<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Tue Jan 23 13:24:10 2007" release="1.1.a2" 
 packageName="ccp.molecule.ChemComp" root="project" originator="CCPN Python XmlIO">
 
<parent>
  <key1 tag="molType">other</key1>
  <key2 tag="ccpCode">D2P</key2>
</parent>

<NonStdChemComp _ID="_1" molType="other" ccpCode="D2P" code3Letter="D2P" cifCode="D2P">
  <name>(2S)-2,3-dichloropropan-1-ol</name>
  <commonNames>(2S)-2,3-dichloropropan-1-ol</commonNames>
  <ChemAtomSysName _ID="_2" atomSubType="1" namingSystem="PDB" atomName="1H2C">
    <sysName>1H2C</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_3" atomSubType="1" namingSystem="MSD" atomName="1H2C">
    <sysName>1H2C</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_4" atomSubType="1" namingSystem="PDB" atomName="1H4C">
    <sysName>1H4C</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_5" atomSubType="1" namingSystem="MSD" atomName="1H4C">
    <sysName>1H4C</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_6" atomSubType="1" namingSystem="PDB" atomName="2H2C">
    <sysName>2H2C</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_7" atomSubType="1" namingSystem="MSD" atomName="2H2C">
    <sysName>2H2C</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_8" atomSubType="1" namingSystem="PDB" atomName="2H4C">
    <sysName>2H4C</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_9" atomSubType="1" namingSystem="MSD" atomName="2H4C">
    <sysName>2H4C</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_10" atomSubType="1" namingSystem="PDB" atomName="C2">
    <sysName>C2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_11" atomSubType="1" namingSystem="MSD" atomName="C2">
    <sysName>C2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_12" atomSubType="1" namingSystem="PDB" atomName="C3">
    <sysName>C3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_13" atomSubType="1" namingSystem="MSD" atomName="C3">
    <sysName>C3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_14" atomSubType="1" namingSystem="PDB" atomName="C4">
    <sysName>C4</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_15" atomSubType="1" namingSystem="MSD" atomName="C4">
    <sysName>C4</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_16" atomSubType="1" namingSystem="PDB" atomName="CL1">
    <sysName>CL1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_17" atomSubType="1" namingSystem="MSD" atomName="CL1">
    <sysName>CL1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_18" atomSubType="1" namingSystem="PDB" atomName="CL5">
    <sysName>CL5</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_19" atomSubType="1" namingSystem="MSD" atomName="CL5">
    <sysName>CL5</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_20" atomSubType="1" namingSystem="PDB" atomName="H1">
    <sysName>H1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_21" atomSubType="1" namingSystem="MSD" atomName="H1">
    <sysName>H1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_22" atomSubType="1" namingSystem="PDB" atomName="H3">
    <sysName>H3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_23" atomSubType="1" namingSystem="MSD" atomName="H3">
    <sysName>H3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_24" atomSubType="1" namingSystem="PDB" atomName="O1">
    <sysName>O1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_25" atomSubType="1" namingSystem="MSD" atomName="O1">
    <sysName>O1</sysName>
  </ChemAtomSysName>
  <ChemAtom _ID="_26" waterExchangeable="false" subType="1" elementSymbol="H" name="1H2C">
    <chemBonds _IDREF="_27"/>
    <chemCompVars _IDREF="_28"/>
  </ChemAtom>
  <ChemAtom _ID="_29" waterExchangeable="false" subType="1" elementSymbol="H" name="1H4C">
    <chemBonds _IDREF="_30"/>
    <chemCompVars _IDREF="_28"/>
  </ChemAtom>
  <ChemAtom _ID="_31" waterExchangeable="false" subType="1" elementSymbol="H" name="2H2C">
    <chemBonds _IDREF="_32"/>
    <chemCompVars _IDREF="_28"/>
  </ChemAtom>
  <ChemAtom _ID="_33" waterExchangeable="false" subType="1" elementSymbol="H" name="2H4C">
    <chemBonds _IDREF="_34"/>
    <chemCompVars _IDREF="_28"/>
  </ChemAtom>
  <ChemAtom _ID="_35" waterExchangeable="false" subType="1" elementSymbol="C" name="C2">
    <chemBonds _IDREF="_27"/>
    <chemBonds _IDREF="_32"/>
    <chemBonds _IDREF="_36"/>
    <chemBonds _IDREF="_37"/>
    <chemCompVars _IDREF="_28"/>
  </ChemAtom>
  <ChemAtom _ID="_38" waterExchangeable="false" subType="1" chirality="S" elementSymbol="C" name="C3">
    <chemBonds _IDREF="_36"/>
    <chemBonds _IDREF="_39"/>
    <chemBonds _IDREF="_40"/>
    <chemBonds _IDREF="_41"/>
    <chemCompVars _IDREF="_28"/>
  </ChemAtom>
  <ChemAtom _ID="_42" waterExchangeable="false" subType="1" elementSymbol="C" name="C4">
    <chemBonds _IDREF="_39"/>
    <chemBonds _IDREF="_30"/>
    <chemBonds _IDREF="_34"/>
    <chemBonds _IDREF="_43"/>
    <chemCompVars _IDREF="_28"/>
  </ChemAtom>
  <ChemAtom _ID="_44" waterExchangeable="false" subType="1" elementSymbol="Cl" name="CL1">
    <chemBonds _IDREF="_40"/>
    <chemCompVars _IDREF="_28"/>
  </ChemAtom>
  <ChemAtom _ID="_45" waterExchangeable="false" subType="1" elementSymbol="Cl" name="CL5">
    <chemBonds _IDREF="_43"/>
    <chemCompVars _IDREF="_28"/>
  </ChemAtom>
  <ChemAtom _ID="_46" waterExchangeable="false" subType="1" elementSymbol="H" name="H1">
    <chemBonds _IDREF="_47"/>
    <chemCompVars _IDREF="_28"/>
  </ChemAtom>
  <ChemAtom _ID="_48" waterExchangeable="false" subType="1" elementSymbol="H" name="H3">
    <chemBonds _IDREF="_41"/>
    <chemCompVars _IDREF="_28"/>
  </ChemAtom>
  <ChemAtom _ID="_49" waterExchangeable="false" subType="1" elementSymbol="O" name="O1">
    <chemBonds _IDREF="_37"/>
    <chemBonds _IDREF="_47"/>
    <chemCompVars _IDREF="_28"/>
  </ChemAtom>
  <ChemBond _ID="_27" bondType="single">
    <chemAtoms _IDREF="_26"/>
    <chemAtoms _IDREF="_35"/>
  </ChemBond>
  <ChemBond _ID="_32" bondType="single">
    <chemAtoms _IDREF="_31"/>
    <chemAtoms _IDREF="_35"/>
  </ChemBond>
  <ChemBond _ID="_36" bondType="single">
    <chemAtoms _IDREF="_35"/>
    <chemAtoms _IDREF="_38"/>
  </ChemBond>
  <ChemBond _ID="_39" bondType="single">
    <chemAtoms _IDREF="_42"/>
    <chemAtoms _IDREF="_38"/>
  </ChemBond>
  <ChemBond _ID="_40" bondType="single">
    <chemAtoms _IDREF="_38"/>
    <chemAtoms _IDREF="_44"/>
  </ChemBond>
  <ChemBond _ID="_41" bondType="single">
    <chemAtoms _IDREF="_48"/>
    <chemAtoms _IDREF="_38"/>
  </ChemBond>
  <ChemBond _ID="_30" bondType="single">
    <chemAtoms _IDREF="_29"/>
    <chemAtoms _IDREF="_42"/>
  </ChemBond>
  <ChemBond _ID="_34" bondType="single">
    <chemAtoms _IDREF="_33"/>
    <chemAtoms _IDREF="_42"/>
  </ChemBond>
  <ChemBond _ID="_43" bondType="single">
    <chemAtoms _IDREF="_42"/>
    <chemAtoms _IDREF="_45"/>
  </ChemBond>
  <ChemBond _ID="_37" bondType="single">
    <chemAtoms _IDREF="_35"/>
    <chemAtoms _IDREF="_49"/>
  </ChemBond>
  <ChemBond _ID="_47" bondType="single">
    <chemAtoms _IDREF="_49"/>
    <chemAtoms _IDREF="_46"/>
  </ChemBond>
  <ChemCompVar _ID="_28" isDefaultVar="true" formalCharge="0" isParamagnetic="false" isAromatic="false" linking="none">
    <descriptor>neutral</descriptor>
    <stereoSmiles>OC[C@H](Cl)CCl</stereoSmiles>
    <chemAtoms _IDREF="_29"/>
    <chemAtoms _IDREF="_48"/>
    <chemAtoms _IDREF="_46"/>
    <chemAtoms _IDREF="_33"/>
    <chemAtoms _IDREF="_26"/>
    <chemAtoms _IDREF="_45"/>
    <chemAtoms _IDREF="_38"/>
    <chemAtoms _IDREF="_35"/>
    <chemAtoms _IDREF="_42"/>
    <chemAtoms _IDREF="_44"/>
    <chemAtoms _IDREF="_49"/>
    <chemAtoms _IDREF="_31"/>
  </ChemCompVar>
</NonStdChemComp>

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

