<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Thu May 11 16:16:26 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">EMD</key3>
</parent>

<ChemCompCoord _ID="_1" molType="other" ccpCode="EMD">
  <sourceName>cactvs</sourceName>
  <details>Generated from E-MSD database</details>
  <ChemAtomCoord _ID="_2" serial="1" subType="1" x="57.7072" y="5.5434000000000001" z="-1.4131" name="H12">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_4" serial="2" subType="1" x="59.357700000000001" y="3.7147000000000001" z="-0.96820000000000006" name="H13">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_5" serial="3" subType="1" x="55.7879" y="8.7790999999999997" z="1.3827" name="H15_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_6" serial="4" subType="1" x="54.563600000000001" y="7.6249000000000002" z="1.7188000000000001" name="H15_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_7" serial="5" subType="1" x="57.261000000000003" y="7.9822000000000006" z="3.0832000000000002" name="H16_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_8" serial="6" subType="1" x="55.723500000000001" y="7.8340000000000005" z="3.7943000000000002" name="H16_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_9" serial="7" subType="1" x="55.620600000000003" y="5.3370000000000006" z="3.3785000000000003" name="H17_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_10" serial="8" subType="1" x="57.077400000000004" y="5.6949000000000005" z="4.157" name="H17_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_11" serial="9" subType="1" x="55.873600000000003" y="9.4095000000000013" z="-2.3539000000000003" name="H20">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_12" serial="10" subType="1" x="51.569000000000003" y="9.3372000000000011" z="0.1852" name="H23">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_13" serial="11" subType="1" x="53.112200000000001" y="7.3747000000000007" z="0.29780000000000001" name="H24">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_14" serial="12" subType="1" x="56.094700000000003" y="12.7325" z="-3.6891000000000003" name="H25_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_15" serial="13" subType="1" x="56.419499999999999" y="11.890700000000001" z="-2.1417999999999999" name="H25_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_16" serial="14" subType="1" x="56.160200000000003" y="10.9457" z="-3.5825" name="H25_3">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_17" serial="15" subType="1" x="50.323700000000002" y="12.721200000000001" z="-0.1255" name="H26_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_18" serial="16" subType="1" x="50.443100000000001" y="10.9475" z="0.099600000000000008" name="H26_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_19" serial="17" subType="1" x="51.647600000000004" y="11.975800000000001" z="0.8246" name="H26_3">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_20" serial="18" subType="1" x="63.3245" y="2.4004000000000003" z="1.2314000000000001" name="H3">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_21" serial="19" subType="1" x="58.865000000000002" y="1.6709000000000001" z="2.9876" name="H6">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_22" serial="20" subType="1" x="58.286799999999999" y="0.66020000000000001" z="0.72560000000000002" name="H7_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_23" serial="21" subType="1" x="59.902700000000003" y="-0.25730000000000003" z="0.7198" name="H7_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_24" serial="22" subType="1" x="58.781400000000005" y="-0.70600000000000007" z="1.8841000000000001" name="H7_3">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_25" serial="23" subType="1" x="58.438600000000001" y="3.8912" z="3.2649000000000004" name="H9">
    <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"/>
    <chemAtomCoords _IDREF="_17"/>
    <chemAtomCoords _IDREF="_18"/>
    <chemAtomCoords _IDREF="_19"/>
    <chemAtomCoords _IDREF="_20"/>
    <chemAtomCoords _IDREF="_21"/>
    <chemAtomCoords _IDREF="_22"/>
    <chemAtomCoords _IDREF="_23"/>
    <chemAtomCoords _IDREF="_24"/>
    <chemAtomCoords _IDREF="_25"/>
  </ChemCompVarCoord>
</ChemCompCoord>

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

