<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Thu Jan 25 14:38:13 2007" release="1.1.a2" 
 packageName="ccp.molecule.ChemComp" root="project" originator="CCPN Python XmlIO">
 
<parent>
  <key1 tag="molType">other</key1>
  <key2 tag="ccpCode">EKE</key2>
</parent>

<NonStdChemComp _ID="_1" molType="other" ccpCode="EKE" cifCode="EKE">
  <name>(4S,5R)-4-AMINO-5-HYDROXYHEXANOIC ACID</name>
  <ChemAtomSysName _ID="_2" atomSubType="1" namingSystem="PDB" atomName="1HB">
    <sysName>1HB</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_3" atomSubType="1" namingSystem="MSD" atomName="1HB">
    <sysName>1HB</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_4" atomSubType="1" namingSystem="PDB" atomName="1HG">
    <sysName>1HG</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_5" atomSubType="1" namingSystem="MSD" atomName="1HG">
    <sysName>1HG</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_6" atomSubType="1" namingSystem="PDB" atomName="1HMK">
    <sysName>1HMK</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_7" atomSubType="1" namingSystem="MSD" atomName="1HMK">
    <sysName>1HMK</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_8" atomSubType="1" namingSystem="PDB" atomName="1HN">
    <sysName>1HN</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_9" atomSubType="1" namingSystem="MSD" atomName="1HN">
    <sysName>1HN</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_10" atomSubType="1" namingSystem="PDB" atomName="2HB">
    <sysName>2HB</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_11" atomSubType="1" namingSystem="MSD" atomName="2HB">
    <sysName>2HB</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_12" atomSubType="1" namingSystem="PDB" atomName="2HG">
    <sysName>2HG</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_13" atomSubType="1" namingSystem="MSD" atomName="2HG">
    <sysName>2HG</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_14" atomSubType="1" namingSystem="PDB" atomName="2HMK">
    <sysName>2HMK</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_15" atomSubType="1" namingSystem="MSD" atomName="2HMK">
    <sysName>2HMK</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_16" atomSubType="1" namingSystem="PDB" atomName="2HN">
    <sysName>2HN</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_17" atomSubType="1" namingSystem="MSD" atomName="2HN">
    <sysName>2HN</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_18" atomSubType="1" namingSystem="PDB" atomName="3HMK">
    <sysName>3HMK</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_19" atomSubType="1" namingSystem="MSD" atomName="3HMK">
    <sysName>3HMK</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_20" atomSubType="1" namingSystem="PDB" atomName="C">
    <sysName>C</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_21" atomSubType="1" namingSystem="MSD" atomName="C">
    <sysName>C</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_22" atomSubType="1" namingSystem="PDB" atomName="CA">
    <sysName>CA</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_23" atomSubType="1" namingSystem="MSD" atomName="CA">
    <sysName>CA</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_24" atomSubType="1" namingSystem="PDB" atomName="CB">
    <sysName>CB</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_25" atomSubType="1" namingSystem="MSD" atomName="CB">
    <sysName>CB</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_26" atomSubType="1" namingSystem="PDB" atomName="CD">
    <sysName>CD</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_27" atomSubType="1" namingSystem="MSD" atomName="CD">
    <sysName>CD</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_28" atomSubType="1" namingSystem="PDB" atomName="CG">
    <sysName>CG</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_29" atomSubType="1" namingSystem="MSD" atomName="CG">
    <sysName>CG</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_30" atomSubType="1" namingSystem="PDB" atomName="CMK">
    <sysName>CMK</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_31" atomSubType="1" namingSystem="MSD" atomName="CMK">
    <sysName>CMK</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_32" atomSubType="1" namingSystem="PDB" atomName="H">
    <sysName>H</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_33" atomSubType="1" namingSystem="MSD" atomName="H">
    <sysName>H</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_34" atomSubType="1" namingSystem="PDB" atomName="HA">
    <sysName>HA</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_35" atomSubType="1" namingSystem="MSD" atomName="HA">
    <sysName>HA</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_36" atomSubType="1" namingSystem="PDB" atomName="HO">
    <sysName>HO</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_37" atomSubType="1" namingSystem="MSD" atomName="HO">
    <sysName>HO</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_38" atomSubType="1" namingSystem="PDB" atomName="HOE2">
    <sysName>HOE2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_39" atomSubType="1" namingSystem="MSD" atomName="HOE2">
    <sysName>HOE2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_40" atomSubType="1" namingSystem="PDB" atomName="N">
    <sysName>N</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_41" atomSubType="1" namingSystem="MSD" atomName="N">
    <sysName>N</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_42" atomSubType="1" namingSystem="PDB" atomName="O">
    <sysName>O</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_43" atomSubType="1" namingSystem="MSD" atomName="O">
    <sysName>O</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_44" atomSubType="1" namingSystem="PDB" atomName="OE1">
    <sysName>OE1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_45" atomSubType="1" namingSystem="MSD" atomName="OE1">
    <sysName>OE1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_46" atomSubType="1" namingSystem="PDB" atomName="OE2">
    <sysName>OE2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_47" atomSubType="1" namingSystem="MSD" atomName="OE2">
    <sysName>OE2</sysName>
  </ChemAtomSysName>
  <ChemAtom _ID="_48" waterExchangeable="false" subType="1" elementSymbol="H" name="1HB">
    <chemBonds _IDREF="_49"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_51" waterExchangeable="false" subType="1" elementSymbol="H" name="1HG">
    <chemBonds _IDREF="_52"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_53" waterExchangeable="false" subType="1" elementSymbol="H" name="1HMK">
    <chemBonds _IDREF="_54"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_55" waterExchangeable="false" subType="1" elementSymbol="H" name="1HN">
    <chemBonds _IDREF="_56"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_57" waterExchangeable="false" subType="1" elementSymbol="H" name="2HB">
    <chemBonds _IDREF="_58"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_59" waterExchangeable="false" subType="1" elementSymbol="H" name="2HG">
    <chemBonds _IDREF="_60"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_61" waterExchangeable="false" subType="1" elementSymbol="H" name="2HMK">
    <chemBonds _IDREF="_62"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_63" waterExchangeable="false" subType="1" elementSymbol="H" name="2HN">
    <chemBonds _IDREF="_64"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_65" waterExchangeable="false" subType="1" elementSymbol="H" name="3HMK">
    <chemBonds _IDREF="_66"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_67" waterExchangeable="false" subType="1" chirality="R" elementSymbol="C" name="C">
    <chemBonds _IDREF="_68"/>
    <chemBonds _IDREF="_69"/>
    <chemBonds _IDREF="_70"/>
    <chemBonds _IDREF="_71"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_72" waterExchangeable="false" subType="1" chirality="S" elementSymbol="C" name="CA">
    <chemBonds _IDREF="_71"/>
    <chemBonds _IDREF="_73"/>
    <chemBonds _IDREF="_74"/>
    <chemBonds _IDREF="_75"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_76" waterExchangeable="false" subType="1" elementSymbol="C" name="CB">
    <chemBonds _IDREF="_73"/>
    <chemBonds _IDREF="_49"/>
    <chemBonds _IDREF="_58"/>
    <chemBonds _IDREF="_77"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_78" waterExchangeable="false" subType="1" elementSymbol="C" name="CD">
    <chemBonds _IDREF="_79"/>
    <chemBonds _IDREF="_80"/>
    <chemBonds _IDREF="_81"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_82" waterExchangeable="false" subType="1" elementSymbol="C" name="CG">
    <chemBonds _IDREF="_77"/>
    <chemBonds _IDREF="_52"/>
    <chemBonds _IDREF="_60"/>
    <chemBonds _IDREF="_81"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_83" waterExchangeable="false" subType="1" elementSymbol="C" name="CMK">
    <chemBonds _IDREF="_68"/>
    <chemBonds _IDREF="_54"/>
    <chemBonds _IDREF="_62"/>
    <chemBonds _IDREF="_66"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_84" waterExchangeable="false" subType="1" elementSymbol="H" name="H">
    <chemBonds _IDREF="_69"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_85" waterExchangeable="false" subType="1" elementSymbol="H" name="HA">
    <chemBonds _IDREF="_74"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_86" waterExchangeable="false" subType="1" elementSymbol="H" name="HO">
    <chemBonds _IDREF="_87"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_88" waterExchangeable="false" subType="1" elementSymbol="H" name="HOE2">
    <chemBonds _IDREF="_89"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_90" waterExchangeable="false" subType="1" elementSymbol="N" name="N">
    <chemBonds _IDREF="_56"/>
    <chemBonds _IDREF="_64"/>
    <chemBonds _IDREF="_75"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_91" waterExchangeable="false" subType="1" elementSymbol="O" name="O">
    <chemBonds _IDREF="_70"/>
    <chemBonds _IDREF="_87"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_92" waterExchangeable="false" subType="1" elementSymbol="O" name="OE1">
    <chemBonds _IDREF="_79"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemAtom _ID="_93" waterExchangeable="false" subType="1" elementSymbol="O" name="OE2">
    <chemBonds _IDREF="_80"/>
    <chemBonds _IDREF="_89"/>
    <chemCompVars _IDREF="_50"/>
  </ChemAtom>
  <ChemBond _ID="_68" bondType="single">
    <chemAtoms _IDREF="_67"/>
    <chemAtoms _IDREF="_83"/>
  </ChemBond>
  <ChemBond _ID="_69" bondType="single">
    <chemAtoms _IDREF="_67"/>
    <chemAtoms _IDREF="_84"/>
  </ChemBond>
  <ChemBond _ID="_70" bondType="single">
    <chemAtoms _IDREF="_67"/>
    <chemAtoms _IDREF="_91"/>
  </ChemBond>
  <ChemBond _ID="_71" bondType="single">
    <chemAtoms _IDREF="_67"/>
    <chemAtoms _IDREF="_72"/>
  </ChemBond>
  <ChemBond _ID="_73" bondType="single">
    <chemAtoms _IDREF="_72"/>
    <chemAtoms _IDREF="_76"/>
  </ChemBond>
  <ChemBond _ID="_74" bondType="single">
    <chemAtoms _IDREF="_72"/>
    <chemAtoms _IDREF="_85"/>
  </ChemBond>
  <ChemBond _ID="_49" bondType="single">
    <chemAtoms _IDREF="_76"/>
    <chemAtoms _IDREF="_48"/>
  </ChemBond>
  <ChemBond _ID="_58" bondType="single">
    <chemAtoms _IDREF="_76"/>
    <chemAtoms _IDREF="_57"/>
  </ChemBond>
  <ChemBond _ID="_77" bondType="single">
    <chemAtoms _IDREF="_76"/>
    <chemAtoms _IDREF="_82"/>
  </ChemBond>
  <ChemBond _ID="_79" bondType="double">
    <chemAtoms _IDREF="_92"/>
    <chemAtoms _IDREF="_78"/>
  </ChemBond>
  <ChemBond _ID="_80" bondType="single">
    <chemAtoms _IDREF="_93"/>
    <chemAtoms _IDREF="_78"/>
  </ChemBond>
  <ChemBond _ID="_52" bondType="single">
    <chemAtoms _IDREF="_51"/>
    <chemAtoms _IDREF="_82"/>
  </ChemBond>
  <ChemBond _ID="_60" bondType="single">
    <chemAtoms _IDREF="_59"/>
    <chemAtoms _IDREF="_82"/>
  </ChemBond>
  <ChemBond _ID="_81" bondType="single">
    <chemAtoms _IDREF="_82"/>
    <chemAtoms _IDREF="_78"/>
  </ChemBond>
  <ChemBond _ID="_54" bondType="single">
    <chemAtoms _IDREF="_83"/>
    <chemAtoms _IDREF="_53"/>
  </ChemBond>
  <ChemBond _ID="_62" bondType="single">
    <chemAtoms _IDREF="_61"/>
    <chemAtoms _IDREF="_83"/>
  </ChemBond>
  <ChemBond _ID="_66" bondType="single">
    <chemAtoms _IDREF="_65"/>
    <chemAtoms _IDREF="_83"/>
  </ChemBond>
  <ChemBond _ID="_56" bondType="single">
    <chemAtoms _IDREF="_90"/>
    <chemAtoms _IDREF="_55"/>
  </ChemBond>
  <ChemBond _ID="_64" bondType="single">
    <chemAtoms _IDREF="_90"/>
    <chemAtoms _IDREF="_63"/>
  </ChemBond>
  <ChemBond _ID="_75" bondType="single">
    <chemAtoms _IDREF="_72"/>
    <chemAtoms _IDREF="_90"/>
  </ChemBond>
  <ChemBond _ID="_87" bondType="single">
    <chemAtoms _IDREF="_86"/>
    <chemAtoms _IDREF="_91"/>
  </ChemBond>
  <ChemBond _ID="_89" bondType="single">
    <chemAtoms _IDREF="_88"/>
    <chemAtoms _IDREF="_93"/>
  </ChemBond>
  <ChemCompVar _ID="_50" isDefaultVar="true" formalCharge="0" isParamagnetic="false" isAromatic="false" linking="none">
    <descriptor>neutral</descriptor>
    <stereoSmiles>C[C@@H](O)[C@@H](N)CCC(O)=O</stereoSmiles>
    <chemAtoms _IDREF="_83"/>
    <chemAtoms _IDREF="_93"/>
    <chemAtoms _IDREF="_61"/>
    <chemAtoms _IDREF="_86"/>
    <chemAtoms _IDREF="_85"/>
    <chemAtoms _IDREF="_53"/>
    <chemAtoms _IDREF="_84"/>
    <chemAtoms _IDREF="_92"/>
    <chemAtoms _IDREF="_67"/>
    <chemAtoms _IDREF="_76"/>
    <chemAtoms _IDREF="_72"/>
    <chemAtoms _IDREF="_82"/>
    <chemAtoms _IDREF="_91"/>
    <chemAtoms _IDREF="_78"/>
    <chemAtoms _IDREF="_48"/>
    <chemAtoms _IDREF="_51"/>
    <chemAtoms _IDREF="_63"/>
    <chemAtoms _IDREF="_57"/>
    <chemAtoms _IDREF="_55"/>
    <chemAtoms _IDREF="_59"/>
    <chemAtoms _IDREF="_90"/>
    <chemAtoms _IDREF="_65"/>
    <chemAtoms _IDREF="_88"/>
  </ChemCompVar>
</NonStdChemComp>

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

