<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Thu Jan 25 14:42:43 2007" release="1.1.a2" 
 packageName="ccp.molecule.ChemComp" root="project" originator="CCPN Python XmlIO">
 
<parent>
  <key1 tag="molType">other</key1>
  <key2 tag="ccpCode">XAE</key2>
</parent>

<NonStdChemComp _ID="_1" molType="other" ccpCode="XAE" cifCode="XAE">
  <name>3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-3H-IMIDAZO[4,5-G]QUINAZOLIN-8-AMINE</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="C10">
    <sysName>C10</sysName>
  </ChemAtomSysName>
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    <sysName>C10</sysName>
  </ChemAtomSysName>
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    <sysName>C11</sysName>
  </ChemAtomSysName>
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    <sysName>C11</sysName>
  </ChemAtomSysName>
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    <sysName>C2</sysName>
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    <sysName>C2</sysName>
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    <sysName>C2'</sysName>
  </ChemAtomSysName>
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    <sysName>C2'</sysName>
  </ChemAtomSysName>
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    <sysName>C3'</sysName>
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    <chemCompVars _IDREF="_103"/>
  </ChemAtom>
  <ChemAtom _ID="_168" waterExchangeable="false" subType="1" elementSymbol="N" name="N9">
    <chemBonds _IDREF="_100"/>
    <chemBonds _IDREF="_107"/>
    <chemBonds _IDREF="_144"/>
    <chemCompVars _IDREF="_103"/>
  </ChemAtom>
  <ChemAtom _ID="_169" waterExchangeable="false" subType="1" elementSymbol="O" name="O1P">
    <chemBonds _IDREF="_160"/>
    <chemBonds _IDREF="_170"/>
    <chemCompVars _IDREF="_103"/>
  </ChemAtom>
  <ChemAtom _ID="_171" waterExchangeable="false" subType="1" elementSymbol="O" name="O2P">
    <chemBonds _IDREF="_172"/>
    <chemCompVars _IDREF="_103"/>
  </ChemAtom>
  <ChemAtom _ID="_173" waterExchangeable="false" subType="1" elementSymbol="O" name="O3'">
    <chemBonds _IDREF="_121"/>
    <chemBonds _IDREF="_153"/>
    <chemCompVars _IDREF="_103"/>
  </ChemAtom>
  <ChemAtom _ID="_174" waterExchangeable="false" subType="1" elementSymbol="O" name="O3P">
    <chemBonds _IDREF="_162"/>
    <chemBonds _IDREF="_175"/>
    <chemCompVars _IDREF="_103"/>
  </ChemAtom>
  <ChemAtom _ID="_176" waterExchangeable="false" subType="1" elementSymbol="O" name="O4'">
    <chemBonds _IDREF="_129"/>
    <chemBonds _IDREF="_102"/>
    <chemCompVars _IDREF="_103"/>
  </ChemAtom>
  <ChemAtom _ID="_177" waterExchangeable="false" subType="1" elementSymbol="O" name="O5'">
    <chemBonds _IDREF="_137"/>
    <chemBonds _IDREF="_178"/>
    <chemCompVars _IDREF="_103"/>
  </ChemAtom>
  <ChemAtom _ID="_179" waterExchangeable="false" subType="1" elementSymbol="P" name="P">
    <chemBonds _IDREF="_170"/>
    <chemBonds _IDREF="_172"/>
    <chemBonds _IDREF="_175"/>
    <chemBonds _IDREF="_178"/>
    <chemCompVars _IDREF="_103"/>
  </ChemAtom>
  <ChemBond _ID="_99" bondType="single">
    <chemAtoms _IDREF="_98"/>
    <chemAtoms _IDREF="_149"/>
  </ChemBond>
  <ChemBond _ID="_100" bondType="single">
    <chemAtoms _IDREF="_98"/>
    <chemAtoms _IDREF="_168"/>
  </ChemBond>
  <ChemBond _ID="_105" bondType="aromatic">
    <chemAtoms _IDREF="_108"/>
    <chemAtoms _IDREF="_104"/>
  </ChemBond>
  <ChemBond _ID="_106" bondType="aromatic">
    <chemAtoms _IDREF="_145"/>
    <chemAtoms _IDREF="_104"/>
  </ChemBond>
  <ChemBond _ID="_109" bondType="aromatic">
    <chemAtoms _IDREF="_147"/>
    <chemAtoms _IDREF="_108"/>
  </ChemBond>
  <ChemBond _ID="_112" bondType="single">
    <chemAtoms _IDREF="_150"/>
    <chemAtoms _IDREF="_111"/>
  </ChemBond>
  <ChemBond _ID="_113" bondType="aromatic">
    <chemAtoms _IDREF="_165"/>
    <chemAtoms _IDREF="_111"/>
  </ChemBond>
  <ChemBond _ID="_101" bondType="single">
    <chemAtoms _IDREF="_98"/>
    <chemAtoms _IDREF="_115"/>
  </ChemBond>
  <ChemBond _ID="_116" bondType="single">
    <chemAtoms _IDREF="_3"/>
    <chemAtoms _IDREF="_115"/>
  </ChemBond>
  <ChemBond _ID="_117" bondType="single">
    <chemAtoms _IDREF="_4"/>
    <chemAtoms _IDREF="_115"/>
  </ChemBond>
  <ChemBond _ID="_118" bondType="single">
    <chemAtoms _IDREF="_115"/>
    <chemAtoms _IDREF="_119"/>
  </ChemBond>
  <ChemBond _ID="_120" bondType="single">
    <chemAtoms _IDREF="_151"/>
    <chemAtoms _IDREF="_119"/>
  </ChemBond>
  <ChemBond _ID="_121" bondType="single">
    <chemAtoms _IDREF="_173"/>
    <chemAtoms _IDREF="_119"/>
  </ChemBond>
  <ChemBond _ID="_124" bondType="aromatic">
    <chemAtoms _IDREF="_145"/>
    <chemAtoms _IDREF="_123"/>
  </ChemBond>
  <ChemBond _ID="_125" bondType="aromatic">
    <chemAtoms _IDREF="_165"/>
    <chemAtoms _IDREF="_123"/>
  </ChemBond>
  <ChemBond _ID="_122" bondType="single">
    <chemAtoms _IDREF="_127"/>
    <chemAtoms _IDREF="_119"/>
  </ChemBond>
  <ChemBond _ID="_128" bondType="single">
    <chemAtoms _IDREF="_154"/>
    <chemAtoms _IDREF="_127"/>
  </ChemBond>
  <ChemBond _ID="_129" bondType="single">
    <chemAtoms _IDREF="_176"/>
    <chemAtoms _IDREF="_127"/>
  </ChemBond>
  <ChemBond _ID="_126" bondType="aromatic">
    <chemAtoms _IDREF="_123"/>
    <chemAtoms _IDREF="_131"/>
  </ChemBond>
  <ChemBond _ID="_132" bondType="aromatic">
    <chemAtoms _IDREF="_138"/>
    <chemAtoms _IDREF="_131"/>
  </ChemBond>
  <ChemBond _ID="_133" bondType="aromatic">
    <chemAtoms _IDREF="_147"/>
    <chemAtoms _IDREF="_131"/>
  </ChemBond>
  <ChemBond _ID="_130" bondType="single">
    <chemAtoms _IDREF="_127"/>
    <chemAtoms _IDREF="_134"/>
  </ChemBond>
  <ChemBond _ID="_135" bondType="single">
    <chemAtoms _IDREF="_6"/>
    <chemAtoms _IDREF="_134"/>
  </ChemBond>
  <ChemBond _ID="_136" bondType="single">
    <chemAtoms _IDREF="_7"/>
    <chemAtoms _IDREF="_134"/>
  </ChemBond>
  <ChemBond _ID="_137" bondType="single">
    <chemAtoms _IDREF="_177"/>
    <chemAtoms _IDREF="_134"/>
  </ChemBond>
  <ChemBond _ID="_139" bondType="aromatic">
    <chemAtoms _IDREF="_138"/>
    <chemAtoms _IDREF="_164"/>
  </ChemBond>
  <ChemBond _ID="_140" bondType="single">
    <chemAtoms _IDREF="_138"/>
    <chemAtoms _IDREF="_166"/>
  </ChemBond>
  <ChemBond _ID="_142" bondType="single">
    <chemAtoms _IDREF="_155"/>
    <chemAtoms _IDREF="_141"/>
  </ChemBond>
  <ChemBond _ID="_143" bondType="aromatic">
    <chemAtoms _IDREF="_141"/>
    <chemAtoms _IDREF="_167"/>
  </ChemBond>
  <ChemBond _ID="_146" bondType="single">
    <chemAtoms _IDREF="_156"/>
    <chemAtoms _IDREF="_145"/>
  </ChemBond>
  <ChemBond _ID="_148" bondType="single">
    <chemAtoms _IDREF="_147"/>
    <chemAtoms _IDREF="_163"/>
  </ChemBond>
  <ChemBond _ID="_114" bondType="aromatic">
    <chemAtoms _IDREF="_164"/>
    <chemAtoms _IDREF="_111"/>
  </ChemBond>
  <ChemBond _ID="_157" bondType="single">
    <chemAtoms _IDREF="_9"/>
    <chemAtoms _IDREF="_166"/>
  </ChemBond>
  <ChemBond _ID="_158" bondType="single">
    <chemAtoms _IDREF="_10"/>
    <chemAtoms _IDREF="_166"/>
  </ChemBond>
  <ChemBond _ID="_110" bondType="aromatic">
    <chemAtoms _IDREF="_167"/>
    <chemAtoms _IDREF="_108"/>
  </ChemBond>
  <ChemBond _ID="_107" bondType="aromatic">
    <chemAtoms _IDREF="_104"/>
    <chemAtoms _IDREF="_168"/>
  </ChemBond>
  <ChemBond _ID="_144" bondType="aromatic">
    <chemAtoms _IDREF="_141"/>
    <chemAtoms _IDREF="_168"/>
  </ChemBond>
  <ChemBond _ID="_160" bondType="single">
    <chemAtoms _IDREF="_169"/>
    <chemAtoms _IDREF="_159"/>
  </ChemBond>
  <ChemBond _ID="_153" bondType="single">
    <chemAtoms _IDREF="_152"/>
    <chemAtoms _IDREF="_173"/>
  </ChemBond>
  <ChemBond _ID="_162" bondType="single">
    <chemAtoms _IDREF="_161"/>
    <chemAtoms _IDREF="_174"/>
  </ChemBond>
  <ChemBond _ID="_102" bondType="single">
    <chemAtoms _IDREF="_98"/>
    <chemAtoms _IDREF="_176"/>
  </ChemBond>
  <ChemBond _ID="_170" bondType="single">
    <chemAtoms _IDREF="_179"/>
    <chemAtoms _IDREF="_169"/>
  </ChemBond>
  <ChemBond _ID="_172" bondType="double">
    <chemAtoms _IDREF="_179"/>
    <chemAtoms _IDREF="_171"/>
  </ChemBond>
  <ChemBond _ID="_175" bondType="single">
    <chemAtoms _IDREF="_179"/>
    <chemAtoms _IDREF="_174"/>
  </ChemBond>
  <ChemBond _ID="_178" bondType="single">
    <chemAtoms _IDREF="_179"/>
    <chemAtoms _IDREF="_177"/>
  </ChemBond>
  <ChemCompVar _ID="_103" isDefaultVar="true" formalCharge="0" isParamagnetic="false" isAromatic="true" linking="none">
    <descriptor>neutral</descriptor>
    <stereoSmiles>Nc1ncnc2cc3[n](cnc3cc12)[C@H]4C[C@H](O)[C@@H](COP(O)(O)=O)O4</stereoSmiles>
    <chemAtoms _IDREF="_169"/>
    <chemAtoms _IDREF="_174"/>
    <chemAtoms _IDREF="_119"/>
    <chemAtoms _IDREF="_98"/>
    <chemAtoms _IDREF="_134"/>
    <chemAtoms _IDREF="_108"/>
    <chemAtoms _IDREF="_104"/>
    <chemAtoms _IDREF="_156"/>
    <chemAtoms _IDREF="_165"/>
    <chemAtoms _IDREF="_151"/>
    <chemAtoms _IDREF="_176"/>
    <chemAtoms _IDREF="_159"/>
    <chemAtoms _IDREF="_141"/>
    <chemAtoms _IDREF="_111"/>
    <chemAtoms _IDREF="_167"/>
    <chemAtoms _IDREF="_138"/>
    <chemAtoms _IDREF="_131"/>
    <chemAtoms _IDREF="_123"/>
    <chemAtoms _IDREF="_3"/>
    <chemAtoms _IDREF="_6"/>
    <chemAtoms _IDREF="_7"/>
    <chemAtoms _IDREF="_4"/>
    <chemAtoms _IDREF="_171"/>
    <chemAtoms _IDREF="_145"/>
    <chemAtoms _IDREF="_168"/>
    <chemAtoms _IDREF="_127"/>
    <chemAtoms _IDREF="_115"/>
    <chemAtoms _IDREF="_152"/>
    <chemAtoms _IDREF="_164"/>
    <chemAtoms _IDREF="_147"/>
    <chemAtoms _IDREF="_166"/>
    <chemAtoms _IDREF="_149"/>
    <chemAtoms _IDREF="_154"/>
    <chemAtoms _IDREF="_155"/>
    <chemAtoms _IDREF="_163"/>
    <chemAtoms _IDREF="_179"/>
    <chemAtoms _IDREF="_150"/>
    <chemAtoms _IDREF="_177"/>
    <chemAtoms _IDREF="_173"/>
    <chemAtoms _IDREF="_161"/>
    <chemAtoms _IDREF="_9"/>
    <chemAtoms _IDREF="_10"/>
  </ChemCompVar>
</NonStdChemComp>

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

