<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Thu May 11 17:03:54 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">NCT</key3>
</parent>

<ChemCompCoord _ID="_1" molType="other" ccpCode="NCT">
  <sourceName>cactvs</sourceName>
  <details>Generated from E-MSD database</details>
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    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_4" serial="2" subType="1" x="18.351300000000002" y="11.6576" z="43.183" name="H10_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_5" serial="3" subType="1" x="18.564800000000002" y="11.6601" z="41.485199999999999" name="H10_3">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_6" serial="4" subType="1" x="14.149900000000001" y="11.3751" z="41.395099999999999" name="HC1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_7" serial="5" subType="1" x="17.7394" y="13.059700000000001" z="39.724299999999999" name="HC3">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_8" serial="6" subType="1" x="17.195800000000002" y="11.935" z="37.565300000000001" name="HC4">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_9" serial="7" subType="1" x="15.059800000000001" y="10.6127" z="37.409199999999998" name="HC5">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_10" serial="8" subType="1" x="16.011600000000001" y="12.150400000000001" z="42.791699999999999" name="HC6">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_11" serial="9" subType="1" x="15.2537" y="14.7811" z="41.259700000000002" name="HC7_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_12" serial="10" subType="1" x="14.403300000000002" y="14.104100000000001" z="42.517800000000001" name="HC7_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_13" serial="11" subType="1" x="16.3736" y="16.168300000000002" z="42.943899999999999" name="HC8_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_14" serial="12" subType="1" x="15.769400000000001" y="15.257100000000001" z="44.196800000000003" name="HC8_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_15" serial="13" subType="1" x="17.814800000000002" y="13.886600000000001" z="44.333000000000006" name="HC9_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_16" serial="14" subType="1" x="18.522300000000001" y="15.028700000000001" z="43.350100000000005" name="HC9_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemCompVarCoord _ID="_3" linking="none">
    <descriptor>neutral</descriptor>
    <chemAtomCoords _IDREF="_2"/>
    <chemAtomCoords _IDREF="_4"/>
    <chemAtomCoords _IDREF="_5"/>
    <chemAtomCoords _IDREF="_6"/>
    <chemAtomCoords _IDREF="_7"/>
    <chemAtomCoords _IDREF="_8"/>
    <chemAtomCoords _IDREF="_9"/>
    <chemAtomCoords _IDREF="_10"/>
    <chemAtomCoords _IDREF="_11"/>
    <chemAtomCoords _IDREF="_12"/>
    <chemAtomCoords _IDREF="_13"/>
    <chemAtomCoords _IDREF="_14"/>
    <chemAtomCoords _IDREF="_15"/>
    <chemAtomCoords _IDREF="_16"/>
  </ChemCompVarCoord>
</ChemCompCoord>

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

