<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Wed Aug  8 14:05:38 2007" release="1.1.a3" 
 packageName="ccp.molecule.ChemComp" root="project" originator="CCPN Python XmlIO">
 
<parent>
  <key1 tag="molType">other</key1>
  <key2 tag="ccpCode">EZT</key2>
</parent>

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  <name>(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL</name>
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  <ChemBond _ID="_241" bondType="single">
    <chemAtoms _IDREF="_239"/>
    <chemAtoms _IDREF="_242"/>
  </ChemBond>
  <ChemBond _ID="_243" bondType="single">
    <chemAtoms _IDREF="_242"/>
    <chemAtoms _IDREF="_260"/>
  </ChemBond>
  <ChemBond _ID="_250" bondType="single">
    <chemAtoms _IDREF="_263"/>
    <chemAtoms _IDREF="_249"/>
  </ChemBond>
  <ChemBond _ID="_262" bondType="single">
    <chemAtoms _IDREF="_264"/>
    <chemAtoms _IDREF="_261"/>
  </ChemBond>
  <ChemCompVar _ID="_157" isDefaultVar="true" formalCharge="0" isParamagnetic="false" isAromatic="true" linking="none">
    <descriptor>neutral</descriptor>
    <stereoSmiles>C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)/C=C/c5ccccc5C(F)(F)F</stereoSmiles>
    <chemAtoms _IDREF="_22"/>
    <chemAtoms _IDREF="_9"/>
    <chemAtoms _IDREF="_23"/>
    <chemAtoms _IDREF="_251"/>
    <chemAtoms _IDREF="_257"/>
    <chemAtoms _IDREF="_256"/>
    <chemAtoms _IDREF="_253"/>
    <chemAtoms _IDREF="_255"/>
    <chemAtoms _IDREF="_254"/>
    <chemAtoms _IDREF="_193"/>
    <chemAtoms _IDREF="_189"/>
    <chemAtoms _IDREF="_244"/>
    <chemAtoms _IDREF="_246"/>
    <chemAtoms _IDREF="_245"/>
    <chemAtoms _IDREF="_170"/>
    <chemAtoms _IDREF="_166"/>
    <chemAtoms _IDREF="_161"/>
    <chemAtoms _IDREF="_158"/>
    <chemAtoms _IDREF="_186"/>
    <chemAtoms _IDREF="_182"/>
    <chemAtoms _IDREF="_178"/>
    <chemAtoms _IDREF="_174"/>
    <chemAtoms _IDREF="_264"/>
    <chemAtoms _IDREF="_242"/>
    <chemAtoms _IDREF="_239"/>
    <chemAtoms _IDREF="_15"/>
    <chemAtoms _IDREF="_16"/>
    <chemAtoms _IDREF="_17"/>
    <chemAtoms _IDREF="_223"/>
    <chemAtoms _IDREF="_196"/>
    <chemAtoms _IDREF="_153"/>
    <chemAtoms _IDREF="_235"/>
    <chemAtoms _IDREF="_231"/>
    <chemAtoms _IDREF="_229"/>
    <chemAtoms _IDREF="_226"/>
    <chemAtoms _IDREF="_205"/>
    <chemAtoms _IDREF="_208"/>
    <chemAtoms _IDREF="_199"/>
    <chemAtoms _IDREF="_202"/>
    <chemAtoms _IDREF="_217"/>
    <chemAtoms _IDREF="_219"/>
    <chemAtoms _IDREF="_211"/>
    <chemAtoms _IDREF="_214"/>
    <chemAtoms _IDREF="_19"/>
    <chemAtoms _IDREF="_20"/>
    <chemAtoms _IDREF="_248"/>
    <chemAtoms _IDREF="_249"/>
    <chemAtoms _IDREF="_12"/>
    <chemAtoms _IDREF="_13"/>
    <chemAtoms _IDREF="_263"/>
    <chemAtoms _IDREF="_259"/>
    <chemAtoms _IDREF="_260"/>
    <chemAtoms _IDREF="_10"/>
    <chemAtoms _IDREF="_247"/>
    <chemAtoms _IDREF="_258"/>
    <chemAtoms _IDREF="_252"/>
    <chemAtoms _IDREF="_3"/>
    <chemAtoms _IDREF="_4"/>
    <chemAtoms _IDREF="_6"/>
    <chemAtoms _IDREF="_261"/>
    <chemAtoms _IDREF="_7"/>
  </ChemCompVar>
</NonStdChemComp>

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

