PC-Compounds ::= {
  {
    id {
      id cid 119315
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
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        n,
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        c,
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        c,
        h,
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        h
      }
    },
    bonds {
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        2,
        3,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
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      },
      order {
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        single,
        double,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
        aid {
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          6,
          7,
          8,
          9,
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          11,
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          14,
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        },
        conformers {
          {
            x {
              { -6791, 10, -4 },
              { 35724, 10, -4 },
              { -9379, 10, -4 },
              { 15375, 10, -4 },
              { 16298, 10, -4 },
              { -20621, 10, -4 },
              { -32447, 10, -4 },
              { 3408, 10, -4 },
              { 4031, 10, -4 },
              { -20732, 10, -4 },
              { -834, 10, -3 },
              { 23475, 10, -4 },
              { -10739, 10, -4 },
              { -32474, 10, -4 },
              { -41444, 10, -4 }
            },
            y {
              { -25891, 10, -4 },
              { 3027, 10, -4 },
              { 14048, 10, -4 },
              { 13944, 10, -4 },
              { -944, 10, -3 },
              { -7261, 10, -4 },
              { 13062, 10, -4 },
              { 9276, 10, -4 },
              { -5477, 10, -4 },
              { 5912, 10, -4 },
              { -13745, 10, -4 },
              { 2546, 10, -4 },
              { 24117, 10, -4 },
              { 23203, 10, -4 },
              { 838, 10, -3 }
            },
            z {
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              { 5, 10, -4 },
              { 3, 10, -4 },
              { 1, 10, -4 },
              { -5, 10, -4 },
              { -6, 10, -4 },
              { 3, 10, -4 },
              { -2, 10, -4 },
              { -4, 10, -4 },
              { -1, 10, -4 },
              { -3, 10, -4 },
              { -1, 10, -4 },
              { 7, 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 "0001D21300000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.7.2",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fval { 304141, 10, -4 }
              },
              {
                urn {
                  label "Feature",
                  name "Self Overlap",
                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value fval { 51096, 10, -3 }
              },
              {
                urn {
                  label "Fingerprint",
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                  datatype stringlist,
                  version "2.1",
                  software "PubChem",
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                  release "2012.11.26"
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                  "23402655 69 18196920099238243789",
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                  "241688 4 16465581561279318683",
                  "2748010 2 18338240349349660895",
                  "5084963 1 18202564003322029811",
                  "528886 8 18410849932668925233",
                  "53812653 166 18342171154979816192",
                  "6333449 129 18340766030574508804"
                }
              },
              {
                urn {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fvec {
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              },
              {
                urn {
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                value fval { 46431, 10, -2 }
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              {
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                  release "2012.11.26"
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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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              datatype uintvec,
              release "2010.05.05"
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            value ivec {
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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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          "12 0.99",
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      },
      {
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          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 0, 10, 0 }
      },
      {
        urn {
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          datatype stringlist,
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
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        value slist {
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          "1 3 donor",
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          "1 5 acceptor",
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          "1 6 donor",
          "1 7 donor",
          "5 4 5 8 9 12 rings",
          "6 3 6 8 9 10 11 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 11
    }
  }
}