<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Thu May 11 15:13:20 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">3GP</key3>
</parent>

<ChemCompCoord _ID="_1" molType="other" ccpCode="3GP">
  <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="45.941900000000004" y="30.6128" z="0.50260000000000005" name="H2'">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_5" serial="3" subType="1" x="47.691700000000004" y="31.098700000000001" z="-1.3593000000000002" name="H3'">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_6" serial="4" subType="1" x="46.357600000000005" y="33.814" z="-1.8640000000000001" name="H4'">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_7" serial="5" subType="1" x="47.339800000000004" y="33.477600000000002" z="-3.9195000000000002" name="H5'_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_8" serial="6" subType="1" x="46.587600000000002" y="31.996600000000001" z="-4.1399999999999997" name="H5'_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_9" serial="7" subType="1" x="42.402700000000003" y="30.374300000000002" z="0.2233" name="H8">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_10" serial="8" subType="1" x="46.320700000000002" y="25.964600000000001" z="-2.4317000000000002" name="HN1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_11" serial="9" subType="1" x="48.2577" y="28.6342" z="-3.3318000000000003" name="HN2_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_12" serial="10" subType="1" x="47.517500000000005" y="27.293700000000001" z="-3.9831000000000003" name="HN2_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_13" serial="11" subType="1" x="45.321400000000004" y="32.3628" z="1.5939000000000001" name="HO2_'">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_14" serial="12" subType="1" x="48.897600000000004" y="31.728000000000002" z="-3.8488000000000002" name="HO5_'">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_15" serial="13" subType="1" x="48.787400000000005" y="34.956900000000005" z="1.107" name="HOP_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_16" serial="14" subType="1" x="50.540400000000005" y="33.6999" z="-0.188" name="HOP_3">
    <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-->

