PC-Compounds ::= {
  {
    id {
      id cid 18317848
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
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        c,
        c,
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        c,
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        h,
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      }
    },
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        3,
        3,
        4,
        5,
        5,
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      },
      order {
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        single,
        single,
        triple,
        double,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single
      }
    },
    coords {
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        type {
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        },
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          6,
          7,
          8,
          9,
          10,
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        },
        conformers {
          {
            x {
              { 9181, 10, -4 },
              { 9181, 10, -4 },
              { -34119, 10, -4 },
              { 33357, 10, -4 },
              { 739, 10, -3 },
              { -20507, 10, -4 },
              { 415, 10, -4 },
              { 416, 10, -4 },
              { -13533, 10, -4 },
              { -13533, 10, -4 },
              { 21752, 10, -4 },
              { -19104, 10, -4 },
              { -1904, 10, -3 },
              { -37279, 10, -4 }
            },
            y {
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              { -28966, 10, -4 },
              { 0, 10, 0 },
              { 0, 10, 0 },
              { 0, 10, 0 },
              { 0, 10, 0 },
              { 1208, 10, -3 },
              { -1208, 10, -3 },
              { 1208, 10, -3 },
              { -1208, 10, -3 },
              { 0, 10, 0 },
              { 21422, 10, -4 },
              { -21461, 10, -4 },
              { -9198, 10, -4 }
            },
            z {
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              { -1, 10, -4 },
              { 5, 10, -4 },
              { 2, 10, -4 },
              { 1, 10, -4 },
              { -3, 10, -4 },
              { 2, 10, -4 },
              { -2, 10, -4 },
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              { -4, 10, -4 },
              { 2, 10, -4 },
              { 2, 10, -4 },
              { -4, 10, -4 },
              { 5, 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 "0117821800000001"
              },
              {
                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 { 223767, 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 { 25371, 10, -3 }
              },
              {
                urn {
                  label "Fingerprint",
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                  datatype stringlist,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
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                  "23552423 10 17902509620848794052",
                  "241688 4 17905893578331131361",
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                  "5084963 1 18059011803780428427",
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              },
              {
                urn {
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                value fvec {
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                },
                value fval { 449869, 10, -3 }
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              {
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                  release "2012.01.18"
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                value fval { 1406, 10, -1 }
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        data {
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          name "MMFF94 Partial",
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          release "2012.11.26"
        },
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        },
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      {
        urn {
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
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          "1 3 donor",
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        }
      }
    },
    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 2
    }
  }
}