PC-Compounds ::= {
  {
    id {
      id cid 213012
    },
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        2,
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        4,
        5,
        6,
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        c,
        c,
        c,
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      }
    },
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      order {
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        single,
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        single,
        single,
        single,
        single,
        double,
        double,
        single,
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      }
    },
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        },
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          8,
          9,
          10,
          11,
          12,
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          14,
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        },
        conformers {
          {
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              { -24613, 10, -4 },
              { 24284, 10, -4 },
              { 28424, 10, -4 },
              { -1677, 10, -4 },
              { -18196, 10, -4 },
              { -12438, 10, -4 },
              { 1347, 10, -4 },
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              { -2085, 10, -3 },
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              { -12221, 10, -4 },
              { -28251, 10, -4 },
              { 33899, 10, -4 }
            },
            y {
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              { -25557, 10, -4 },
              { -13196, 10, -4 },
              { -153, 10, -3 },
              { -13493, 10, -4 },
              { 25154, 10, -4 },
              { 12271, 10, -4 },
              { 10465, 10, -4 },
              { -2503, 10, -4 },
              { 1211, 10, -4 },
              { -11344, 10, -4 },
              { -5446, 10, -4 },
              { 2373, 10, -4 },
              { 33306, 10, -4 },
              { 26235, 10, -4 },
              { -15134, 10, -4 }
            },
            z {
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              { 1331, 10, -4 },
              { -9963, 10, -4 },
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              { -115, 10, -3 },
              { -477, 10, -4 },
              { -321, 10, -4 },
              { 342, 10, -4 },
              { 27, 10, -4 },
              { 672, 10, -4 },
              { 538, 10, -4 },
              { -84, 10, -4 },
              { -1508, 10, -4 },
              { -1238, 10, -4 },
              { -9756, 10, -4 }
            },
            data {
              {
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "0003401400000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
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                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 425545, 10, -4 }
              },
              {
                urn {
                  label "Feature",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
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                },
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              },
              {
                urn {
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                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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              {
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              {
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        data {
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            urn {
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            },
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          {
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              release "2010.05.05"
            },
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    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
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          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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      },
      {
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        },
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      {
        urn {
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          datatype stringlist,
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          release "2012.11.26"
        },
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        }
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    },
    count {
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      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}