PC-Compounds ::= {
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    },
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      }
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        },
        conformers {
          {
            x {
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              { -31163, 10, -4 },
              { 646, 10, -3 },
              { -6714, 10, -4 },
              { 18878, 10, -4 },
              { -18718, 10, -4 },
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              { -18544, 10, -4 },
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              { -31366, 10, -4 },
              { -31485, 10, -4 }
            },
            y {
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              { -4103, 10, -4 },
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              { 5361, 10, -4 },
              { 10221, 10, -4 },
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              { -10528, 10, -4 },
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              { -8087, 10, -4 }
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            data {
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                urn {
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                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "0000041500000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
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                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { -68619, 10, -4 }
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              {
                urn {
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                  version "2.1",
                  software "PubChem",
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                  release "2012.01.18"
                },
                value fval { 20297, 10, -3 }
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                  datatype stringlist,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
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              {
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                  software "OEShape",
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              },
              {
                urn {
                  label "Shape",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 190929, 10, -3 }
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              {
                urn {
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                  version "1.8.1",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
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                value fval { 751, 10, -1 }
              }
            }
          }
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        data {
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          {
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    props {
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        urn {
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          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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      {
        urn {
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          datatype stringlist,
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "1 2 cation",
          "1 2 donor"
        }
      }
    },
    count {
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      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}