<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Wed Aug  8 14:03:36 2007" release="1.1.a3" 
 packageName="ccp.molecule.ChemComp" root="project" originator="CCPN Python XmlIO">
 
<parent>
  <key1 tag="molType">other</key1>
  <key2 tag="ccpCode">HU2</key2>
</parent>

<NonStdChemComp _ID="_1" molType="other" ccpCode="HU2" cifCode="HU2">
  <name>(2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID</name>
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    <chemAtoms _IDREF="_393"/>
  </ChemBond>
  <ChemBond _ID="_353" bondType="aromatic">
    <chemAtoms _IDREF="_352"/>
    <chemAtoms _IDREF="_358"/>
  </ChemBond>
  <ChemBond _ID="_354" bondType="single">
    <chemAtoms _IDREF="_352"/>
    <chemAtoms _IDREF="_390"/>
  </ChemBond>
  <ChemBond _ID="_356" bondType="aromatic">
    <chemAtoms _IDREF="_355"/>
    <chemAtoms _IDREF="_358"/>
  </ChemBond>
  <ChemBond _ID="_357" bondType="single">
    <chemAtoms _IDREF="_355"/>
    <chemAtoms _IDREF="_391"/>
  </ChemBond>
  <ChemBond _ID="_359" bondType="single">
    <chemAtoms _IDREF="_392"/>
    <chemAtoms _IDREF="_358"/>
  </ChemBond>
  <ChemBond _ID="_361" bondType="single">
    <chemAtoms _IDREF="_415"/>
    <chemAtoms _IDREF="_360"/>
  </ChemBond>
  <ChemBond _ID="_362" bondType="double">
    <chemAtoms _IDREF="_416"/>
    <chemAtoms _IDREF="_360"/>
  </ChemBond>
  <ChemBond _ID="_364" bondType="single">
    <chemAtoms _IDREF="_366"/>
    <chemAtoms _IDREF="_363"/>
  </ChemBond>
  <ChemBond _ID="_365" bondType="single">
    <chemAtoms _IDREF="_394"/>
    <chemAtoms _IDREF="_363"/>
  </ChemBond>
  <ChemBond _ID="_367" bondType="single">
    <chemAtoms _IDREF="_366"/>
    <chemAtoms _IDREF="_370"/>
  </ChemBond>
  <ChemBond _ID="_368" bondType="single">
    <chemAtoms _IDREF="_366"/>
    <chemAtoms _IDREF="_39"/>
  </ChemBond>
  <ChemBond _ID="_369" bondType="single">
    <chemAtoms _IDREF="_366"/>
    <chemAtoms _IDREF="_38"/>
  </ChemBond>
  <ChemBond _ID="_371" bondType="single">
    <chemAtoms _IDREF="_374"/>
    <chemAtoms _IDREF="_370"/>
  </ChemBond>
  <ChemBond _ID="_372" bondType="single">
    <chemAtoms _IDREF="_378"/>
    <chemAtoms _IDREF="_370"/>
  </ChemBond>
  <ChemBond _ID="_373" bondType="single">
    <chemAtoms _IDREF="_370"/>
    <chemAtoms _IDREF="_395"/>
  </ChemBond>
  <ChemBond _ID="_375" bondType="single">
    <chemAtoms _IDREF="_374"/>
    <chemAtoms _IDREF="_41"/>
  </ChemBond>
  <ChemBond _ID="_376" bondType="single">
    <chemAtoms _IDREF="_43"/>
    <chemAtoms _IDREF="_374"/>
  </ChemBond>
  <ChemBond _ID="_377" bondType="single">
    <chemAtoms _IDREF="_42"/>
    <chemAtoms _IDREF="_374"/>
  </ChemBond>
  <ChemBond _ID="_379" bondType="single">
    <chemAtoms _IDREF="_45"/>
    <chemAtoms _IDREF="_378"/>
  </ChemBond>
  <ChemBond _ID="_380" bondType="single">
    <chemAtoms _IDREF="_46"/>
    <chemAtoms _IDREF="_378"/>
  </ChemBond>
  <ChemBond _ID="_381" bondType="single">
    <chemAtoms _IDREF="_47"/>
    <chemAtoms _IDREF="_378"/>
  </ChemBond>
  <ChemBond _ID="_277" bondType="single">
    <chemAtoms _IDREF="_406"/>
    <chemAtoms _IDREF="_273"/>
  </ChemBond>
  <ChemBond _ID="_397" bondType="single">
    <chemAtoms _IDREF="_406"/>
    <chemAtoms _IDREF="_396"/>
  </ChemBond>
  <ChemBond _ID="_304" bondType="single">
    <chemAtoms _IDREF="_407"/>
    <chemAtoms _IDREF="_300"/>
  </ChemBond>
  <ChemBond _ID="_399" bondType="single">
    <chemAtoms _IDREF="_398"/>
    <chemAtoms _IDREF="_407"/>
  </ChemBond>
  <ChemBond _ID="_328" bondType="single">
    <chemAtoms _IDREF="_408"/>
    <chemAtoms _IDREF="_324"/>
  </ChemBond>
  <ChemBond _ID="_333" bondType="single">
    <chemAtoms _IDREF="_408"/>
    <chemAtoms _IDREF="_332"/>
  </ChemBond>
  <ChemBond _ID="_401" bondType="single">
    <chemAtoms _IDREF="_400"/>
    <chemAtoms _IDREF="_408"/>
  </ChemBond>
  <ChemBond _ID="_339" bondType="single">
    <chemAtoms _IDREF="_409"/>
    <chemAtoms _IDREF="_335"/>
  </ChemBond>
  <ChemBond _ID="_403" bondType="single">
    <chemAtoms _IDREF="_402"/>
    <chemAtoms _IDREF="_409"/>
  </ChemBond>
  <ChemBond _ID="_319" bondType="double">
    <chemAtoms _IDREF="_412"/>
    <chemAtoms _IDREF="_317"/>
  </ChemBond>
  <ChemBond _ID="_334" bondType="double">
    <chemAtoms _IDREF="_413"/>
    <chemAtoms _IDREF="_332"/>
  </ChemBond>
  <ChemBond _ID="_405" bondType="single">
    <chemAtoms _IDREF="_404"/>
    <chemAtoms _IDREF="_415"/>
  </ChemBond>
  <ChemCompVar _ID="_259" isDefaultVar="true" formalCharge="0" isParamagnetic="false" isAromatic="true" linking="none">
    <descriptor>neutral</descriptor>
    <stereoSmiles>CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C/C=C/CC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1</stereoSmiles>
    <chemAtoms _IDREF="_346"/>
    <chemAtoms _IDREF="_343"/>
    <chemAtoms _IDREF="_332"/>
    <chemAtoms _IDREF="_340"/>
    <chemAtoms _IDREF="_335"/>
    <chemAtoms _IDREF="_324"/>
    <chemAtoms _IDREF="_329"/>
    <chemAtoms _IDREF="_413"/>
    <chemAtoms _IDREF="_412"/>
    <chemAtoms _IDREF="_411"/>
    <chemAtoms _IDREF="_387"/>
    <chemAtoms _IDREF="_18"/>
    <chemAtoms _IDREF="_19"/>
    <chemAtoms _IDREF="_20"/>
    <chemAtoms _IDREF="_300"/>
    <chemAtoms _IDREF="_297"/>
    <chemAtoms _IDREF="_313"/>
    <chemAtoms _IDREF="_305"/>
    <chemAtoms _IDREF="_309"/>
    <chemAtoms _IDREF="_317"/>
    <chemAtoms _IDREF="_398"/>
    <chemAtoms _IDREF="_408"/>
    <chemAtoms _IDREF="_409"/>
    <chemAtoms _IDREF="_265"/>
    <chemAtoms _IDREF="_41"/>
    <chemAtoms _IDREF="_42"/>
    <chemAtoms _IDREF="_43"/>
    <chemAtoms _IDREF="_25"/>
    <chemAtoms _IDREF="_26"/>
    <chemAtoms _IDREF="_402"/>
    <chemAtoms _IDREF="_400"/>
    <chemAtoms _IDREF="_415"/>
    <chemAtoms _IDREF="_416"/>
    <chemAtoms _IDREF="_352"/>
    <chemAtoms _IDREF="_355"/>
    <chemAtoms _IDREF="_358"/>
    <chemAtoms _IDREF="_360"/>
    <chemAtoms _IDREF="_382"/>
    <chemAtoms _IDREF="_383"/>
    <chemAtoms _IDREF="_384"/>
    <chemAtoms _IDREF="_406"/>
    <chemAtoms _IDREF="_385"/>
    <chemAtoms _IDREF="_395"/>
    <chemAtoms _IDREF="_45"/>
    <chemAtoms _IDREF="_46"/>
    <chemAtoms _IDREF="_47"/>
    <chemAtoms _IDREF="_386"/>
    <chemAtoms _IDREF="_396"/>
    <chemAtoms _IDREF="_32"/>
    <chemAtoms _IDREF="_33"/>
    <chemAtoms _IDREF="_378"/>
    <chemAtoms _IDREF="_374"/>
    <chemAtoms _IDREF="_320"/>
    <chemAtoms _IDREF="_294"/>
    <chemAtoms _IDREF="_255"/>
    <chemAtoms _IDREF="_370"/>
    <chemAtoms _IDREF="_366"/>
    <chemAtoms _IDREF="_363"/>
    <chemAtoms _IDREF="_349"/>
    <chemAtoms _IDREF="_38"/>
    <chemAtoms _IDREF="_39"/>
    <chemAtoms _IDREF="_407"/>
    <chemAtoms _IDREF="_404"/>
    <chemAtoms _IDREF="_410"/>
    <chemAtoms _IDREF="_394"/>
    <chemAtoms _IDREF="_7"/>
    <chemAtoms _IDREF="_8"/>
    <chemAtoms _IDREF="_9"/>
    <chemAtoms _IDREF="_290"/>
    <chemAtoms _IDREF="_286"/>
    <chemAtoms _IDREF="_35"/>
    <chemAtoms _IDREF="_269"/>
    <chemAtoms _IDREF="_36"/>
    <chemAtoms _IDREF="_260"/>
    <chemAtoms _IDREF="_282"/>
    <chemAtoms _IDREF="_278"/>
    <chemAtoms _IDREF="_273"/>
    <chemAtoms _IDREF="_28"/>
    <chemAtoms _IDREF="_29"/>
    <chemAtoms _IDREF="_30"/>
    <chemAtoms _IDREF="_393"/>
    <chemAtoms _IDREF="_22"/>
    <chemAtoms _IDREF="_14"/>
    <chemAtoms _IDREF="_15"/>
    <chemAtoms _IDREF="_16"/>
    <chemAtoms _IDREF="_23"/>
    <chemAtoms _IDREF="_388"/>
    <chemAtoms _IDREF="_389"/>
    <chemAtoms _IDREF="_392"/>
    <chemAtoms _IDREF="_3"/>
    <chemAtoms _IDREF="_11"/>
    <chemAtoms _IDREF="_12"/>
    <chemAtoms _IDREF="_414"/>
    <chemAtoms _IDREF="_4"/>
    <chemAtoms _IDREF="_5"/>
    <chemAtoms _IDREF="_391"/>
    <chemAtoms _IDREF="_390"/>
  </ChemCompVar>
</NonStdChemComp>

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

