<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Thu May 11 17:13:39 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">PC</key3>
</parent>

<ChemCompCoord _ID="_1" molType="other" ccpCode="PC">
  <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="133.76500000000001" y="184.76060000000001" z="-4.2829000000000006" name="H1_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_5" serial="3" subType="1" x="132.3186" y="183.82940000000002" z="-2.6184000000000003" name="H2_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_6" serial="4" subType="1" x="131.18110000000001" y="185.16040000000001" z="-2.6960000000000002" name="H2_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_7" serial="5" subType="1" x="129.58840000000001" y="183.40900000000002" z="-5.7620000000000005" name="H3_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_8" serial="6" subType="1" x="129.97370000000001" y="185.1302" z="-5.2121000000000004" name="H3_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_9" serial="7" subType="1" x="131.2182" y="184.25830000000002" z="-5.9508000000000001" name="H3_3">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_10" serial="8" subType="1" x="128.6164" y="182.58600000000001" z="-3.9970000000000003" name="H4_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_11" serial="9" subType="1" x="129.4794" y="182.8956" z="-2.472" name="H4_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_12" serial="10" subType="1" x="128.86590000000001" y="184.24520000000001" z="-3.4045000000000001" name="H4_3">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_13" serial="11" subType="1" x="130.4624" y="181.499" z="-4.3540000000000001" name="H5_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_14" serial="12" subType="1" x="132.23869999999999" y="182.03190000000001" z="-4.2978000000000005" name="H5_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_15" serial="13" subType="1" x="131.44210000000001" y="181.88080000000002" z="-2.8254000000000001" name="H5_3">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_16" serial="14" subType="1" x="134.7115" y="187.45150000000001" z="-1.7273000000000001" name="HO3">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_17" serial="15" subType="1" x="133.3535" y="189.1815" z="-2.5952999999999999" name="HO4">
    <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"/>
  </ChemCompVarCoord>
</ChemCompCoord>

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

