<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Wed Aug  8 14:04:12 2007" release="1.1.a3" 
 packageName="ccp.molecule.ChemComp" root="project" originator="CCPN Python XmlIO">
 
<parent>
  <key1 tag="molType">other</key1>
  <key2 tag="ccpCode">NCX</key2>
</parent>

<NonStdChemComp _ID="_1" molType="other" ccpCode="NCX" cifCode="NCX">
  <name>1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-NITRO-1H-INDOLE-3-CARBOXAMIDE</name>
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  </ChemAtomSysName>
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    <sysName>1H5*</sysName>
  </ChemAtomSysName>
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    <sysName>1HH7</sysName>
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    <sysName>2H2*</sysName>
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    <sysName>2H5*</sysName>
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    <sysName>2H5*</sysName>
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    <chemCompVars _IDREF="_90"/>
  </ChemAtom>
  <ChemAtom _ID="_170" waterExchangeable="false" subType="1" elementSymbol="O" name="O3P">
    <chemBonds _IDREF="_104"/>
    <chemBonds _IDREF="_171"/>
    <chemCompVars _IDREF="_90"/>
  </ChemAtom>
  <ChemAtom _ID="_172" waterExchangeable="false" subType="1" elementSymbol="O" name="O4*">
    <chemBonds _IDREF="_131"/>
    <chemBonds _IDREF="_113"/>
    <chemCompVars _IDREF="_90"/>
  </ChemAtom>
  <ChemAtom _ID="_173" waterExchangeable="false" subType="1" elementSymbol="O" name="O5*">
    <chemBonds _IDREF="_137"/>
    <chemBonds _IDREF="_174"/>
    <chemCompVars _IDREF="_90"/>
  </ChemAtom>
  <ChemAtom _ID="_175" waterExchangeable="false" subType="1" elementSymbol="O" name="O7">
    <chemBonds _IDREF="_148"/>
    <chemCompVars _IDREF="_90"/>
  </ChemAtom>
  <ChemAtom _ID="_176" waterExchangeable="false" subType="1" elementSymbol="P" name="P">
    <chemBonds _IDREF="_166"/>
    <chemBonds _IDREF="_168"/>
    <chemBonds _IDREF="_171"/>
    <chemBonds _IDREF="_174"/>
    <chemCompVars _IDREF="_90"/>
  </ChemAtom>
  <ChemBond _ID="_106" bondType="aromatic">
    <chemAtoms _IDREF="_105"/>
    <chemAtoms _IDREF="_138"/>
  </ChemBond>
  <ChemBond _ID="_107" bondType="single">
    <chemAtoms _IDREF="_105"/>
    <chemAtoms _IDREF="_158"/>
  </ChemBond>
  <ChemBond _ID="_110" bondType="single">
    <chemAtoms _IDREF="_109"/>
    <chemAtoms _IDREF="_117"/>
  </ChemBond>
  <ChemBond _ID="_111" bondType="single">
    <chemAtoms _IDREF="_109"/>
    <chemAtoms _IDREF="_149"/>
  </ChemBond>
  <ChemBond _ID="_112" bondType="single">
    <chemAtoms _IDREF="_109"/>
    <chemAtoms _IDREF="_161"/>
  </ChemBond>
  <ChemBond _ID="_108" bondType="aromatic">
    <chemAtoms _IDREF="_105"/>
    <chemAtoms _IDREF="_114"/>
  </ChemBond>
  <ChemBond _ID="_115" bondType="single">
    <chemAtoms _IDREF="_114"/>
    <chemAtoms _IDREF="_150"/>
  </ChemBond>
  <ChemBond _ID="_89" bondType="single">
    <chemAtoms _IDREF="_117"/>
    <chemAtoms _IDREF="_88"/>
  </ChemBond>
  <ChemBond _ID="_96" bondType="single">
    <chemAtoms _IDREF="_117"/>
    <chemAtoms _IDREF="_95"/>
  </ChemBond>
  <ChemBond _ID="_116" bondType="aromatic">
    <chemAtoms _IDREF="_114"/>
    <chemAtoms _IDREF="_119"/>
  </ChemBond>
  <ChemBond _ID="_120" bondType="single">
    <chemAtoms _IDREF="_119"/>
    <chemAtoms _IDREF="_151"/>
  </ChemBond>
  <ChemBond _ID="_118" bondType="single">
    <chemAtoms _IDREF="_117"/>
    <chemAtoms _IDREF="_122"/>
  </ChemBond>
  <ChemBond _ID="_123" bondType="single">
    <chemAtoms _IDREF="_122"/>
    <chemAtoms _IDREF="_152"/>
  </ChemBond>
  <ChemBond _ID="_124" bondType="single">
    <chemAtoms _IDREF="_122"/>
    <chemAtoms _IDREF="_169"/>
  </ChemBond>
  <ChemBond _ID="_121" bondType="aromatic">
    <chemAtoms _IDREF="_119"/>
    <chemAtoms _IDREF="_126"/>
  </ChemBond>
  <ChemBond _ID="_125" bondType="single">
    <chemAtoms _IDREF="_122"/>
    <chemAtoms _IDREF="_129"/>
  </ChemBond>
  <ChemBond _ID="_130" bondType="single">
    <chemAtoms _IDREF="_129"/>
    <chemAtoms _IDREF="_155"/>
  </ChemBond>
  <ChemBond _ID="_131" bondType="single">
    <chemAtoms _IDREF="_129"/>
    <chemAtoms _IDREF="_172"/>
  </ChemBond>
  <ChemBond _ID="_127" bondType="aromatic">
    <chemAtoms _IDREF="_126"/>
    <chemAtoms _IDREF="_133"/>
  </ChemBond>
  <ChemBond _ID="_134" bondType="aromatic">
    <chemAtoms _IDREF="_133"/>
    <chemAtoms _IDREF="_138"/>
  </ChemBond>
  <ChemBond _ID="_92" bondType="single">
    <chemAtoms _IDREF="_136"/>
    <chemAtoms _IDREF="_91"/>
  </ChemBond>
  <ChemBond _ID="_98" bondType="single">
    <chemAtoms _IDREF="_97"/>
    <chemAtoms _IDREF="_136"/>
  </ChemBond>
  <ChemBond _ID="_132" bondType="single">
    <chemAtoms _IDREF="_129"/>
    <chemAtoms _IDREF="_136"/>
  </ChemBond>
  <ChemBond _ID="_139" bondType="single">
    <chemAtoms _IDREF="_138"/>
    <chemAtoms _IDREF="_156"/>
  </ChemBond>
  <ChemBond _ID="_135" bondType="aromatic">
    <chemAtoms _IDREF="_133"/>
    <chemAtoms _IDREF="_140"/>
  </ChemBond>
  <ChemBond _ID="_141" bondType="single">
    <chemAtoms _IDREF="_140"/>
    <chemAtoms _IDREF="_146"/>
  </ChemBond>
  <ChemBond _ID="_142" bondType="aromatic">
    <chemAtoms _IDREF="_140"/>
    <chemAtoms _IDREF="_143"/>
  </ChemBond>
  <ChemBond _ID="_144" bondType="single">
    <chemAtoms _IDREF="_143"/>
    <chemAtoms _IDREF="_157"/>
  </ChemBond>
  <ChemBond _ID="_147" bondType="single">
    <chemAtoms _IDREF="_146"/>
    <chemAtoms _IDREF="_162"/>
  </ChemBond>
  <ChemBond _ID="_148" bondType="double">
    <chemAtoms _IDREF="_146"/>
    <chemAtoms _IDREF="_175"/>
  </ChemBond>
  <ChemBond _ID="_159" bondType="double">
    <chemAtoms _IDREF="_158"/>
    <chemAtoms _IDREF="_163"/>
  </ChemBond>
  <ChemBond _ID="_160" bondType="single">
    <chemAtoms _IDREF="_158"/>
    <chemAtoms _IDREF="_164"/>
  </ChemBond>
  <ChemBond _ID="_128" bondType="aromatic">
    <chemAtoms _IDREF="_126"/>
    <chemAtoms _IDREF="_161"/>
  </ChemBond>
  <ChemBond _ID="_145" bondType="aromatic">
    <chemAtoms _IDREF="_143"/>
    <chemAtoms _IDREF="_161"/>
  </ChemBond>
  <ChemBond _ID="_94" bondType="single">
    <chemAtoms _IDREF="_162"/>
    <chemAtoms _IDREF="_93"/>
  </ChemBond>
  <ChemBond _ID="_100" bondType="single">
    <chemAtoms _IDREF="_99"/>
    <chemAtoms _IDREF="_162"/>
  </ChemBond>
  <ChemBond _ID="_102" bondType="single">
    <chemAtoms _IDREF="_101"/>
    <chemAtoms _IDREF="_167"/>
  </ChemBond>
  <ChemBond _ID="_154" bondType="single">
    <chemAtoms _IDREF="_169"/>
    <chemAtoms _IDREF="_153"/>
  </ChemBond>
  <ChemBond _ID="_104" bondType="single">
    <chemAtoms _IDREF="_103"/>
    <chemAtoms _IDREF="_170"/>
  </ChemBond>
  <ChemBond _ID="_113" bondType="single">
    <chemAtoms _IDREF="_109"/>
    <chemAtoms _IDREF="_172"/>
  </ChemBond>
  <ChemBond _ID="_137" bondType="single">
    <chemAtoms _IDREF="_136"/>
    <chemAtoms _IDREF="_173"/>
  </ChemBond>
  <ChemBond _ID="_166" bondType="double">
    <chemAtoms _IDREF="_176"/>
    <chemAtoms _IDREF="_165"/>
  </ChemBond>
  <ChemBond _ID="_168" bondType="single">
    <chemAtoms _IDREF="_176"/>
    <chemAtoms _IDREF="_167"/>
  </ChemBond>
  <ChemBond _ID="_171" bondType="single">
    <chemAtoms _IDREF="_176"/>
    <chemAtoms _IDREF="_170"/>
  </ChemBond>
  <ChemBond _ID="_174" bondType="single">
    <chemAtoms _IDREF="_176"/>
    <chemAtoms _IDREF="_173"/>
  </ChemBond>
  <ChemCompVar _ID="_90" isDefaultVar="true" formalCharge="0" isParamagnetic="false" isAromatic="true" linking="none">
    <descriptor>neutral</descriptor>
    <stereoSmiles>NC(=O)c1c[n]([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c3ccc(cc13)[N+]([O-])=O</stereoSmiles>
    <chemAtoms _IDREF="_109"/>
    <chemAtoms _IDREF="_153"/>
    <chemAtoms _IDREF="_88"/>
    <chemAtoms _IDREF="_170"/>
    <chemAtoms _IDREF="_175"/>
    <chemAtoms _IDREF="_136"/>
    <chemAtoms _IDREF="_165"/>
    <chemAtoms _IDREF="_172"/>
    <chemAtoms _IDREF="_152"/>
    <chemAtoms _IDREF="_122"/>
    <chemAtoms _IDREF="_143"/>
    <chemAtoms _IDREF="_119"/>
    <chemAtoms _IDREF="_114"/>
    <chemAtoms _IDREF="_105"/>
    <chemAtoms _IDREF="_140"/>
    <chemAtoms _IDREF="_138"/>
    <chemAtoms _IDREF="_133"/>
    <chemAtoms _IDREF="_126"/>
    <chemAtoms _IDREF="_91"/>
    <chemAtoms _IDREF="_99"/>
    <chemAtoms _IDREF="_167"/>
    <chemAtoms _IDREF="_161"/>
    <chemAtoms _IDREF="_149"/>
    <chemAtoms _IDREF="_95"/>
    <chemAtoms _IDREF="_117"/>
    <chemAtoms _IDREF="_158"/>
    <chemAtoms _IDREF="_129"/>
    <chemAtoms _IDREF="_164"/>
    <chemAtoms _IDREF="_103"/>
    <chemAtoms _IDREF="_173"/>
    <chemAtoms _IDREF="_157"/>
    <chemAtoms _IDREF="_97"/>
    <chemAtoms _IDREF="_163"/>
    <chemAtoms _IDREF="_146"/>
    <chemAtoms _IDREF="_176"/>
    <chemAtoms _IDREF="_150"/>
    <chemAtoms _IDREF="_151"/>
    <chemAtoms _IDREF="_101"/>
    <chemAtoms _IDREF="_156"/>
    <chemAtoms _IDREF="_155"/>
    <chemAtoms _IDREF="_162"/>
    <chemAtoms _IDREF="_169"/>
    <chemAtoms _IDREF="_93"/>
  </ChemCompVar>
</NonStdChemComp>

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

