<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Thu May 11 17:05:53 2006" release="1.0.212" 
 packageName="ccp.ChemCompCoord" root="project" originator="CCPN Python XmlIO">
 
<parent>
  <key1 tag="sourceName">cactvs</key1>
  <key2 tag="molType">other</key2>
  <key3 tag="ccpCode">NIT</key3>
</parent>

<ChemCompCoord _ID="_1" molType="other" ccpCode="NIT">
  <sourceName>cactvs</sourceName>
  <details>Generated from E-MSD database</details>
  <ChemAtomCoord _ID="_2" serial="1" subType="1" x="57.008200000000002" y="46.308600000000006" z="18.4345" name="H2">
    <chemCompVarCoords _IDREF="_3"/>
    <chemCompVarCoords _IDREF="_4"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_5" serial="2" subType="1" x="59.380600000000001" y="46.468000000000004" z="17.7912" name="H3">
    <chemCompVarCoords _IDREF="_3"/>
    <chemCompVarCoords _IDREF="_4"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_6" serial="3" subType="1" x="60.140000000000001" y="42.6158" z="19.57" name="H5">
    <chemCompVarCoords _IDREF="_3"/>
    <chemCompVarCoords _IDREF="_4"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_7" serial="4" subType="1" x="57.775300000000001" y="42.482900000000001" z="20.247400000000003" name="H6">
    <chemCompVarCoords _IDREF="_3"/>
    <chemCompVarCoords _IDREF="_4"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_8" serial="5" subType="1" x="55.5428" y="43.568600000000004" z="20.386700000000001" name="HN1_1">
    <chemCompVarCoords _IDREF="_3"/>
    <chemCompVarCoords _IDREF="_4"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_9" serial="6" subType="1" x="55.3399" y="44.439900000000002" z="19.003900000000002" name="HN1_2">
    <chemCompVarCoords _IDREF="_3"/>
    <chemCompVarCoords _IDREF="_4"/>
  </ChemAtomCoord>
  <ChemCompVarCoord _ID="_3" linking="none">
    <descriptor>neutral</descriptor>
    <chemAtomCoords _IDREF="_2"/>
    <chemAtomCoords _IDREF="_5"/>
    <chemAtomCoords _IDREF="_6"/>
    <chemAtomCoords _IDREF="_7"/>
    <chemAtomCoords _IDREF="_8"/>
    <chemAtomCoords _IDREF="_9"/>
  </ChemCompVarCoord>
  <ChemCompVarCoord _ID="_4" linking="end">
    <descriptor>neutral</descriptor>
    <chemAtomCoords _IDREF="_2"/>
    <chemAtomCoords _IDREF="_5"/>
    <chemAtomCoords _IDREF="_6"/>
    <chemAtomCoords _IDREF="_7"/>
    <chemAtomCoords _IDREF="_8"/>
    <chemAtomCoords _IDREF="_9"/>
  </ChemCompVarCoord>
</ChemCompCoord>

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

