PC-Compounds ::= {
  {
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      id cid 6885
    },
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    },
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        single,
        double,
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        single,
        single,
        single,
        single,
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      }
    },
    coords {
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        },
        conformers {
          {
            x {
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              { -23135, 10, -4 },
              { 2261, 10, -4 },
              { -1696, 10, -4 },
              { -9598, 10, -4 },
              { 15687, 10, -4 },
              { -16228, 10, -4 },
              { 7307, 10, -4 },
              { 25057, 10, -4 },
              { 20888, 10, -4 },
              { -10289, 10, -4 },
              { -10295, 10, -4 },
              { 18932, 10, -4 },
              { 4043, 10, -4 },
              { 35673, 10, -4 },
              { 28317, 10, -4 }
            },
            y {
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              { 9075, 10, -4 },
              { -4145, 10, -4 },
              { 17827, 10, -4 },
              { 12376, 10, -4 },
              { -4692, 10, -4 },
              { -14636, 10, -4 },
              { 1994, 10, -4 },
              { -11428, 10, -4 },
              { 23969, 10, -4 },
              { 23956, 10, -4 },
              { 22725, 10, -4 },
              { -24973, 10, -4 },
              { 4315, 10, -4 },
              { -19357, 10, -4 }
            },
            z {
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              { -9031, 10, -4 },
              { 0, 10, 0 },
              { 2, 10, -4 },
              { 2, 10, -4 },
              { 2, 10, -4 }
            },
            data {
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                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "00001AE500000001"
              },
              {
                urn {
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                  name "MMFF94 NoEstat",
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                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 241985, 10, -4 }
              },
              {
                urn {
                  label "Feature",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 15314, 10, -3 }
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              {
                urn {
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                  version "2.1",
                  software "PubChem",
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              },
              {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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              {
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                },
                value fval { 427922, 10, -3 }
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              {
                urn {
                  label "Shape",
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        data {
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          {
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            value ivec {
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    props {
      {
        urn {
          label "Charge",
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          datatype stringlist,
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "2 -0.57",
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          "4 0.09",
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      },
      {
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      {
        urn {
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          datatype stringlist,
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          software "OEShape",
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        },
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          "6 3 4 6 8 9 10 rings"
        }
      }
    },
    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
    }
  }
}