<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Tue Jan 23 13:45:58 2007" release="1.1.a2" 
 packageName="ccp.molecule.ChemComp" root="project" originator="CCPN Python XmlIO">
 
<parent>
  <key1 tag="molType">other</key1>
  <key2 tag="ccpCode">N9H</key2>
</parent>

<NonStdChemComp _ID="_1" molType="other" ccpCode="N9H" cifCode="N9H">
  <name>(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE</name>
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    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_174" waterExchangeable="false" subType="1" elementSymbol="C" name="C29">
    <chemBonds _IDREF="_175"/>
    <chemBonds _IDREF="_176"/>
    <chemBonds _IDREF="_177"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_178" waterExchangeable="false" subType="1" elementSymbol="C" name="C3">
    <chemBonds _IDREF="_161"/>
    <chemBonds _IDREF="_144"/>
    <chemBonds _IDREF="_179"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_180" waterExchangeable="false" subType="1" elementSymbol="C" name="C31">
    <chemBonds _IDREF="_112"/>
    <chemBonds _IDREF="_126"/>
    <chemBonds _IDREF="_181"/>
    <chemBonds _IDREF="_182"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_183" waterExchangeable="false" subType="1" elementSymbol="C" name="C4">
    <chemBonds _IDREF="_179"/>
    <chemBonds _IDREF="_184"/>
    <chemBonds _IDREF="_185"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_186" waterExchangeable="false" subType="1" elementSymbol="C" name="C5">
    <chemBonds _IDREF="_184"/>
    <chemBonds _IDREF="_187"/>
    <chemBonds _IDREF="_188"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_189" waterExchangeable="false" subType="1" elementSymbol="C" name="C6">
    <chemBonds _IDREF="_139"/>
    <chemBonds _IDREF="_187"/>
    <chemBonds _IDREF="_190"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_191" waterExchangeable="false" subType="1" elementSymbol="C" name="C7">
    <chemBonds _IDREF="_151"/>
    <chemBonds _IDREF="_114"/>
    <chemBonds _IDREF="_128"/>
    <chemBonds _IDREF="_192"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_193" waterExchangeable="false" subType="1" elementSymbol="C" name="C8">
    <chemBonds _IDREF="_192"/>
    <chemBonds _IDREF="_116"/>
    <chemBonds _IDREF="_130"/>
    <chemBonds _IDREF="_147"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_194" waterExchangeable="false" subType="1" elementSymbol="C" name="C9">
    <chemBonds _IDREF="_181"/>
    <chemBonds _IDREF="_118"/>
    <chemBonds _IDREF="_132"/>
    <chemBonds _IDREF="_136"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_195" waterExchangeable="false" subType="1" elementSymbol="F" name="F40">
    <chemBonds _IDREF="_185"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_196" waterExchangeable="false" subType="1" elementSymbol="F" name="F41">
    <chemBonds _IDREF="_140"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_197" waterExchangeable="false" subType="1" elementSymbol="H" name="H19">
    <chemBonds _IDREF="_159"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_198" waterExchangeable="false" subType="1" elementSymbol="H" name="H2">
    <chemBonds _IDREF="_162"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_199" waterExchangeable="false" subType="1" elementSymbol="H" name="H20">
    <chemBonds _IDREF="_165"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_200" waterExchangeable="false" subType="1" elementSymbol="H" name="H21">
    <chemBonds _IDREF="_168"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_201" waterExchangeable="false" subType="1" elementSymbol="H" name="H22">
    <chemBonds _IDREF="_171"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_202" waterExchangeable="false" subType="1" elementSymbol="H" name="H23">
    <chemBonds _IDREF="_173"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_203" waterExchangeable="false" subType="1" elementSymbol="H" name="H5">
    <chemBonds _IDREF="_188"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_204" waterExchangeable="false" subType="1" elementSymbol="H" name="H6">
    <chemBonds _IDREF="_190"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_205" waterExchangeable="false" subType="1" elementSymbol="H" name="HN30">
    <chemBonds _IDREF="_206"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_207" waterExchangeable="false" subType="1" elementSymbol="N" name="N1">
    <chemBonds _IDREF="_143"/>
    <chemBonds _IDREF="_208"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_209" waterExchangeable="false" subType="1" elementSymbol="N" name="N12">
    <chemBonds _IDREF="_208"/>
    <chemBonds _IDREF="_152"/>
    <chemBonds _IDREF="_177"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_210" waterExchangeable="false" subType="1" elementSymbol="N" name="N2">
    <chemBonds _IDREF="_146"/>
    <chemBonds _IDREF="_120"/>
    <chemBonds _IDREF="_134"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_211" waterExchangeable="false" subType="1" elementSymbol="N" name="N30">
    <chemBonds _IDREF="_175"/>
    <chemBonds _IDREF="_182"/>
    <chemBonds _IDREF="_206"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemAtom _ID="_212" waterExchangeable="false" subType="1" elementSymbol="O" name="O39">
    <chemBonds _IDREF="_176"/>
    <chemCompVars _IDREF="_108"/>
  </ChemAtom>
  <ChemBond _ID="_138" bondType="aromatic">
    <chemAtoms _IDREF="_160"/>
    <chemAtoms _IDREF="_137"/>
  </ChemBond>
  <ChemBond _ID="_139" bondType="aromatic">
    <chemAtoms _IDREF="_189"/>
    <chemAtoms _IDREF="_137"/>
  </ChemBond>
  <ChemBond _ID="_140" bondType="single">
    <chemAtoms _IDREF="_196"/>
    <chemAtoms _IDREF="_137"/>
  </ChemBond>
  <ChemBond _ID="_142" bondType="single">
    <chemAtoms _IDREF="_153"/>
    <chemAtoms _IDREF="_141"/>
  </ChemBond>
  <ChemBond _ID="_143" bondType="double">
    <chemAtoms _IDREF="_207"/>
    <chemAtoms _IDREF="_141"/>
  </ChemBond>
  <ChemBond _ID="_107" bondType="single">
    <chemAtoms _IDREF="_145"/>
    <chemAtoms _IDREF="_106"/>
  </ChemBond>
  <ChemBond _ID="_122" bondType="single">
    <chemAtoms _IDREF="_145"/>
    <chemAtoms _IDREF="_121"/>
  </ChemBond>
  <ChemBond _ID="_146" bondType="single">
    <chemAtoms _IDREF="_145"/>
    <chemAtoms _IDREF="_210"/>
  </ChemBond>
  <ChemBond _ID="_149" bondType="single">
    <chemAtoms _IDREF="_153"/>
    <chemAtoms _IDREF="_148"/>
  </ChemBond>
  <ChemBond _ID="_150" bondType="single">
    <chemAtoms _IDREF="_154"/>
    <chemAtoms _IDREF="_148"/>
  </ChemBond>
  <ChemBond _ID="_151" bondType="single">
    <chemAtoms _IDREF="_148"/>
    <chemAtoms _IDREF="_191"/>
  </ChemBond>
  <ChemBond _ID="_110" bondType="single">
    <chemAtoms _IDREF="_109"/>
    <chemAtoms _IDREF="_153"/>
  </ChemBond>
  <ChemBond _ID="_124" bondType="single">
    <chemAtoms _IDREF="_153"/>
    <chemAtoms _IDREF="_123"/>
  </ChemBond>
  <ChemBond _ID="_155" bondType="aromatic">
    <chemAtoms _IDREF="_154"/>
    <chemAtoms _IDREF="_157"/>
  </ChemBond>
  <ChemBond _ID="_156" bondType="aromatic">
    <chemAtoms _IDREF="_172"/>
    <chemAtoms _IDREF="_154"/>
  </ChemBond>
  <ChemBond _ID="_158" bondType="aromatic">
    <chemAtoms _IDREF="_163"/>
    <chemAtoms _IDREF="_157"/>
  </ChemBond>
  <ChemBond _ID="_159" bondType="single">
    <chemAtoms _IDREF="_157"/>
    <chemAtoms _IDREF="_197"/>
  </ChemBond>
  <ChemBond _ID="_161" bondType="aromatic">
    <chemAtoms _IDREF="_178"/>
    <chemAtoms _IDREF="_160"/>
  </ChemBond>
  <ChemBond _ID="_162" bondType="single">
    <chemAtoms _IDREF="_160"/>
    <chemAtoms _IDREF="_198"/>
  </ChemBond>
  <ChemBond _ID="_164" bondType="aromatic">
    <chemAtoms _IDREF="_166"/>
    <chemAtoms _IDREF="_163"/>
  </ChemBond>
  <ChemBond _ID="_165" bondType="single">
    <chemAtoms _IDREF="_163"/>
    <chemAtoms _IDREF="_199"/>
  </ChemBond>
  <ChemBond _ID="_167" bondType="aromatic">
    <chemAtoms _IDREF="_166"/>
    <chemAtoms _IDREF="_169"/>
  </ChemBond>
  <ChemBond _ID="_168" bondType="single">
    <chemAtoms _IDREF="_166"/>
    <chemAtoms _IDREF="_200"/>
  </ChemBond>
  <ChemBond _ID="_170" bondType="aromatic">
    <chemAtoms _IDREF="_172"/>
    <chemAtoms _IDREF="_169"/>
  </ChemBond>
  <ChemBond _ID="_171" bondType="single">
    <chemAtoms _IDREF="_169"/>
    <chemAtoms _IDREF="_201"/>
  </ChemBond>
  <ChemBond _ID="_173" bondType="single">
    <chemAtoms _IDREF="_172"/>
    <chemAtoms _IDREF="_202"/>
  </ChemBond>
  <ChemBond _ID="_175" bondType="single">
    <chemAtoms _IDREF="_174"/>
    <chemAtoms _IDREF="_211"/>
  </ChemBond>
  <ChemBond _ID="_176" bondType="double">
    <chemAtoms _IDREF="_174"/>
    <chemAtoms _IDREF="_212"/>
  </ChemBond>
  <ChemBond _ID="_144" bondType="single">
    <chemAtoms _IDREF="_178"/>
    <chemAtoms _IDREF="_141"/>
  </ChemBond>
  <ChemBond _ID="_179" bondType="aromatic">
    <chemAtoms _IDREF="_178"/>
    <chemAtoms _IDREF="_183"/>
  </ChemBond>
  <ChemBond _ID="_112" bondType="single">
    <chemAtoms _IDREF="_111"/>
    <chemAtoms _IDREF="_180"/>
  </ChemBond>
  <ChemBond _ID="_126" bondType="single">
    <chemAtoms _IDREF="_125"/>
    <chemAtoms _IDREF="_180"/>
  </ChemBond>
  <ChemBond _ID="_181" bondType="single">
    <chemAtoms _IDREF="_180"/>
    <chemAtoms _IDREF="_194"/>
  </ChemBond>
  <ChemBond _ID="_184" bondType="aromatic">
    <chemAtoms _IDREF="_186"/>
    <chemAtoms _IDREF="_183"/>
  </ChemBond>
  <ChemBond _ID="_185" bondType="single">
    <chemAtoms _IDREF="_183"/>
    <chemAtoms _IDREF="_195"/>
  </ChemBond>
  <ChemBond _ID="_187" bondType="aromatic">
    <chemAtoms _IDREF="_186"/>
    <chemAtoms _IDREF="_189"/>
  </ChemBond>
  <ChemBond _ID="_188" bondType="single">
    <chemAtoms _IDREF="_203"/>
    <chemAtoms _IDREF="_186"/>
  </ChemBond>
  <ChemBond _ID="_190" bondType="single">
    <chemAtoms _IDREF="_204"/>
    <chemAtoms _IDREF="_189"/>
  </ChemBond>
  <ChemBond _ID="_114" bondType="single">
    <chemAtoms _IDREF="_113"/>
    <chemAtoms _IDREF="_191"/>
  </ChemBond>
  <ChemBond _ID="_128" bondType="single">
    <chemAtoms _IDREF="_127"/>
    <chemAtoms _IDREF="_191"/>
  </ChemBond>
  <ChemBond _ID="_192" bondType="single">
    <chemAtoms _IDREF="_191"/>
    <chemAtoms _IDREF="_193"/>
  </ChemBond>
  <ChemBond _ID="_116" bondType="single">
    <chemAtoms _IDREF="_115"/>
    <chemAtoms _IDREF="_193"/>
  </ChemBond>
  <ChemBond _ID="_130" bondType="single">
    <chemAtoms _IDREF="_129"/>
    <chemAtoms _IDREF="_193"/>
  </ChemBond>
  <ChemBond _ID="_147" bondType="single">
    <chemAtoms _IDREF="_145"/>
    <chemAtoms _IDREF="_193"/>
  </ChemBond>
  <ChemBond _ID="_118" bondType="single">
    <chemAtoms _IDREF="_117"/>
    <chemAtoms _IDREF="_194"/>
  </ChemBond>
  <ChemBond _ID="_132" bondType="single">
    <chemAtoms _IDREF="_131"/>
    <chemAtoms _IDREF="_194"/>
  </ChemBond>
  <ChemBond _ID="_136" bondType="single">
    <chemAtoms _IDREF="_194"/>
    <chemAtoms _IDREF="_135"/>
  </ChemBond>
  <ChemBond _ID="_208" bondType="single">
    <chemAtoms _IDREF="_209"/>
    <chemAtoms _IDREF="_207"/>
  </ChemBond>
  <ChemBond _ID="_152" bondType="single">
    <chemAtoms _IDREF="_209"/>
    <chemAtoms _IDREF="_148"/>
  </ChemBond>
  <ChemBond _ID="_177" bondType="single">
    <chemAtoms _IDREF="_174"/>
    <chemAtoms _IDREF="_209"/>
  </ChemBond>
  <ChemBond _ID="_120" bondType="single">
    <chemAtoms _IDREF="_119"/>
    <chemAtoms _IDREF="_210"/>
  </ChemBond>
  <ChemBond _ID="_134" bondType="single">
    <chemAtoms _IDREF="_133"/>
    <chemAtoms _IDREF="_210"/>
  </ChemBond>
  <ChemBond _ID="_182" bondType="single">
    <chemAtoms _IDREF="_211"/>
    <chemAtoms _IDREF="_180"/>
  </ChemBond>
  <ChemBond _ID="_206" bondType="single">
    <chemAtoms _IDREF="_205"/>
    <chemAtoms _IDREF="_211"/>
  </ChemBond>
  <ChemCompVar _ID="_108" isDefaultVar="true" formalCharge="0" isParamagnetic="false" isAromatic="true" linking="none">
    <descriptor>neutral</descriptor>
    <stereoSmiles>CCNC(=O)N1N=C(C[C@@]1(CCCN)c2ccccc2)c3cc(F)ccc3F</stereoSmiles>
    <chemAtoms _IDREF="_196"/>
    <chemAtoms _IDREF="_195"/>
    <chemAtoms _IDREF="_197"/>
    <chemAtoms _IDREF="_200"/>
    <chemAtoms _IDREF="_199"/>
    <chemAtoms _IDREF="_125"/>
    <chemAtoms _IDREF="_201"/>
    <chemAtoms _IDREF="_157"/>
    <chemAtoms _IDREF="_148"/>
    <chemAtoms _IDREF="_145"/>
    <chemAtoms _IDREF="_141"/>
    <chemAtoms _IDREF="_154"/>
    <chemAtoms _IDREF="_153"/>
    <chemAtoms _IDREF="_131"/>
    <chemAtoms _IDREF="_129"/>
    <chemAtoms _IDREF="_113"/>
    <chemAtoms _IDREF="_205"/>
    <chemAtoms _IDREF="_180"/>
    <chemAtoms _IDREF="_115"/>
    <chemAtoms _IDREF="_117"/>
    <chemAtoms _IDREF="_127"/>
    <chemAtoms _IDREF="_194"/>
    <chemAtoms _IDREF="_193"/>
    <chemAtoms _IDREF="_178"/>
    <chemAtoms _IDREF="_160"/>
    <chemAtoms _IDREF="_137"/>
    <chemAtoms _IDREF="_202"/>
    <chemAtoms _IDREF="_191"/>
    <chemAtoms _IDREF="_189"/>
    <chemAtoms _IDREF="_186"/>
    <chemAtoms _IDREF="_183"/>
    <chemAtoms _IDREF="_169"/>
    <chemAtoms _IDREF="_172"/>
    <chemAtoms _IDREF="_163"/>
    <chemAtoms _IDREF="_166"/>
    <chemAtoms _IDREF="_135"/>
    <chemAtoms _IDREF="_133"/>
    <chemAtoms _IDREF="_174"/>
    <chemAtoms _IDREF="_109"/>
    <chemAtoms _IDREF="_111"/>
    <chemAtoms _IDREF="_106"/>
    <chemAtoms _IDREF="_207"/>
    <chemAtoms _IDREF="_210"/>
    <chemAtoms _IDREF="_209"/>
    <chemAtoms _IDREF="_198"/>
    <chemAtoms _IDREF="_119"/>
    <chemAtoms _IDREF="_204"/>
    <chemAtoms _IDREF="_203"/>
    <chemAtoms _IDREF="_123"/>
    <chemAtoms _IDREF="_121"/>
    <chemAtoms _IDREF="_212"/>
    <chemAtoms _IDREF="_211"/>
  </ChemCompVar>
</NonStdChemComp>

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

