<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Wed Aug  8 14:04:12 2007" release="1.1.a3" 
 packageName="ccp.molecule.ChemComp" root="project" originator="CCPN Python XmlIO">
 
<parent>
  <key1 tag="molType">other</key1>
  <key2 tag="ccpCode">XAP</key2>
</parent>

<NonStdChemComp _ID="_1" molType="other" ccpCode="XAP" cifCode="XAP">
  <name>3-AMINOOXY-1-AMINOPROPANE</name>
  <ChemAtomSysName _ID="_2" atomSubType="1" namingSystem="PDB" atomName="1H1">
    <sysName>1H1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_3" atomSubType="1" namingSystem="MSD" atomName="1H1">
    <sysName>1H1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_4" atomSubType="1" namingSystem="PDB" atomName="1H2">
    <sysName>1H2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_5" atomSubType="1" namingSystem="MSD" atomName="1H2">
    <sysName>1H2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_6" atomSubType="1" namingSystem="PDB" atomName="1H3">
    <sysName>1H3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_7" atomSubType="1" namingSystem="MSD" atomName="1H3">
    <sysName>1H3</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="1HN2">
    <sysName>1HN2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_11" atomSubType="1" namingSystem="MSD" atomName="1HN2">
    <sysName>1HN2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_12" atomSubType="1" namingSystem="PDB" atomName="2H1">
    <sysName>2H1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_13" atomSubType="1" namingSystem="MSD" atomName="2H1">
    <sysName>2H1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_14" atomSubType="1" namingSystem="PDB" atomName="2H2">
    <sysName>2H2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_15" atomSubType="1" namingSystem="MSD" atomName="2H2">
    <sysName>2H2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_16" atomSubType="1" namingSystem="PDB" atomName="2H3">
    <sysName>2H3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_17" atomSubType="1" namingSystem="MSD" atomName="2H3">
    <sysName>2H3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_18" atomSubType="1" namingSystem="PDB" atomName="2HN1">
    <sysName>2HN1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_19" atomSubType="1" namingSystem="MSD" atomName="2HN1">
    <sysName>2HN1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_20" atomSubType="1" namingSystem="PDB" atomName="2HN2">
    <sysName>2HN2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_21" atomSubType="1" namingSystem="MSD" atomName="2HN2">
    <sysName>2HN2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_22" atomSubType="1" namingSystem="PDB" atomName="C1">
    <sysName>C1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_23" atomSubType="1" namingSystem="MSD" atomName="C1">
    <sysName>C1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_24" atomSubType="1" namingSystem="PDB" atomName="C2">
    <sysName>C2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_25" atomSubType="1" namingSystem="MSD" atomName="C2">
    <sysName>C2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_26" atomSubType="1" namingSystem="PDB" atomName="C3">
    <sysName>C3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_27" atomSubType="1" namingSystem="MSD" atomName="C3">
    <sysName>C3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_28" atomSubType="1" namingSystem="PDB" atomName="N1">
    <sysName>N1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_29" atomSubType="1" namingSystem="MSD" atomName="N1">
    <sysName>N1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_30" atomSubType="1" namingSystem="PDB" atomName="N2">
    <sysName>N2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_31" atomSubType="1" namingSystem="MSD" atomName="N2">
    <sysName>N2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_32" atomSubType="1" namingSystem="PDB" atomName="O1">
    <sysName>O1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_33" atomSubType="1" namingSystem="MSD" atomName="O1">
    <sysName>O1</sysName>
  </ChemAtomSysName>
  <ChemAtom _ID="_34" waterExchangeable="false" subType="1" elementSymbol="H" name="1H1">
    <chemBonds _IDREF="_35"/>
    <chemCompVars _IDREF="_36"/>
  </ChemAtom>
  <ChemAtom _ID="_37" waterExchangeable="false" subType="1" elementSymbol="H" name="1H2">
    <chemBonds _IDREF="_38"/>
    <chemCompVars _IDREF="_36"/>
  </ChemAtom>
  <ChemAtom _ID="_39" waterExchangeable="false" subType="1" elementSymbol="H" name="1H3">
    <chemBonds _IDREF="_40"/>
    <chemCompVars _IDREF="_36"/>
  </ChemAtom>
  <ChemAtom _ID="_41" waterExchangeable="false" subType="1" elementSymbol="H" name="1HN1">
    <chemBonds _IDREF="_42"/>
    <chemCompVars _IDREF="_36"/>
  </ChemAtom>
  <ChemAtom _ID="_43" waterExchangeable="false" subType="1" elementSymbol="H" name="1HN2">
    <chemBonds _IDREF="_44"/>
    <chemCompVars _IDREF="_36"/>
  </ChemAtom>
  <ChemAtom _ID="_45" waterExchangeable="false" subType="1" elementSymbol="H" name="2H1">
    <chemBonds _IDREF="_46"/>
    <chemCompVars _IDREF="_36"/>
  </ChemAtom>
  <ChemAtom _ID="_47" waterExchangeable="false" subType="1" elementSymbol="H" name="2H2">
    <chemBonds _IDREF="_48"/>
    <chemCompVars _IDREF="_36"/>
  </ChemAtom>
  <ChemAtom _ID="_49" waterExchangeable="false" subType="1" elementSymbol="H" name="2H3">
    <chemBonds _IDREF="_50"/>
    <chemCompVars _IDREF="_36"/>
  </ChemAtom>
  <ChemAtom _ID="_51" waterExchangeable="false" subType="1" elementSymbol="H" name="2HN1">
    <chemBonds _IDREF="_52"/>
    <chemCompVars _IDREF="_36"/>
  </ChemAtom>
  <ChemAtom _ID="_53" waterExchangeable="false" subType="1" elementSymbol="H" name="2HN2">
    <chemBonds _IDREF="_54"/>
    <chemCompVars _IDREF="_36"/>
  </ChemAtom>
  <ChemAtom _ID="_55" waterExchangeable="false" subType="1" elementSymbol="C" name="C1">
    <chemBonds _IDREF="_35"/>
    <chemBonds _IDREF="_46"/>
    <chemBonds _IDREF="_56"/>
    <chemBonds _IDREF="_57"/>
    <chemCompVars _IDREF="_36"/>
  </ChemAtom>
  <ChemAtom _ID="_58" waterExchangeable="false" subType="1" elementSymbol="C" name="C2">
    <chemBonds _IDREF="_56"/>
    <chemBonds _IDREF="_38"/>
    <chemBonds _IDREF="_48"/>
    <chemBonds _IDREF="_59"/>
    <chemCompVars _IDREF="_36"/>
  </ChemAtom>
  <ChemAtom _ID="_60" waterExchangeable="false" subType="1" elementSymbol="C" name="C3">
    <chemBonds _IDREF="_59"/>
    <chemBonds _IDREF="_40"/>
    <chemBonds _IDREF="_50"/>
    <chemBonds _IDREF="_61"/>
    <chemCompVars _IDREF="_36"/>
  </ChemAtom>
  <ChemAtom _ID="_62" waterExchangeable="false" subType="1" elementSymbol="N" name="N1">
    <chemBonds _IDREF="_42"/>
    <chemBonds _IDREF="_52"/>
    <chemBonds _IDREF="_57"/>
    <chemCompVars _IDREF="_36"/>
  </ChemAtom>
  <ChemAtom _ID="_63" waterExchangeable="false" subType="1" elementSymbol="N" name="N2">
    <chemBonds _IDREF="_44"/>
    <chemBonds _IDREF="_54"/>
    <chemBonds _IDREF="_64"/>
    <chemCompVars _IDREF="_36"/>
  </ChemAtom>
  <ChemAtom _ID="_65" waterExchangeable="false" subType="1" elementSymbol="O" name="O1">
    <chemBonds _IDREF="_61"/>
    <chemBonds _IDREF="_64"/>
    <chemCompVars _IDREF="_36"/>
  </ChemAtom>
  <ChemBond _ID="_35" bondType="single">
    <chemAtoms _IDREF="_34"/>
    <chemAtoms _IDREF="_55"/>
  </ChemBond>
  <ChemBond _ID="_46" bondType="single">
    <chemAtoms _IDREF="_55"/>
    <chemAtoms _IDREF="_45"/>
  </ChemBond>
  <ChemBond _ID="_56" bondType="single">
    <chemAtoms _IDREF="_58"/>
    <chemAtoms _IDREF="_55"/>
  </ChemBond>
  <ChemBond _ID="_38" bondType="single">
    <chemAtoms _IDREF="_37"/>
    <chemAtoms _IDREF="_58"/>
  </ChemBond>
  <ChemBond _ID="_48" bondType="single">
    <chemAtoms _IDREF="_58"/>
    <chemAtoms _IDREF="_47"/>
  </ChemBond>
  <ChemBond _ID="_59" bondType="single">
    <chemAtoms _IDREF="_58"/>
    <chemAtoms _IDREF="_60"/>
  </ChemBond>
  <ChemBond _ID="_40" bondType="single">
    <chemAtoms _IDREF="_39"/>
    <chemAtoms _IDREF="_60"/>
  </ChemBond>
  <ChemBond _ID="_50" bondType="single">
    <chemAtoms _IDREF="_60"/>
    <chemAtoms _IDREF="_49"/>
  </ChemBond>
  <ChemBond _ID="_61" bondType="single">
    <chemAtoms _IDREF="_60"/>
    <chemAtoms _IDREF="_65"/>
  </ChemBond>
  <ChemBond _ID="_42" bondType="single">
    <chemAtoms _IDREF="_62"/>
    <chemAtoms _IDREF="_41"/>
  </ChemBond>
  <ChemBond _ID="_52" bondType="single">
    <chemAtoms _IDREF="_62"/>
    <chemAtoms _IDREF="_51"/>
  </ChemBond>
  <ChemBond _ID="_57" bondType="single">
    <chemAtoms _IDREF="_55"/>
    <chemAtoms _IDREF="_62"/>
  </ChemBond>
  <ChemBond _ID="_44" bondType="single">
    <chemAtoms _IDREF="_63"/>
    <chemAtoms _IDREF="_43"/>
  </ChemBond>
  <ChemBond _ID="_54" bondType="single">
    <chemAtoms _IDREF="_53"/>
    <chemAtoms _IDREF="_63"/>
  </ChemBond>
  <ChemBond _ID="_64" bondType="single">
    <chemAtoms _IDREF="_65"/>
    <chemAtoms _IDREF="_63"/>
  </ChemBond>
  <ChemCompVar _ID="_36" isDefaultVar="true" formalCharge="0" isParamagnetic="false" isAromatic="false" linking="none">
    <descriptor>neutral</descriptor>
    <stereoSmiles>NCCCON</stereoSmiles>
    <chemAtoms _IDREF="_37"/>
    <chemAtoms _IDREF="_39"/>
    <chemAtoms _IDREF="_34"/>
    <chemAtoms _IDREF="_47"/>
    <chemAtoms _IDREF="_45"/>
    <chemAtoms _IDREF="_51"/>
    <chemAtoms _IDREF="_49"/>
    <chemAtoms _IDREF="_43"/>
    <chemAtoms _IDREF="_63"/>
    <chemAtoms _IDREF="_41"/>
    <chemAtoms _IDREF="_62"/>
    <chemAtoms _IDREF="_60"/>
    <chemAtoms _IDREF="_58"/>
    <chemAtoms _IDREF="_55"/>
    <chemAtoms _IDREF="_53"/>
    <chemAtoms _IDREF="_65"/>
  </ChemCompVar>
</NonStdChemComp>

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

