<?xml version="1.0" encoding="UTF-8"?>
<_StorageUnit time="Wed Aug  8 14:02:56 2007" release="1.1.a3" 
 packageName="ccp.molecule.ChemComp" root="project" originator="CCPN Python XmlIO">
 
<parent>
  <key1 tag="molType">other</key1>
  <key2 tag="ccpCode">HSW</key2>
</parent>

<NonStdChemComp _ID="_1" molType="other" ccpCode="HSW" cifCode="HSW">
  <name>N-hydroxysulfamide</name>
  <ChemAtomSet _ID="_2" subType="1" isEquivalent="false" isProchiral="false" distCorr="0.0" name="HN1_*">
    <chemAtoms _IDREF="_3"/>
    <chemAtoms _IDREF="_4"/>
  </ChemAtomSet>
  <ChemAtomSysName _ID="_5" atomSubType="1" namingSystem="PDB" atomName="HN1_1">
    <sysName>1HN1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_6" atomSubType="1" namingSystem="MSD" atomName="HN1_1">
    <sysName>HN1_1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_7" atomSubType="1" namingSystem="PDB" atomName="HN1_2">
    <sysName>2HN1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_8" atomSubType="1" namingSystem="MSD" atomName="HN1_2">
    <sysName>HN1_2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_9" atomSubType="1" namingSystem="PDB" atomName="HN2">
    <sysName>HN2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_10" atomSubType="1" namingSystem="MSD" atomName="HN2">
    <sysName>HN2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_11" atomSubType="1" namingSystem="PDB" atomName="HO3">
    <sysName>HO3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_12" atomSubType="1" namingSystem="MSD" atomName="HO3">
    <sysName>HO3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_13" atomSubType="1" namingSystem="PDB" atomName="N1">
    <sysName>N1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_14" atomSubType="1" namingSystem="MSD" atomName="N1">
    <sysName>N1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_15" atomSubType="1" namingSystem="PDB" atomName="N2">
    <sysName>N2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_16" atomSubType="1" namingSystem="MSD" atomName="N2">
    <sysName>N2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_17" atomSubType="1" namingSystem="PDB" atomName="O1">
    <sysName>O1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_18" atomSubType="1" namingSystem="MSD" atomName="O1">
    <sysName>O1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_19" atomSubType="1" namingSystem="PDB" atomName="O2">
    <sysName>O2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_20" atomSubType="1" namingSystem="MSD" atomName="O2">
    <sysName>O2</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_21" atomSubType="1" namingSystem="PDB" atomName="O3">
    <sysName>O3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_22" atomSubType="1" namingSystem="MSD" atomName="O3">
    <sysName>O3</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_23" atomSubType="1" namingSystem="PDB" atomName="S1">
    <sysName>S1</sysName>
  </ChemAtomSysName>
  <ChemAtomSysName _ID="_24" atomSubType="1" namingSystem="MSD" atomName="S1">
    <sysName>S1</sysName>
  </ChemAtomSysName>
  <ChemAtomSetSysName _ID="_25" atomSubType="1" namingSystem="MSD" atomName="HN1_*">
    <sysName>HN1_*</sysName>
  </ChemAtomSetSysName>
  <ChemAtom _ID="_4" waterExchangeable="false" subType="1" elementSymbol="H" name="HN1_1" chemAtomSet="_2">
    <chemBonds _IDREF="_26"/>
    <chemCompVars _IDREF="_27"/>
  </ChemAtom>
  <ChemAtom _ID="_3" waterExchangeable="false" subType="1" elementSymbol="H" name="HN1_2" chemAtomSet="_2">
    <chemBonds _IDREF="_28"/>
    <chemCompVars _IDREF="_27"/>
  </ChemAtom>
  <ChemAtom _ID="_29" waterExchangeable="false" subType="1" elementSymbol="H" name="HN2">
    <chemBonds _IDREF="_30"/>
    <chemCompVars _IDREF="_27"/>
  </ChemAtom>
  <ChemAtom _ID="_31" waterExchangeable="false" subType="1" elementSymbol="H" name="HO3">
    <chemBonds _IDREF="_32"/>
    <chemCompVars _IDREF="_27"/>
  </ChemAtom>
  <ChemAtom _ID="_33" waterExchangeable="false" subType="1" elementSymbol="N" name="N1">
    <chemBonds _IDREF="_26"/>
    <chemBonds _IDREF="_28"/>
    <chemBonds _IDREF="_34"/>
    <chemCompVars _IDREF="_27"/>
  </ChemAtom>
  <ChemAtom _ID="_35" waterExchangeable="false" subType="1" elementSymbol="N" name="N2">
    <chemBonds _IDREF="_30"/>
    <chemBonds _IDREF="_36"/>
    <chemBonds _IDREF="_37"/>
    <chemCompVars _IDREF="_27"/>
  </ChemAtom>
  <ChemAtom _ID="_38" waterExchangeable="false" subType="1" elementSymbol="O" name="O1">
    <chemBonds _IDREF="_39"/>
    <chemCompVars _IDREF="_27"/>
  </ChemAtom>
  <ChemAtom _ID="_40" waterExchangeable="false" subType="1" elementSymbol="O" name="O2">
    <chemBonds _IDREF="_41"/>
    <chemCompVars _IDREF="_27"/>
  </ChemAtom>
  <ChemAtom _ID="_42" waterExchangeable="false" subType="1" elementSymbol="O" name="O3">
    <chemBonds _IDREF="_32"/>
    <chemBonds _IDREF="_37"/>
    <chemCompVars _IDREF="_27"/>
  </ChemAtom>
  <ChemAtom _ID="_43" waterExchangeable="false" subType="1" elementSymbol="S" name="S1">
    <chemBonds _IDREF="_36"/>
    <chemBonds _IDREF="_34"/>
    <chemBonds _IDREF="_39"/>
    <chemBonds _IDREF="_41"/>
    <chemCompVars _IDREF="_27"/>
  </ChemAtom>
  <ChemBond _ID="_26" bondType="single">
    <chemAtoms _IDREF="_4"/>
    <chemAtoms _IDREF="_33"/>
  </ChemBond>
  <ChemBond _ID="_28" bondType="single">
    <chemAtoms _IDREF="_3"/>
    <chemAtoms _IDREF="_33"/>
  </ChemBond>
  <ChemBond _ID="_30" bondType="single">
    <chemAtoms _IDREF="_35"/>
    <chemAtoms _IDREF="_29"/>
  </ChemBond>
  <ChemBond _ID="_36" bondType="single">
    <chemAtoms _IDREF="_35"/>
    <chemAtoms _IDREF="_43"/>
  </ChemBond>
  <ChemBond _ID="_32" bondType="single">
    <chemAtoms _IDREF="_42"/>
    <chemAtoms _IDREF="_31"/>
  </ChemBond>
  <ChemBond _ID="_37" bondType="single">
    <chemAtoms _IDREF="_35"/>
    <chemAtoms _IDREF="_42"/>
  </ChemBond>
  <ChemBond _ID="_34" bondType="single">
    <chemAtoms _IDREF="_33"/>
    <chemAtoms _IDREF="_43"/>
  </ChemBond>
  <ChemBond _ID="_39" bondType="double">
    <chemAtoms _IDREF="_38"/>
    <chemAtoms _IDREF="_43"/>
  </ChemBond>
  <ChemBond _ID="_41" bondType="double">
    <chemAtoms _IDREF="_40"/>
    <chemAtoms _IDREF="_43"/>
  </ChemBond>
  <ChemCompVar _ID="_27" isDefaultVar="true" formalCharge="0" isParamagnetic="false" isAromatic="false" linking="none">
    <descriptor>neutral</descriptor>
    <stereoSmiles>NS(=O)(=O)NO</stereoSmiles>
    <chemAtoms _IDREF="_3"/>
    <chemAtoms _IDREF="_4"/>
    <chemAtoms _IDREF="_43"/>
    <chemAtoms _IDREF="_29"/>
    <chemAtoms _IDREF="_31"/>
    <chemAtoms _IDREF="_33"/>
    <chemAtoms _IDREF="_35"/>
    <chemAtoms _IDREF="_42"/>
    <chemAtoms _IDREF="_40"/>
    <chemAtoms _IDREF="_38"/>
  </ChemCompVar>
</NonStdChemComp>

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

