<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Wed Aug  8 14:00:55 2007" release="1.1.a3" 
 packageName="ccp.molecule.ChemComp" root="project" originator="CCPN Python XmlIO">
 
<parent>
  <key1 tag="molType">other</key1>
  <key2 tag="ccpCode">XAL</key2>
</parent>

<NonStdChemComp _ID="_1" molType="other" ccpCode="XAL" cifCode="XAL">
  <name>[(1S,4R,6R)-6-HYDROXY-4-(ADENIN-9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE</name>
  <ChemAtomSysName _ID="_2" atomSubType="1" namingSystem="PDB" atomName="1H2*">
    <sysName>1H2*</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_3" atomSubType="1" namingSystem="MSD" atomName="1H2*">
    <sysName>1H2*</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_4" atomSubType="1" namingSystem="PDB" atomName="1H5*">
    <sysName>1H5*</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_5" atomSubType="1" namingSystem="MSD" atomName="1H5*">
    <sysName>1H5*</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_6" atomSubType="1" namingSystem="PDB" atomName="1HN6">
    <sysName>1HN6</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_7" atomSubType="1" namingSystem="MSD" atomName="1HN6">
    <sysName>1HN6</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_8" atomSubType="1" namingSystem="PDB" atomName="2H2*">
    <sysName>2H2*</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_9" atomSubType="1" namingSystem="MSD" atomName="2H2*">
    <sysName>2H2*</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_10" atomSubType="1" namingSystem="PDB" atomName="2H5*">
    <sysName>2H5*</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_11" atomSubType="1" namingSystem="MSD" atomName="2H5*">
    <sysName>2H5*</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_12" atomSubType="1" namingSystem="PDB" atomName="2HN6">
    <sysName>2HN6</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_13" atomSubType="1" namingSystem="MSD" atomName="2HN6">
    <sysName>2HN6</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_14" atomSubType="1" namingSystem="PDB" atomName="2HOP">
    <sysName>2HOP</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_15" atomSubType="1" namingSystem="MSD" atomName="2HOP">
    <sysName>2HOP</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_16" atomSubType="1" namingSystem="PDB" atomName="3HOP">
    <sysName>3HOP</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_17" atomSubType="1" namingSystem="MSD" atomName="3HOP">
    <sysName>3HOP</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_18" atomSubType="1" namingSystem="PDB" atomName="C1*">
    <sysName>C1*</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_19" atomSubType="1" namingSystem="MSD" atomName="C1*">
    <sysName>C1*</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_20" atomSubType="1" namingSystem="PDB" atomName="C2">
    <sysName>C2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_21" atomSubType="1" namingSystem="MSD" atomName="C2">
    <sysName>C2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_22" atomSubType="1" namingSystem="PDB" atomName="C2*">
    <sysName>C2*</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_23" atomSubType="1" namingSystem="MSD" atomName="C2*">
    <sysName>C2*</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_24" atomSubType="1" namingSystem="PDB" atomName="C3*">
    <sysName>C3*</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_25" atomSubType="1" namingSystem="MSD" atomName="C3*">
    <sysName>C3*</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_26" atomSubType="1" namingSystem="PDB" atomName="C4">
    <sysName>C4</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_27" atomSubType="1" namingSystem="MSD" atomName="C4">
    <sysName>C4</sysName>
  </ChemAtomSysName>
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    <sysName>C4*</sysName>
  </ChemAtomSysName>
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    <sysName>C4*</sysName>
  </ChemAtomSysName>
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    <sysName>C5</sysName>
  </ChemAtomSysName>
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    <sysName>C5</sysName>
  </ChemAtomSysName>
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    <sysName>C5*</sysName>
  </ChemAtomSysName>
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    <sysName>C5*</sysName>
  </ChemAtomSysName>
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    <sysName>C6</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_35" atomSubType="1" namingSystem="MSD" atomName="C6">
    <sysName>C6</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_36" atomSubType="1" namingSystem="PDB" atomName="C6*">
    <sysName>C6*</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_37" atomSubType="1" namingSystem="MSD" atomName="C6*">
    <sysName>C6*</sysName>
  </ChemAtomSysName>
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    <sysName>C7*</sysName>
  </ChemAtomSysName>
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    <sysName>C7*</sysName>
  </ChemAtomSysName>
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    <sysName>C8</sysName>
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    <sysName>C8</sysName>
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    <sysName>H1*</sysName>
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    <sysName>H1*</sysName>
  </ChemAtomSysName>
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    <sysName>H2</sysName>
  </ChemAtomSysName>
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    <sysName>H2</sysName>
  </ChemAtomSysName>
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    <sysName>H3*</sysName>
  </ChemAtomSysName>
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    <sysName>H3*</sysName>
  </ChemAtomSysName>
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    <sysName>H3T</sysName>
  </ChemAtomSysName>
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    <sysName>H3T</sysName>
  </ChemAtomSysName>
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    <sysName>H4*</sysName>
  </ChemAtomSysName>
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    <sysName>H4*</sysName>
  </ChemAtomSysName>
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    <sysName>H6*</sysName>
  </ChemAtomSysName>
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    <sysName>H6*</sysName>
  </ChemAtomSysName>
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    <sysName>H7*</sysName>
  </ChemAtomSysName>
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    <sysName>H7*</sysName>
  </ChemAtomSysName>
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    <sysName>H8</sysName>
  </ChemAtomSysName>
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    <sysName>H8</sysName>
  </ChemAtomSysName>
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    <sysName>N1</sysName>
  </ChemAtomSysName>
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    <sysName>N1</sysName>
  </ChemAtomSysName>
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    <sysName>N3</sysName>
  </ChemAtomSysName>
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    <sysName>N3</sysName>
  </ChemAtomSysName>
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    <sysName>N6</sysName>
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    <sysName>N6</sysName>
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    <sysName>N7</sysName>
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    <sysName>N7</sysName>
  </ChemAtomSysName>
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    <sysName>N9</sysName>
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    <sysName>N9</sysName>
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    <sysName>O1P</sysName>
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    <sysName>O1P</sysName>
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    <sysName>O2P</sysName>
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    <sysName>O2P</sysName>
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    <sysName>O3*</sysName>
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    <chemAtoms _IDREF="_106"/>
  </ChemBond>
  <ChemBond _ID="_107" bondType="single">
    <chemAtoms _IDREF="_108"/>
    <chemAtoms _IDREF="_106"/>
  </ChemBond>
  <ChemBond _ID="_109" bondType="single">
    <chemAtoms _IDREF="_139"/>
    <chemAtoms _IDREF="_108"/>
  </ChemBond>
  <ChemBond _ID="_110" bondType="single">
    <chemAtoms _IDREF="_108"/>
    <chemAtoms _IDREF="_155"/>
  </ChemBond>
  <ChemBond _ID="_113" bondType="aromatic">
    <chemAtoms _IDREF="_147"/>
    <chemAtoms _IDREF="_112"/>
  </ChemBond>
  <ChemBond _ID="_111" bondType="single">
    <chemAtoms _IDREF="_108"/>
    <chemAtoms _IDREF="_116"/>
  </ChemBond>
  <ChemBond _ID="_117" bondType="single">
    <chemAtoms _IDREF="_128"/>
    <chemAtoms _IDREF="_116"/>
  </ChemBond>
  <ChemBond _ID="_118" bondType="single">
    <chemAtoms _IDREF="_142"/>
    <chemAtoms _IDREF="_116"/>
  </ChemBond>
  <ChemBond _ID="_114" bondType="aromatic">
    <chemAtoms _IDREF="_112"/>
    <chemAtoms _IDREF="_120"/>
  </ChemBond>
  <ChemBond _ID="_84" bondType="single">
    <chemAtoms _IDREF="_83"/>
    <chemAtoms _IDREF="_123"/>
  </ChemBond>
  <ChemBond _ID="_90" bondType="single">
    <chemAtoms _IDREF="_123"/>
    <chemAtoms _IDREF="_89"/>
  </ChemBond>
  <ChemBond _ID="_119" bondType="single">
    <chemAtoms _IDREF="_123"/>
    <chemAtoms _IDREF="_116"/>
  </ChemBond>
  <ChemBond _ID="_121" bondType="aromatic">
    <chemAtoms _IDREF="_125"/>
    <chemAtoms _IDREF="_120"/>
  </ChemBond>
  <ChemBond _ID="_126" bondType="aromatic">
    <chemAtoms _IDREF="_146"/>
    <chemAtoms _IDREF="_125"/>
  </ChemBond>
  <ChemBond _ID="_127" bondType="single">
    <chemAtoms _IDREF="_148"/>
    <chemAtoms _IDREF="_125"/>
  </ChemBond>
  <ChemBond _ID="_129" bondType="double">
    <chemAtoms _IDREF="_128"/>
    <chemAtoms _IDREF="_131"/>
  </ChemBond>
  <ChemBond _ID="_130" bondType="single">
    <chemAtoms _IDREF="_143"/>
    <chemAtoms _IDREF="_128"/>
  </ChemBond>
  <ChemBond _ID="_101" bondType="single">
    <chemAtoms _IDREF="_131"/>
    <chemAtoms _IDREF="_97"/>
  </ChemBond>
  <ChemBond _ID="_132" bondType="single">
    <chemAtoms _IDREF="_144"/>
    <chemAtoms _IDREF="_131"/>
  </ChemBond>
  <ChemBond _ID="_134" bondType="single">
    <chemAtoms _IDREF="_145"/>
    <chemAtoms _IDREF="_133"/>
  </ChemBond>
  <ChemBond _ID="_135" bondType="aromatic">
    <chemAtoms _IDREF="_149"/>
    <chemAtoms _IDREF="_133"/>
  </ChemBond>
  <ChemBond _ID="_105" bondType="aromatic">
    <chemAtoms _IDREF="_147"/>
    <chemAtoms _IDREF="_102"/>
  </ChemBond>
  <ChemBond _ID="_86" bondType="single">
    <chemAtoms _IDREF="_148"/>
    <chemAtoms _IDREF="_85"/>
  </ChemBond>
  <ChemBond _ID="_92" bondType="single">
    <chemAtoms _IDREF="_148"/>
    <chemAtoms _IDREF="_91"/>
  </ChemBond>
  <ChemBond _ID="_122" bondType="aromatic">
    <chemAtoms _IDREF="_149"/>
    <chemAtoms _IDREF="_120"/>
  </ChemBond>
  <ChemBond _ID="_115" bondType="aromatic">
    <chemAtoms _IDREF="_150"/>
    <chemAtoms _IDREF="_112"/>
  </ChemBond>
  <ChemBond _ID="_136" bondType="aromatic">
    <chemAtoms _IDREF="_150"/>
    <chemAtoms _IDREF="_133"/>
  </ChemBond>
  <ChemBond _ID="_94" bondType="single">
    <chemAtoms _IDREF="_93"/>
    <chemAtoms _IDREF="_153"/>
  </ChemBond>
  <ChemBond _ID="_141" bondType="single">
    <chemAtoms _IDREF="_140"/>
    <chemAtoms _IDREF="_155"/>
  </ChemBond>
  <ChemBond _ID="_96" bondType="single">
    <chemAtoms _IDREF="_95"/>
    <chemAtoms _IDREF="_156"/>
  </ChemBond>
  <ChemBond _ID="_124" bondType="single">
    <chemAtoms _IDREF="_123"/>
    <chemAtoms _IDREF="_158"/>
  </ChemBond>
  <ChemBond _ID="_152" bondType="double">
    <chemAtoms _IDREF="_160"/>
    <chemAtoms _IDREF="_151"/>
  </ChemBond>
  <ChemBond _ID="_154" bondType="single">
    <chemAtoms _IDREF="_153"/>
    <chemAtoms _IDREF="_160"/>
  </ChemBond>
  <ChemBond _ID="_157" bondType="single">
    <chemAtoms _IDREF="_156"/>
    <chemAtoms _IDREF="_160"/>
  </ChemBond>
  <ChemBond _ID="_159" bondType="single">
    <chemAtoms _IDREF="_158"/>
    <chemAtoms _IDREF="_160"/>
  </ChemBond>
  <ChemCompVar _ID="_82" isDefaultVar="true" formalCharge="0" isParamagnetic="false" isAromatic="true" linking="none">
    <descriptor>neutral</descriptor>
    <chemAtoms _IDREF="_97"/>
    <chemAtoms _IDREF="_140"/>
    <chemAtoms _IDREF="_80"/>
    <chemAtoms _IDREF="_156"/>
    <chemAtoms _IDREF="_131"/>
    <chemAtoms _IDREF="_123"/>
    <chemAtoms _IDREF="_151"/>
    <chemAtoms _IDREF="_144"/>
    <chemAtoms _IDREF="_139"/>
    <chemAtoms _IDREF="_108"/>
    <chemAtoms _IDREF="_133"/>
    <chemAtoms _IDREF="_148"/>
    <chemAtoms _IDREF="_102"/>
    <chemAtoms _IDREF="_125"/>
    <chemAtoms _IDREF="_120"/>
    <chemAtoms _IDREF="_112"/>
    <chemAtoms _IDREF="_83"/>
    <chemAtoms _IDREF="_91"/>
    <chemAtoms _IDREF="_150"/>
    <chemAtoms _IDREF="_137"/>
    <chemAtoms _IDREF="_143"/>
    <chemAtoms _IDREF="_128"/>
    <chemAtoms _IDREF="_153"/>
    <chemAtoms _IDREF="_87"/>
    <chemAtoms _IDREF="_106"/>
    <chemAtoms _IDREF="_146"/>
    <chemAtoms _IDREF="_147"/>
    <chemAtoms _IDREF="_116"/>
    <chemAtoms _IDREF="_149"/>
    <chemAtoms _IDREF="_95"/>
    <chemAtoms _IDREF="_158"/>
    <chemAtoms _IDREF="_145"/>
    <chemAtoms _IDREF="_89"/>
    <chemAtoms _IDREF="_160"/>
    <chemAtoms _IDREF="_138"/>
    <chemAtoms _IDREF="_93"/>
    <chemAtoms _IDREF="_142"/>
    <chemAtoms _IDREF="_85"/>
    <chemAtoms _IDREF="_155"/>
  </ChemCompVar>
</NonStdChemComp>

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

