PC-Compounds ::= {
  {
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    },
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      }
    },
    bonds {
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        2,
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        3,
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      },
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        double,
        single,
        single,
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        double,
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        double,
        single,
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      }
    },
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        },
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          10,
          11,
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        },
        conformers {
          {
            x {
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              { 24284, 10, -4 },
              { 3007, 10, -4 },
              { -3708, 10, -4 },
              { -4224, 10, -4 },
              { -17653, 10, -4 },
              { -1817, 10, -3 },
              { -24884, 10, -4 },
              { 17546, 10, -4 },
              { 1247, 10, -4 },
              { 776, 10, -4 },
              { -22894, 10, -4 },
              { -23805, 10, -4 },
              { -35742, 10, -4 },
              { 20004, 10, -4 },
              { 34437, 10, -4 }
            },
            y {
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              { 11615, 10, -4 },
              { -255, 10, -4 },
              { 11971, 10, -4 },
              { -12184, 10, -4 },
              { 12271, 10, -4 },
              { -11884, 10, -4 },
              { 343, 10, -4 },
              { -565, 10, -4 },
              { 21605, 10, -4 },
              { -21834, 10, -4 },
              { 21785, 10, -4 },
              { -21169, 10, -4 },
              { 575, 10, -4 },
              { 20781, 10, -4 },
              { 11668, 10, -4 }
            },
            z {
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              { 25, 10, -4 },
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              { -19, 10, -4 },
              { 45, 10, -4 },
              { -3, 10, -3 },
              { 7, 10, -3 },
              { -62, 10, -4 },
              { 29, 10, -4 },
              { -37, 10, -4 },
              { 84, 10, -4 },
              { -32, 10, -4 }
            },
            data {
              {
                urn {
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                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "0000091B00000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 257631, 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 { 15223, 10, -3 }
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              {
                urn {
                  label "Fingerprint",
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                  version "2.1",
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                  "369184 2 18411135835735669539",
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              },
              {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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              },
              {
                urn {
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                  release "2012.01.18"
                },
                value fval { 36439, 10, -2 }
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              {
                urn {
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                  release "2012.01.18"
                },
                value fval { 988, 10, -1 }
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        data {
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            urn {
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      {
        urn {
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "11 0.15",
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      },
      {
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          release "2012.01.18"
        },
        value fval { 1, 10, 0 }
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      {
        urn {
          label "Features",
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          datatype stringlist,
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "6 3 4 5 6 7 8 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 2
    }
  }
}