSymbol="C" name="CM">
    <chemBonds _IDREF="_96"/>
    <chemBonds _IDREF="_97"/>
    <chemBonds _IDREF="_98"/>
    <chemBonds _IDREF="_99"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_100" waterExchangeable="false" subType="1" elementSymbol="C" name="CN1">
    <chemBonds _IDREF="_101"/>
    <chemBonds _IDREF="_102"/>
    <chemBonds _IDREF="_103"/>
    <chemBonds _IDREF="_104"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_105" waterExchangeable="false" subType="1" elementSymbol="C" name="CO">
    <chemBonds _IDREF="_71"/>
    <chemBonds _IDREF="_99"/>
    <chemBonds _IDREF="_106"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_107" waterExchangeable="false" subType="1" elementSymbol="C" name="CZ2">
    <chemBonds _IDREF="_85"/>
    <chemBonds _IDREF="_93"/>
    <chemBonds _IDREF="_108"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_109" waterExchangeable="false" subType="1" elementSymbol="C" name="CZ3">
    <chemBonds _IDREF="_88"/>
    <chemBonds _IDREF="_94"/>
    <chemBonds _IDREF="_110"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_111" waterExchangeable="false" subType="1" elementSymbol="H" name="HA">
    <chemBonds _IDREF="_70"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_112" waterExchangeable="false" subType="1" elementSymbol="H" name="HB">
    <chemBonds _IDREF="_75"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_113" waterExchangeable="false" subType="1" elementSymbol="H" name="HD1">
    <chemBonds _IDREF="_77"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_114" waterExchangeable="false" subType="1" elementSymbol="H" name="HE3">
    <chemBonds _IDREF="_89"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_115" waterExchangeable="false" subType="1" elementSymbol="H" name="HH2">
    <chemBonds _IDREF="_92"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_3" waterExchangeable="false" subType="1" elementSymbol="H" name="HM1" chemAtomSet="_2">
    <chemBonds _IDREF="_96"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_4" waterExchangeable="false" subType="1" elementSymbol="H" name="HM2" chemAtomSet="_2">
    <chemBonds _IDREF="_97"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_5" waterExchangeable="false" subType="1" elementSymbol="H" name="HM3" chemAtomSet="_2">
    <chemBonds _IDREF="_98"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_7" waterExchangeable="false" subType="1" elementSymbol="H" name="HN1" chemAtomSet="_6">
    <chemBonds _IDREF="_101"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_9" waterExchangeable="false" subType="1" elementSymbol="H" name="HN2" chemAtomSet="_6">
    <chemBonds _IDREF="_102"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_8" waterExchangeable="false" subType="1" elementSymbol="H" name="HN3" chemAtomSet="_6">
    <chemBonds _IDREF="_103"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_116" waterExchangeable="false" subType="1" elementSymbol="H" name="HZ2">
    <chemBonds _IDREF="_108"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_117" waterExchangeable="false" subType="1" elementSymbol="H" name="HZ3">
    <chemBonds _IDREF="_110"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_118" waterExchangeable="false" subType="1" elementSymbol="N" name="NE1">
    <chemBonds _IDREF="_78"/>
    <chemBonds _IDREF="_86"/>
    <chemBonds _IDREF="_104"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemAtom _ID="_119" waterExchangeable="false" subType="1" elementSymbol="O" name="O1">
    <chemBonds _IDREF="_106"/>
    <chemCompVars _IDREF="_72"/>
  </ChemAtom>
  <ChemBond _ID="_69" bondType="double">
    <chemAtoms _IDREF="_73"/>
    <chemAtoms _IDREF="_68"/>
  </ChemBond>
  <ChemBond _ID="_70" bondType="single">
    <chemAtoms _IDREF="_68"/>
    <chemAtoms _IDREF="_111"/>
  </ChemBond>
  <ChemBond _ID="_74" bondType="single">
    <chemAtoms _IDREF="_73"/>
    <chemAtoms _IDREF="_90"/>
  </ChemBond>
  <ChemBond _ID="_75" bondType="single">
    <chemAtoms _IDREF="_73"/>
    <chemAtoms _IDREF="_112"/>
  </ChemBond>
  <ChemBond _ID="_77" bondType="single">
    <chemAtoms _IDREF="_76"/>
    <chemAtoms _IDREF="_113"/>
  </ChemBond>
  <ChemBond _ID="_78" bondType="aromatic">
    <chemAtoms _IDREF="_76"/>
    <chemAtoms _IDREF="_118"/>
  </ChemBond>
  <ChemBond _ID="_81" bondType="aromatic">
    <chemAtoms _IDREF="_80"/>
    <chemAtoms _IDREF="_84"/>
  </ChemBond>
  <ChemBond _ID="_82" bondType="aromatic">
    <chemAtoms _IDREF="_87"/>
    <chemAtoms _IDREF="_80"/>
  </ChemBond>
  <ChemBond _ID="_85" bondType="aromatic">
    <chemAtoms _IDREF="_84"/>
    <chemAtoms _IDREF="_107"/>
  </ChemBond>
  <ChemBond _ID="_88" bondType="aromatic">
    <chemAtoms _IDREF="_87"/>
    <chemAtoms _IDREF="_109"/>
  </ChemBond>
  <ChemBond _ID="_89" bondType="single">
    <chemAtoms _IDREF="_87"/>
    <chemAtoms _IDREF="_114"/>
  </ChemBond>
  <ChemBond _ID="_79" bondType="aromatic">
    <chemAtoms _IDREF="_76"/>
    <chemAtoms _IDREF="_90"/>
  </ChemBond>
  <ChemBond _ID="_83" bondType="aromatic">
    <chemAtoms _IDREF="_80"/>
    <chemAtoms _IDREF="_90"/>
  </ChemBond>
  <ChemBond _ID="_92" bondType="single">
    <chemAtoms _IDREF="_115"/>
    <chemAtoms _IDREF="_91"/>
  </ChemBond>
  <ChemBond _ID="_96" bondType="single">
    <chemAtoms _IDREF="_3"/>
    <chemAtoms _IDREF="_95"/>
  </ChemBond>
  <ChemBond _ID="_97" bondType="single">
    <chemAtoms _IDREF="_4"/>
    <chemAtoms _IDREF="_95"/>
  </ChemBond>
  <ChemBond _ID="_98" bondType="single">
    <chemAtoms _IDREF="_5"/>
    <chemAtoms _IDREF="_95"/>
  </ChemBond>
  <ChemBond _ID="_101" bondType="single">
    <chemAtoms _IDREF="_7"/>
    <chemAtoms _IDREF="_100"/>
  </ChemBond>
  <ChemBond _ID="_102" bondType="single">
    <chemAtoms _IDREF="_100"/>
    <chemAtoms _IDREF="_9"/>
  </ChemBond>
  <ChemBond _ID="_103" bondType="single">
    <chemAtoms _IDREF="_100"/>
    <chemAtoms _IDREF="_8"/>
  </ChemBond>
  <ChemBond _ID="_71" bondType="single">
    <chemAtoms _IDREF="_68"/>
    <chemAtoms _IDREF="_105"/>
  </ChemBond>
  <ChemBond _ID="_99" bondType="single">
    <chemAtoms _IDREF="_95"/>
    <chemAtoms _IDREF="_105"/>
  </ChemBond>
  <ChemBond _ID="_93" bondType="aromatic">
    <chemAtoms _IDREF="_91"/>
    <chemAtoms _IDREF="_107"/>
  </ChemBond>
  <ChemBond _ID="_108" bondType="single">
    <chemAtoms _IDREF="_107"/>
    <chemAtoms _IDREF="_116"/>
  </ChemBond>
  <ChemBond _ID="_94" bondType="aromatic">
    <chemAtoms _IDREF="_91"/>
    <chemAtoms _IDREF="_109"/>
  </ChemBond>
  <ChemBond _ID="_110" bondType="single">
    <chemAtoms _IDREF="_109"/>
    <chemAtoms _IDREF="_117"/>
  </ChemBond>
  <ChemBond _ID="_86" bondType="aromatic">
    <chemAtoms _IDREF="_84"/>
    <chemAtoms _IDREF="_118"/>
  </ChemBond>
  <ChemBond _ID="_104" bondType="single">
    <chemAtoms _IDREF="_100"/>
    <chemAtoms _IDREF="_118"/>
  </ChemBond>
  <ChemBond _ID="_106" bondType="double">
    <chemAtoms _IDREF="_105"/>
    <chemAtoms _IDREF="_119"/>
  </ChemBond>
  <ChemCompVar _ID="_72" isDefaultVar="true" formalCharge="0" isParamagnetic="false" isAromatic="true" linking="none">
    <descriptor>neutral</descriptor>
    <stereoSmiles>C[n]1cc(/C=C/C(C)=O)c2ccccc12</stereoSmiles>
    <chemAtoms _IDREF="_115"/>
    <chemAtoms _IDREF="_107"/>
    <chemAtoms _IDREF="_109"/>
    <chemAtoms _IDREF="_76"/>
    <chemAtoms _IDREF="_80"/>
    <chemAtoms _IDREF="_112"/>
    <chemAtoms _IDREF="_111"/>
    <chemAtoms _IDREF="_119"/>
    <chemAtoms _IDREF="_100"/>
    <chemAtoms _IDREF="_91"/>
    <chemAtoms _IDREF="_117"/>
    <chemAtoms _IDREF="_116"/>
    <chemAtoms _IDREF="_105"/>
    <chemAtoms _IDREF="_95"/>
    <chemAtoms _IDREF="_73"/>
    <chemAtoms _IDREF="_68"/>
    <chemAtoms _IDREF="_90"/>
    <chemAtoms _IDREF="_3"/>
    <chemAtoms _IDREF="_4"/>
    <chemAtoms _IDREF="_5"/>
    <chemAtoms _IDREF="_87"/>
    <chemAtoms _IDREF="_84"/>
    <chemAtoms _IDREF="_113"/>
    <chemAtoms _IDREF="_114"/>
    <chemAtoms _IDREF="_7"/>
    <chemAtoms _IDREF="_8"/>
    <chemAtoms _IDREF="_9"/>
    <chemAtoms _IDREF="_118"/>
  </ChemCompVar>
</NonStdChemComp>

</_StorageUnit>
<!--End of Memops Data-->

