<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Wed Aug  8 14:04:46 2007" release="1.1.a3" 
 packageName="ccp.molecule.ChemComp" root="project" originator="CCPN Python XmlIO">
 
<parent>
  <key1 tag="molType">other</key1>
  <key2 tag="ccpCode">YAN</key2>
</parent>

<NonStdChemComp _ID="_1" molType="other" ccpCode="YAN" cifCode="YAN">
  <name>1,2-DICHLOROBENZENE</name>
  <ChemAtomSysName _ID="_2" atomSubType="1" namingSystem="PDB" atomName="CAC">
    <sysName>CAC</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_3" atomSubType="1" namingSystem="MSD" atomName="CAC">
    <sysName>CAC</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_4" atomSubType="1" namingSystem="PDB" atomName="CAD">
    <sysName>CAD</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_5" atomSubType="1" namingSystem="MSD" atomName="CAD">
    <sysName>CAD</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_6" atomSubType="1" namingSystem="PDB" atomName="CAE">
    <sysName>CAE</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_7" atomSubType="1" namingSystem="MSD" atomName="CAE">
    <sysName>CAE</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_8" atomSubType="1" namingSystem="PDB" atomName="CAF">
    <sysName>CAF</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_9" atomSubType="1" namingSystem="MSD" atomName="CAF">
    <sysName>CAF</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_10" atomSubType="1" namingSystem="PDB" atomName="CAG">
    <sysName>CAG</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_11" atomSubType="1" namingSystem="MSD" atomName="CAG">
    <sysName>CAG</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_12" atomSubType="1" namingSystem="PDB" atomName="CAH">
    <sysName>CAH</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_13" atomSubType="1" namingSystem="MSD" atomName="CAH">
    <sysName>CAH</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_14" atomSubType="1" namingSystem="PDB" atomName="CL1">
    <sysName>CL1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_15" atomSubType="1" namingSystem="MSD" atomName="CL1">
    <sysName>CL1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_16" atomSubType="1" namingSystem="PDB" atomName="CL2">
    <sysName>CL2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_17" atomSubType="1" namingSystem="MSD" atomName="CL2">
    <sysName>CL2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_18" atomSubType="1" namingSystem="PDB" atomName="HAC">
    <sysName>HAC</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_19" atomSubType="1" namingSystem="MSD" atomName="HAC">
    <sysName>HAC</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_20" atomSubType="1" namingSystem="PDB" atomName="HAD">
    <sysName>HAD</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_21" atomSubType="1" namingSystem="MSD" atomName="HAD">
    <sysName>HAD</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_22" atomSubType="1" namingSystem="PDB" atomName="HAE">
    <sysName>HAE</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_23" atomSubType="1" namingSystem="MSD" atomName="HAE">
    <sysName>HAE</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_24" atomSubType="1" namingSystem="PDB" atomName="HAF">
    <sysName>HAF</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_25" atomSubType="1" namingSystem="MSD" atomName="HAF">
    <sysName>HAF</sysName>
  </ChemAtomSysName>
  <ChemAtom _ID="_26" waterExchangeable="false" subType="1" elementSymbol="C" name="CAC">
    <chemBonds _IDREF="_27"/>
    <chemBonds _IDREF="_28"/>
    <chemBonds _IDREF="_29"/>
    <chemCompVars _IDREF="_30"/>
  </ChemAtom>
  <ChemAtom _ID="_31" waterExchangeable="false" subType="1" elementSymbol="C" name="CAD">
    <chemBonds _IDREF="_27"/>
    <chemBonds _IDREF="_32"/>
    <chemBonds _IDREF="_33"/>
    <chemCompVars _IDREF="_30"/>
  </ChemAtom>
  <ChemAtom _ID="_34" waterExchangeable="false" subType="1" elementSymbol="C" name="CAE">
    <chemBonds _IDREF="_29"/>
    <chemBonds _IDREF="_35"/>
    <chemBonds _IDREF="_36"/>
    <chemCompVars _IDREF="_30"/>
  </ChemAtom>
  <ChemAtom _ID="_37" waterExchangeable="false" subType="1" elementSymbol="C" name="CAF">
    <chemBonds _IDREF="_32"/>
    <chemBonds _IDREF="_38"/>
    <chemBonds _IDREF="_39"/>
    <chemCompVars _IDREF="_30"/>
  </ChemAtom>
  <ChemAtom _ID="_40" waterExchangeable="false" subType="1" elementSymbol="C" name="CAG">
    <chemBonds _IDREF="_36"/>
    <chemBonds _IDREF="_41"/>
    <chemBonds _IDREF="_42"/>
    <chemCompVars _IDREF="_30"/>
  </ChemAtom>
  <ChemAtom _ID="_43" waterExchangeable="false" subType="1" elementSymbol="C" name="CAH">
    <chemBonds _IDREF="_38"/>
    <chemBonds _IDREF="_41"/>
    <chemBonds _IDREF="_44"/>
    <chemCompVars _IDREF="_30"/>
  </ChemAtom>
  <ChemAtom _ID="_45" waterExchangeable="false" subType="1" elementSymbol="Cl" name="CL1">
    <chemBonds _IDREF="_42"/>
    <chemCompVars _IDREF="_30"/>
  </ChemAtom>
  <ChemAtom _ID="_46" waterExchangeable="false" subType="1" elementSymbol="Cl" name="CL2">
    <chemBonds _IDREF="_44"/>
    <chemCompVars _IDREF="_30"/>
  </ChemAtom>
  <ChemAtom _ID="_47" waterExchangeable="false" subType="1" elementSymbol="H" name="HAC">
    <chemBonds _IDREF="_28"/>
    <chemCompVars _IDREF="_30"/>
  </ChemAtom>
  <ChemAtom _ID="_48" waterExchangeable="false" subType="1" elementSymbol="H" name="HAD">
    <chemBonds _IDREF="_33"/>
    <chemCompVars _IDREF="_30"/>
  </ChemAtom>
  <ChemAtom _ID="_49" waterExchangeable="false" subType="1" elementSymbol="H" name="HAE">
    <chemBonds _IDREF="_35"/>
    <chemCompVars _IDREF="_30"/>
  </ChemAtom>
  <ChemAtom _ID="_50" waterExchangeable="false" subType="1" elementSymbol="H" name="HAF">
    <chemBonds _IDREF="_39"/>
    <chemCompVars _IDREF="_30"/>
  </ChemAtom>
  <ChemBond _ID="_27" bondType="aromatic">
    <chemAtoms _IDREF="_31"/>
    <chemAtoms _IDREF="_26"/>
  </ChemBond>
  <ChemBond _ID="_28" bondType="single">
    <chemAtoms _IDREF="_47"/>
    <chemAtoms _IDREF="_26"/>
  </ChemBond>
  <ChemBond _ID="_32" bondType="aromatic">
    <chemAtoms _IDREF="_37"/>
    <chemAtoms _IDREF="_31"/>
  </ChemBond>
  <ChemBond _ID="_33" bondType="single">
    <chemAtoms _IDREF="_48"/>
    <chemAtoms _IDREF="_31"/>
  </ChemBond>
  <ChemBond _ID="_29" bondType="aromatic">
    <chemAtoms _IDREF="_34"/>
    <chemAtoms _IDREF="_26"/>
  </ChemBond>
  <ChemBond _ID="_35" bondType="single">
    <chemAtoms _IDREF="_34"/>
    <chemAtoms _IDREF="_49"/>
  </ChemBond>
  <ChemBond _ID="_38" bondType="aromatic">
    <chemAtoms _IDREF="_43"/>
    <chemAtoms _IDREF="_37"/>
  </ChemBond>
  <ChemBond _ID="_39" bondType="single">
    <chemAtoms _IDREF="_37"/>
    <chemAtoms _IDREF="_50"/>
  </ChemBond>
  <ChemBond _ID="_36" bondType="aromatic">
    <chemAtoms _IDREF="_34"/>
    <chemAtoms _IDREF="_40"/>
  </ChemBond>
  <ChemBond _ID="_41" bondType="aromatic">
    <chemAtoms _IDREF="_40"/>
    <chemAtoms _IDREF="_43"/>
  </ChemBond>
  <ChemBond _ID="_44" bondType="single">
    <chemAtoms _IDREF="_43"/>
    <chemAtoms _IDREF="_46"/>
  </ChemBond>
  <ChemBond _ID="_42" bondType="single">
    <chemAtoms _IDREF="_40"/>
    <chemAtoms _IDREF="_45"/>
  </ChemBond>
  <ChemCompVar _ID="_30" isDefaultVar="true" formalCharge="0" isParamagnetic="false" isAromatic="true" linking="none">
    <descriptor>neutral</descriptor>
    <stereoSmiles>Clc1ccccc1Cl</stereoSmiles>
    <chemAtoms _IDREF="_47"/>
    <chemAtoms _IDREF="_48"/>
    <chemAtoms _IDREF="_49"/>
    <chemAtoms _IDREF="_50"/>
    <chemAtoms _IDREF="_45"/>
    <chemAtoms _IDREF="_43"/>
    <chemAtoms _IDREF="_46"/>
    <chemAtoms _IDREF="_26"/>
    <chemAtoms _IDREF="_40"/>
    <chemAtoms _IDREF="_37"/>
    <chemAtoms _IDREF="_34"/>
    <chemAtoms _IDREF="_31"/>
  </ChemCompVar>
</NonStdChemComp>

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

