<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Wed Aug  8 14:06:41 2007" release="1.1.a3" 
 packageName="ccp.molecule.ChemComp" root="project" originator="CCPN Python XmlIO">
 
<parent>
  <key1 tag="molType">other</key1>
  <key2 tag="ccpCode">XAR</key2>
</parent>

<NonStdChemComp _ID="_1" molType="other" ccpCode="XAR" cifCode="XAR">
  <name>[(1R,4S,6S)-4-(6-AMINO-9H-PURIN-9-YL)-6-HYDROXYCYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE</name>
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    <chemAtoms _IDREF="_3"/>
    <chemAtoms _IDREF="_4"/>
  </ChemAtomSet>
  <ChemAtomSet _ID="_5" subType="1" isEquivalent="false" isProchiral="true" distCorr="0.0" name="H5'_*">
    <chemAtoms _IDREF="_6"/>
    <chemAtoms _IDREF="_7"/>
  </ChemAtomSet>
  <ChemAtomSet _ID="_8" subType="1" isEquivalent="false" isProchiral="false" distCorr="0.0" name="HN6_*">
    <chemAtoms _IDREF="_9"/>
    <chemAtoms _IDREF="_10"/>
  </ChemAtomSet>
  <ChemAtomSysName _ID="_11" atomSubType="1" namingSystem="PDB" atomName="C1'">
    <sysName>C1*</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_12" atomSubType="1" namingSystem="MSD" atomName="C1'">
    <sysName>C1'</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_13" atomSubType="1" namingSystem="PDB" atomName="C2">
    <sysName>C2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_14" atomSubType="1" namingSystem="MSD" atomName="C2">
    <sysName>C2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_15" atomSubType="1" namingSystem="PDB" atomName="C2'">
    <sysName>C2*</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_16" atomSubType="1" namingSystem="MSD" atomName="C2'">
    <sysName>C2'</sysName>
  </ChemAtomSysName>
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    <sysName>C3*</sysName>
  </ChemAtomSysName>
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    <sysName>C3'</sysName>
  </ChemAtomSysName>
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    <sysName>C4</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_20" atomSubType="1" namingSystem="MSD" atomName="C4">
    <sysName>C4</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_21" atomSubType="1" namingSystem="PDB" atomName="C4'">
    <sysName>C4*</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_22" atomSubType="1" namingSystem="MSD" atomName="C4'">
    <sysName>C4'</sysName>
  </ChemAtomSysName>
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    <sysName>C5</sysName>
  </ChemAtomSysName>
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    <sysName>C5*</sysName>
  </ChemAtomSysName>
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    <sysName>C5'</sysName>
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    <sysName>C6</sysName>
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    <sysName>C6</sysName>
  </ChemAtomSysName>
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    <sysName>C6*</sysName>
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    <sysName>C6'</sysName>
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    <chemCompVars _IDREF="_97"/>
  </ChemAtom>
  <ChemAtom _ID="_166" waterExchangeable="false" subType="1" elementSymbol="P" name="P">
    <chemBonds _IDREF="_158"/>
    <chemBonds _IDREF="_163"/>
    <chemBonds _IDREF="_160"/>
    <chemBonds _IDREF="_165"/>
    <chemCompVars _IDREF="_97"/>
  </ChemAtom>
  <ChemBond _ID="_93" bondType="single">
    <chemAtoms _IDREF="_92"/>
    <chemAtoms _IDREF="_131"/>
  </ChemBond>
  <ChemBond _ID="_94" bondType="single">
    <chemAtoms _IDREF="_137"/>
    <chemAtoms _IDREF="_92"/>
  </ChemBond>
  <ChemBond _ID="_95" bondType="single">
    <chemAtoms _IDREF="_156"/>
    <chemAtoms _IDREF="_92"/>
  </ChemBond>
  <ChemBond _ID="_99" bondType="single">
    <chemAtoms _IDREF="_138"/>
    <chemAtoms _IDREF="_98"/>
  </ChemBond>
  <ChemBond _ID="_96" bondType="single">
    <chemAtoms _IDREF="_102"/>
    <chemAtoms _IDREF="_92"/>
  </ChemBond>
  <ChemBond _ID="_103" bondType="single">
    <chemAtoms _IDREF="_3"/>
    <chemAtoms _IDREF="_102"/>
  </ChemBond>
  <ChemBond _ID="_104" bondType="single">
    <chemAtoms _IDREF="_4"/>
    <chemAtoms _IDREF="_102"/>
  </ChemBond>
  <ChemBond _ID="_105" bondType="single">
    <chemAtoms _IDREF="_102"/>
    <chemAtoms _IDREF="_106"/>
  </ChemBond>
  <ChemBond _ID="_107" bondType="single">
    <chemAtoms _IDREF="_139"/>
    <chemAtoms _IDREF="_106"/>
  </ChemBond>
  <ChemBond _ID="_108" bondType="single">
    <chemAtoms _IDREF="_161"/>
    <chemAtoms _IDREF="_106"/>
  </ChemBond>
  <ChemBond _ID="_111" bondType="aromatic">
    <chemAtoms _IDREF="_153"/>
    <chemAtoms _IDREF="_110"/>
  </ChemBond>
  <ChemBond _ID="_109" bondType="single">
    <chemAtoms _IDREF="_114"/>
    <chemAtoms _IDREF="_106"/>
  </ChemBond>
  <ChemBond _ID="_115" bondType="single">
    <chemAtoms _IDREF="_114"/>
    <chemAtoms _IDREF="_128"/>
  </ChemBond>
  <ChemBond _ID="_116" bondType="single">
    <chemAtoms _IDREF="_142"/>
    <chemAtoms _IDREF="_114"/>
  </ChemBond>
  <ChemBond _ID="_112" bondType="aromatic">
    <chemAtoms _IDREF="_118"/>
    <chemAtoms _IDREF="_110"/>
  </ChemBond>
  <ChemBond _ID="_119" bondType="aromatic">
    <chemAtoms _IDREF="_118"/>
    <chemAtoms _IDREF="_125"/>
  </ChemBond>
  <ChemBond _ID="_117" bondType="single">
    <chemAtoms _IDREF="_114"/>
    <chemAtoms _IDREF="_121"/>
  </ChemBond>
  <ChemBond _ID="_122" bondType="single">
    <chemAtoms _IDREF="_6"/>
    <chemAtoms _IDREF="_121"/>
  </ChemBond>
  <ChemBond _ID="_123" bondType="single">
    <chemAtoms _IDREF="_7"/>
    <chemAtoms _IDREF="_121"/>
  </ChemBond>
  <ChemBond _ID="_126" bondType="aromatic">
    <chemAtoms _IDREF="_152"/>
    <chemAtoms _IDREF="_125"/>
  </ChemBond>
  <ChemBond _ID="_127" bondType="single">
    <chemAtoms _IDREF="_154"/>
    <chemAtoms _IDREF="_125"/>
  </ChemBond>
  <ChemBond _ID="_129" bondType="single">
    <chemAtoms _IDREF="_143"/>
    <chemAtoms _IDREF="_128"/>
  </ChemBond>
  <ChemBond _ID="_130" bondType="double">
    <chemAtoms _IDREF="_128"/>
    <chemAtoms _IDREF="_131"/>
  </ChemBond>
  <ChemBond _ID="_132" bondType="single">
    <chemAtoms _IDREF="_144"/>
    <chemAtoms _IDREF="_131"/>
  </ChemBond>
  <ChemBond _ID="_134" bondType="single">
    <chemAtoms _IDREF="_145"/>
    <chemAtoms _IDREF="_133"/>
  </ChemBond>
  <ChemBond _ID="_135" bondType="aromatic">
    <chemAtoms _IDREF="_155"/>
    <chemAtoms _IDREF="_133"/>
  </ChemBond>
  <ChemBond _ID="_100" bondType="aromatic">
    <chemAtoms _IDREF="_152"/>
    <chemAtoms _IDREF="_98"/>
  </ChemBond>
  <ChemBond _ID="_101" bondType="aromatic">
    <chemAtoms _IDREF="_153"/>
    <chemAtoms _IDREF="_98"/>
  </ChemBond>
  <ChemBond _ID="_146" bondType="single">
    <chemAtoms _IDREF="_9"/>
    <chemAtoms _IDREF="_154"/>
  </ChemBond>
  <ChemBond _ID="_147" bondType="single">
    <chemAtoms _IDREF="_10"/>
    <chemAtoms _IDREF="_154"/>
  </ChemBond>
  <ChemBond _ID="_120" bondType="aromatic">
    <chemAtoms _IDREF="_155"/>
    <chemAtoms _IDREF="_118"/>
  </ChemBond>
  <ChemBond _ID="_113" bondType="aromatic">
    <chemAtoms _IDREF="_156"/>
    <chemAtoms _IDREF="_110"/>
  </ChemBond>
  <ChemBond _ID="_136" bondType="aromatic">
    <chemAtoms _IDREF="_156"/>
    <chemAtoms _IDREF="_133"/>
  </ChemBond>
  <ChemBond _ID="_158" bondType="double">
    <chemAtoms _IDREF="_157"/>
    <chemAtoms _IDREF="_166"/>
  </ChemBond>
  <ChemBond _ID="_149" bondType="single">
    <chemAtoms _IDREF="_148"/>
    <chemAtoms _IDREF="_159"/>
  </ChemBond>
  <ChemBond _ID="_141" bondType="single">
    <chemAtoms _IDREF="_161"/>
    <chemAtoms _IDREF="_140"/>
  </ChemBond>
  <ChemBond _ID="_151" bondType="single">
    <chemAtoms _IDREF="_150"/>
    <chemAtoms _IDREF="_162"/>
  </ChemBond>
  <ChemBond _ID="_163" bondType="single">
    <chemAtoms _IDREF="_162"/>
    <chemAtoms _IDREF="_166"/>
  </ChemBond>
  <ChemBond _ID="_124" bondType="single">
    <chemAtoms _IDREF="_164"/>
    <chemAtoms _IDREF="_121"/>
  </ChemBond>
  <ChemBond _ID="_160" bondType="single">
    <chemAtoms _IDREF="_159"/>
    <chemAtoms _IDREF="_166"/>
  </ChemBond>
  <ChemBond _ID="_165" bondType="single">
    <chemAtoms _IDREF="_164"/>
    <chemAtoms _IDREF="_166"/>
  </ChemBond>
  <ChemCompVar _ID="_97" isDefaultVar="true" formalCharge="0" isParamagnetic="false" isAromatic="true" linking="none">
    <descriptor>neutral</descriptor>
    <stereoSmiles>Nc1ncnc2[n](cnc12)[C@H]3C[C@H](O)[C@@H](COP(O)(O)=O)C=C3</stereoSmiles>
    <chemAtoms _IDREF="_157"/>
    <chemAtoms _IDREF="_162"/>
    <chemAtoms _IDREF="_106"/>
    <chemAtoms _IDREF="_92"/>
    <chemAtoms _IDREF="_121"/>
    <chemAtoms _IDREF="_150"/>
    <chemAtoms _IDREF="_148"/>
    <chemAtoms _IDREF="_131"/>
    <chemAtoms _IDREF="_139"/>
    <chemAtoms _IDREF="_144"/>
    <chemAtoms _IDREF="_152"/>
    <chemAtoms _IDREF="_133"/>
    <chemAtoms _IDREF="_98"/>
    <chemAtoms _IDREF="_155"/>
    <chemAtoms _IDREF="_125"/>
    <chemAtoms _IDREF="_118"/>
    <chemAtoms _IDREF="_110"/>
    <chemAtoms _IDREF="_3"/>
    <chemAtoms _IDREF="_6"/>
    <chemAtoms _IDREF="_7"/>
    <chemAtoms _IDREF="_4"/>
    <chemAtoms _IDREF="_159"/>
    <chemAtoms _IDREF="_156"/>
    <chemAtoms _IDREF="_114"/>
    <chemAtoms _IDREF="_102"/>
    <chemAtoms _IDREF="_140"/>
    <chemAtoms _IDREF="_128"/>
    <chemAtoms _IDREF="_153"/>
    <chemAtoms _IDREF="_154"/>
    <chemAtoms _IDREF="_137"/>
    <chemAtoms _IDREF="_142"/>
    <chemAtoms _IDREF="_145"/>
    <chemAtoms _IDREF="_166"/>
    <chemAtoms _IDREF="_138"/>
    <chemAtoms _IDREF="_164"/>
    <chemAtoms _IDREF="_143"/>
    <chemAtoms _IDREF="_161"/>
    <chemAtoms _IDREF="_9"/>
    <chemAtoms _IDREF="_10"/>
  </ChemCompVar>
</NonStdChemComp>

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

