PC-Compounds ::= {
  {
    id {
      id cid 14090
    },
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        2,
        3,
        4,
        5,
        6,
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        c,
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      }
    },
    bonds {
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      },
      order {
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        single,
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        single,
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        single,
        double,
        single,
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      }
    },
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        },
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          6,
          7,
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          10,
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        },
        conformers {
          {
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              { 31996, 10, -4 },
              { -846, 10, -4 },
              { -55, 10, -2 },
              { -987, 10, -3 },
              { -19179, 10, -4 },
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              { 23384, 10, -4 },
              { 1224, 10, -4 },
              { -6461, 10, -4 },
              { -22808, 10, -4 },
              { -30579, 10, -4 },
              { -38854, 10, -4 },
              { 223, 10, -2 }
            },
            y {
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              { 8441, 10, -4 },
              { -1755, 10, -4 },
              { 11376, 10, -4 },
              { -12281, 10, -4 },
              { 1398, 10, -3 },
              { -9678, 10, -4 },
              { 3454, 10, -4 },
              { -4472, 10, -4 },
              { 6718, 10, -4 },
              { 19827, 10, -4 },
              { -22586, 10, -4 },
              { 24204, 10, -4 },
              { -17873, 10, -4 },
              { 5481, 10, -4 },
              { 12654, 10, -4 }
            },
            z {
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              { -5222, 10, -4 },
              { 722, 10, -4 },
              { 1417, 10, -4 },
              { -794, 10, -4 },
              { 598, 10, -4 },
              { -1616, 10, -4 },
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              { 1581, 10, -4 },
              { 3224, 10, -4 },
              { 2556, 10, -4 },
              { -1358, 10, -4 },
              { 1129, 10, -4 },
              { -2797, 10, -4 },
              { -1562, 10, -4 },
              { 12439, 10, -4 }
            },
            data {
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                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "0000370A00000002"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
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                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 226665, 10, -4 }
              },
              {
                urn {
                  label "Feature",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
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                  release "2012.01.18"
                },
                value fval { 15226, 10, -3 }
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              {
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                  software "PubChem",
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                  "5084963 1 18127965304710296675",
                  "7364860 26 18271240509285143386"
                }
              },
              {
                urn {
                  label "Shape",
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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              {
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              {
                urn {
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        data {
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            urn {
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            },
            value fval { 4, 10, -1 }
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          {
            urn {
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              release "2010.05.05"
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        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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      },
      {
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          release "2012.01.18"
        },
        value fval { 2, 10, 0 }
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      {
        urn {
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
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        }
      }
    },
    count {
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      atom-chiral 0,
      atom-chiral-def 0,
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      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}