<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Wed Aug  8 14:01:18 2007" release="1.1.a3" 
 packageName="ccp.molecule.ChemComp" root="project" originator="CCPN Python XmlIO">
 
<parent>
  <key1 tag="molType">other</key1>
  <key2 tag="ccpCode">X9Q</key2>
</parent>

<NonStdChemComp _ID="_1" molType="other" ccpCode="X9Q" cifCode="X9Q">
  <name>{(2S)-2-[(1S)-1-AMINOETHYL]-4-BENZYL-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID</name>
  <ChemAtomSysName _ID="_2" atomSubType="1" namingSystem="PDB" atomName="1HA3">
    <sysName>1HA3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_3" atomSubType="1" namingSystem="MSD" atomName="1HA3">
    <sysName>1HA3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_4" atomSubType="1" namingSystem="PDB" atomName="1HB1">
    <sysName>1HB1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_5" atomSubType="1" namingSystem="MSD" atomName="1HB1">
    <sysName>1HB1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_6" atomSubType="1" namingSystem="PDB" atomName="1HB2">
    <sysName>1HB2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_7" atomSubType="1" namingSystem="MSD" atomName="1HB2">
    <sysName>1HB2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_8" atomSubType="1" namingSystem="PDB" atomName="1HN1">
    <sysName>1HN1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_9" atomSubType="1" namingSystem="MSD" atomName="1HN1">
    <sysName>1HN1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_10" atomSubType="1" namingSystem="PDB" atomName="2HA3">
    <sysName>2HA3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_11" atomSubType="1" namingSystem="MSD" atomName="2HA3">
    <sysName>2HA3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_12" atomSubType="1" namingSystem="PDB" atomName="2HB1">
    <sysName>2HB1</sysName>
  </ChemAtomSysName>
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    <sysName>2HB1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_14" atomSubType="1" namingSystem="PDB" atomName="2HN1">
    <sysName>2HN1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_15" atomSubType="1" namingSystem="MSD" atomName="2HN1">
    <sysName>2HN1</sysName>
  </ChemAtomSysName>
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    <sysName>3HB1</sysName>
  </ChemAtomSysName>
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    <sysName>3HB1</sysName>
  </ChemAtomSysName>
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    <sysName>C1</sysName>
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    <sysName>C2</sysName>
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    <sysName>C3</sysName>
  </ChemAtomSysName>
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    <sysName>CA1</sysName>
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    <chemAtoms _IDREF="_117"/>
    <chemAtoms _IDREF="_132"/>
  </ChemBond>
  <ChemBond _ID="_122" bondType="aromatic">
    <chemAtoms _IDREF="_121"/>
    <chemAtoms _IDREF="_128"/>
  </ChemBond>
  <ChemBond _ID="_123" bondType="single">
    <chemAtoms _IDREF="_133"/>
    <chemAtoms _IDREF="_121"/>
  </ChemBond>
  <ChemBond _ID="_120" bondType="aromatic">
    <chemAtoms _IDREF="_117"/>
    <chemAtoms _IDREF="_124"/>
  </ChemBond>
  <ChemBond _ID="_125" bondType="single">
    <chemAtoms _IDREF="_134"/>
    <chemAtoms _IDREF="_124"/>
  </ChemBond>
  <ChemBond _ID="_112" bondType="single">
    <chemAtoms _IDREF="_111"/>
    <chemAtoms _IDREF="_127"/>
  </ChemBond>
  <ChemBond _ID="_126" bondType="aromatic">
    <chemAtoms _IDREF="_124"/>
    <chemAtoms _IDREF="_128"/>
  </ChemBond>
  <ChemBond _ID="_129" bondType="single">
    <chemAtoms _IDREF="_137"/>
    <chemAtoms _IDREF="_128"/>
  </ChemBond>
  <ChemBond _ID="_80" bondType="single">
    <chemAtoms _IDREF="_138"/>
    <chemAtoms _IDREF="_79"/>
  </ChemBond>
  <ChemBond _ID="_86" bondType="single">
    <chemAtoms _IDREF="_85"/>
    <chemAtoms _IDREF="_138"/>
  </ChemBond>
  <ChemBond _ID="_92" bondType="single">
    <chemAtoms _IDREF="_89"/>
    <chemAtoms _IDREF="_139"/>
  </ChemBond>
  <ChemBond _ID="_109" bondType="single">
    <chemAtoms _IDREF="_108"/>
    <chemAtoms _IDREF="_140"/>
  </ChemBond>
  <ChemBond _ID="_136" bondType="single">
    <chemAtoms _IDREF="_142"/>
    <chemAtoms _IDREF="_135"/>
  </ChemBond>
  <ChemCompVar _ID="_74" isDefaultVar="true" formalCharge="0" isParamagnetic="false" isAromatic="true" linking="none">
    <descriptor>neutral</descriptor>
    <chemAtoms _IDREF="_137"/>
    <chemAtoms _IDREF="_75"/>
    <chemAtoms _IDREF="_77"/>
    <chemAtoms _IDREF="_111"/>
    <chemAtoms _IDREF="_131"/>
    <chemAtoms _IDREF="_110"/>
    <chemAtoms _IDREF="_113"/>
    <chemAtoms _IDREF="_117"/>
    <chemAtoms _IDREF="_142"/>
    <chemAtoms _IDREF="_141"/>
    <chemAtoms _IDREF="_140"/>
    <chemAtoms _IDREF="_133"/>
    <chemAtoms _IDREF="_134"/>
    <chemAtoms _IDREF="_135"/>
    <chemAtoms _IDREF="_97"/>
    <chemAtoms _IDREF="_93"/>
    <chemAtoms _IDREF="_89"/>
    <chemAtoms _IDREF="_83"/>
    <chemAtoms _IDREF="_72"/>
    <chemAtoms _IDREF="_143"/>
    <chemAtoms _IDREF="_85"/>
    <chemAtoms _IDREF="_128"/>
    <chemAtoms _IDREF="_124"/>
    <chemAtoms _IDREF="_121"/>
    <chemAtoms _IDREF="_130"/>
    <chemAtoms _IDREF="_138"/>
    <chemAtoms _IDREF="_139"/>
    <chemAtoms _IDREF="_127"/>
    <chemAtoms _IDREF="_132"/>
    <chemAtoms _IDREF="_81"/>
    <chemAtoms _IDREF="_87"/>
    <chemAtoms _IDREF="_79"/>
    <chemAtoms _IDREF="_105"/>
    <chemAtoms _IDREF="_101"/>
    <chemAtoms _IDREF="_108"/>
  </ChemCompVar>
</NonStdChemComp>

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

