<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Thu May 11 16:04:35 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">DBU</key3>
</parent>

<ChemCompCoord _ID="_1" molType="other" ccpCode="DBU">
  <sourceName>cactvs</sourceName>
  <details>Generated from E-MSD database</details>
  <ChemAtomCoord _ID="_2" serial="1" subType="1" x="-0.14949999999999999" y="21.122500000000002" z="6.9932000000000007" name="H1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_4" serial="2" subType="1" x="0.00020000000000000001" y="25.205300000000001" z="6.2468000000000004" name="HB_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_5" serial="3" subType="1" x="2.4339" y="24.8565" z="5.194" name="HG_1">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_6" serial="4" subType="1" x="2.4958" y="23.4681" z="6.3611000000000004" name="HG_2">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_7" serial="5" subType="1" x="1.7883" y="23.203600000000002" z="4.8134000000000006" name="HG_3">
    <chemCompVarCoords _IDREF="_3"/>
  </ChemAtomCoord>
  <ChemAtomCoord _ID="_8" serial="6" subType="1" x="-0.86950000000000005" y="0.14050000000000001" z="0.35600000000000004" name="HXT">
    <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"/>
  </ChemCompVarCoord>
</ChemCompCoord>

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