<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Tue Jan 23 13:24:27 2007" release="1.1.a2" 
 packageName="ccp.molecule.ChemComp" root="project" originator="CCPN Python XmlIO">
 
<parent>
  <key1 tag="molType">other</key1>
  <key2 tag="ccpCode">NIX</key2>
</parent>

<NonStdChemComp _ID="_1" molType="other" ccpCode="NIX" code3Letter="NIX" cifCode="NIX">
  <name>NALIDIXIC ACID</name>
  <commonNames>1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid</commonNames>
  <ChemAtomSet _ID="_2" subType="1" isEquivalent="false" isProchiral="true" distCorr="0.0" name="1HE*">
    <chemAtoms _IDREF="_3"/>
    <chemAtoms _IDREF="_4"/>
  </ChemAtomSet>
  <ChemAtomSet _ID="_5" subType="1" isEquivalent="true" isProchiral="false" distCorr="0.0" name="2HE*">
    <chemAtoms _IDREF="_6"/>
    <chemAtoms _IDREF="_7"/>
    <chemAtoms _IDREF="_8"/>
  </ChemAtomSet>
  <ChemAtomSet _ID="_9" subType="1" isEquivalent="true" isProchiral="false" distCorr="0.0" name="H9*">
    <chemAtoms _IDREF="_10"/>
    <chemAtoms _IDREF="_11"/>
    <chemAtoms _IDREF="_12"/>
  </ChemAtomSet>
  <ChemAtomSysName _ID="_13" atomSubType="1" namingSystem="PDB" atomName="1H2L">
    <sysName>1H2L</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_14" atomSubType="1" namingSystem="MSD" atomName="1H2L">
    <sysName>1H2L</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_15" atomSubType="1" namingSystem="PDB" atomName="1HE1">
    <sysName>1HE1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_16" atomSubType="1" namingSystem="MSD" atomName="1HE1">
    <sysName>1HE1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_17" atomSubType="1" namingSystem="PDB" atomName="1HE2">
    <sysName>1HE2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_18" atomSubType="1" namingSystem="MSD" atomName="1HE2">
    <sysName>1HE2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_19" atomSubType="1" namingSystem="PDB" atomName="2HE1">
    <sysName>2HE1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_20" atomSubType="1" namingSystem="MSD" atomName="2HE1">
    <sysName>2HE1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_21" atomSubType="1" namingSystem="PDB" atomName="2HE2">
    <sysName>2HE2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_22" atomSubType="1" namingSystem="MSD" atomName="2HE2">
    <sysName>2HE2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_23" atomSubType="1" namingSystem="PDB" atomName="2HE3">
    <sysName>2HE3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_24" atomSubType="1" namingSystem="MSD" atomName="2HE3">
    <sysName>2HE3</sysName>
  </ChemAtomSysName>
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    <sysName>C1E</sysName>
  </ChemAtomSysName>
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    <sysName>C1E</sysName>
  </ChemAtomSysName>
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    <sysName>C1L</sysName>
  </ChemAtomSysName>
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    <sysName>C1L</sysName>
  </ChemAtomSysName>
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    <sysName>C2</sysName>
  </ChemAtomSysName>
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    <sysName>C2</sysName>
  </ChemAtomSysName>
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    <sysName>C2E</sysName>
  </ChemAtomSysName>
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    <sysName>C2E</sysName>
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    <sysName>C3</sysName>
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    <sysName>C4</sysName>
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    <sysName>C4A</sysName>
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    <sysName>C5</sysName>
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    <sysName>C6</sysName>
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    <sysName>C6</sysName>
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    <sysName>C7</sysName>
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    <sysName>H2</sysName>
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    <sysName>1HE*</sysName>
  </ChemAtomSetSysName>
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    <descriptor>neutral</descriptor>
    <stereoSmiles>CCN1C=C(C(O)=O)C(=O)c2ccc(C)nc12</stereoSmiles>
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    <chemAtoms _IDREF="_122"/>
    <chemAtoms _IDREF="_10"/>
    <chemAtoms _IDREF="_11"/>
    <chemAtoms _IDREF="_12"/>
    <chemAtoms _IDREF="_121"/>
    <chemAtoms _IDREF="_74"/>
    <chemAtoms _IDREF="_85"/>
    <chemAtoms _IDREF="_6"/>
    <chemAtoms _IDREF="_7"/>
    <chemAtoms _IDREF="_8"/>
    <chemAtoms _IDREF="_120"/>
    <chemAtoms _IDREF="_124"/>
    <chemAtoms _IDREF="_82"/>
    <chemAtoms _IDREF="_119"/>
    <chemAtoms _IDREF="_118"/>
  </ChemCompVar>
</NonStdChemComp>

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

