<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Thu May 11 16:16:13 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">EJT</key3>
</parent>

<ChemCompCoord _ID="_1" molType="other" ccpCode="EJT">
  <sourceName>cactvs</sourceName>
  <details>Generated from E-MSD database</details>
  <ChemAtomCoord _ID="_2" serial="1" subType="1" x="14.197900000000001" y="55.469999999999999" z="64.224400000000003" name="HC1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_4" serial="2" subType="1" x="15.5022" y="56.020200000000003" z="62.153300000000002" name="HC2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_5" serial="3" subType="1" x="13.603200000000001" y="56.797700000000006" z="60.761800000000001" name="HC3">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_6" serial="4" subType="1" x="12.766300000000001" y="53.8232" z="60.742800000000003" name="HC4">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_7" serial="5" subType="1" x="11.424100000000001" y="56.327300000000001" z="61.920300000000005" name="HC5">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_8" serial="6" subType="1" x="9.786900000000001" y="54.7089" z="62.890300000000003" name="HC6_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_9" serial="7" subType="1" x="9.7596000000000007" y="54.629000000000005" z="61.200600000000001" name="HC6_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_10" serial="8" subType="1" x="9.1400000000000006" y="58.604100000000003" z="72.268100000000004" name="HCB_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_11" serial="9" subType="1" x="10.3286" y="57.906100000000002" z="73.223500000000001" name="HCB_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_12" serial="10" subType="1" x="9.5859000000000005" y="58.524900000000002" z="69.602900000000005" name="HCD1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_13" serial="11" subType="1" x="12.7155" y="58.170300000000005" z="72.549900000000008" name="HCD2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_14" serial="12" subType="1" x="11.892000000000001" y="59.194800000000001" z="63.140800000000006" name="HCD_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_15" serial="13" subType="1" x="13.168800000000001" y="59.536500000000004" z="64.197400000000002" name="HCD_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_16" serial="14" subType="1" x="11.587200000000001" y="56.854700000000001" z="64.341099999999997" name="HCE_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_17" serial="15" subType="1" x="12.926200000000001" y="57.1999" z="65.300600000000003" name="HCE_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_18" serial="16" subType="1" x="10.2783" y="58.8583" z="65.082999999999998" name="HCG_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_19" serial="17" subType="1" x="10.9275" y="60.425900000000006" z="65.019000000000005" name="HCG_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_20" serial="18" subType="1" x="14.7423" y="55.263100000000001" z="76.020899999999997" name="HCX1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_21" serial="19" subType="1" x="15.195200000000002" y="55.856500000000004" z="78.393200000000007" name="HCX2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_22" serial="20" subType="1" x="17.528700000000001" y="56.655100000000004" z="78.083300000000008" name="HCX3">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_23" serial="21" subType="1" x="18.236000000000001" y="53.668500000000002" z="77.703900000000004" name="HCX4">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_24" serial="22" subType="1" x="18.358599999999999" y="56.023600000000002" z="75.754300000000001" name="HCX5">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_25" serial="23" subType="1" x="13.6867" y="59.0794" z="68.430999999999997" name="HCZ">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_26" serial="24" subType="1" x="12.760100000000001" y="59.289000000000001" z="66.79010000000001" name="HN">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_27" serial="25" subType="1" x="14.109400000000001" y="58.419200000000004" z="72.866200000000006" name="HNX">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_28" serial="26" subType="1" x="15.4542" y="53.834400000000002" z="61.427600000000005" name="HO2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_29" serial="27" subType="1" x="14.1912" y="55.548400000000001" z="58.890500000000003" name="HO3">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_30" serial="28" subType="1" x="10.991300000000001" y="54.739699999999999" z="59.552900000000001" name="HO4">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_31" serial="29" subType="1" x="9.9898000000000007" y="52.493100000000005" z="62.1449" name="HO6">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_32" serial="30" subType="1" x="15.760100000000001" y="53.692900000000002" z="78.991100000000003" name="HOX2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_33" serial="31" subType="1" x="18.390000000000001" y="55.497400000000006" z="79.915700000000001" name="HOX3">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_34" serial="32" subType="1" x="20.288500000000003" y="54.666400000000003" z="77.297700000000006" name="HOX4">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_35" serial="33" subType="1" x="19.0044" y="52.166499999999999" z="74.582000000000008" name="HOX6">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_36" serial="34" subType="1" x="19.080100000000002" y="54.448399999999999" z="74.070599999999999" name="HX6_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_37" serial="35" subType="1" x="20.040300000000002" y="54.092000000000006" z="75.414700000000011" name="HX6_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_38" serial="36" subType="1" x="17.268599999999999" y="58.828700000000005" z="74.88600000000001" name="HXD_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_39" serial="37" subType="1" x="15.645900000000001" y="59.282299999999999" z="74.992000000000004" name="HXD_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_40" serial="38" subType="1" x="16.457100000000001" y="56.431400000000004" z="74.030299999999997" name="HXE_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_41" serial="39" subType="1" x="14.868" y="56.915700000000001" z="74.349000000000004" name="HXE_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_42" serial="40" subType="1" x="17.0305" y="58.221500000000006" z="72.410300000000007" name="HXG_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_43" serial="41" subType="1" x="16.666" y="59.855800000000002" z="72.7149" name="HXG_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"/>
    <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"/>
    <chemAtomCoords _IDREF="_26"/>
    <chemAtomCoords _IDREF="_27"/>
    <chemAtomCoords _IDREF="_28"/>
    <chemAtomCoords _IDREF="_29"/>
    <chemAtomCoords _IDREF="_30"/>
    <chemAtomCoords _IDREF="_31"/>
    <chemAtomCoords _IDREF="_32"/>
    <chemAtomCoords _IDREF="_33"/>
    <chemAtomCoords _IDREF="_34"/>
    <chemAtomCoords _IDREF="_35"/>
    <chemAtomCoords _IDREF="_36"/>
    <chemAtomCoords _IDREF="_37"/>
    <chemAtomCoords _IDREF="_38"/>
    <chemAtomCoords _IDREF="_39"/>
    <chemAtomCoords _IDREF="_40"/>
    <chemAtomCoords _IDREF="_41"/>
    <chemAtomCoords _IDREF="_42"/>
    <chemAtomCoords _IDREF="_43"/>
  </ChemCompVarCoord>
</ChemCompCoord>

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

