PC-Compounds ::= {
  {
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      id cid 57028399
    },
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      }
    },
    bonds {
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      },
      order {
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
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      }
    },
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        },
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          6,
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          10,
          11,
          12,
          13,
          14,
          15,
          16
        },
        conformers {
          {
            x {
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              { 21486, 10, -4 },
              { 82, 10, -3 },
              { -21101, 10, -4 },
              { -7445, 10, -4 },
              { -21174, 10, -4 },
              { -7395, 10, -4 },
              { 14612, 10, -4 },
              { -3752, 10, -4 },
              { -7084, 10, -4 },
              { -29249, 10, -4 },
              { -22515, 10, -4 },
              { -4092, 10, -4 },
              { -6479, 10, -4 },
              { -22554, 10, -4 },
              { 29996, 10, -4 }
            },
            y {
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              { 10737, 10, -4 },
              { 235, 10, -4 },
              { -7026, 10, -4 },
              { 12058, 10, -4 },
              { 6897, 10, -4 },
              { -11686, 10, -4 },
              { 589, 10, -4 },
              { 19905, 10, -4 },
              { 15632, 10, -4 },
              { 12771, 10, -4 },
              { 6919, 10, -4 },
              { -18986, 10, -4 },
              { -16102, 10, -4 },
              { -683, 10, -3 },
              { -11382, 10, -4 }
            },
            z {
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              { 543, 10, -4 },
              { 188, 10, -4 },
              { 2137, 10, -4 },
              { 1072, 10, -4 },
              { -2687, 10, -4 },
              { -35, 10, -3 },
              { -1, 10, -4 },
              { -5593, 10, -4 },
              { 11423, 10, -4 },
              { 1774, 10, -4 },
              { -13568, 10, -4 },
              { 7105, 10, -4 },
              { -10331, 10, -4 },
              { 12241, 10, -4 },
              { -1032, 10, -4 }
            },
            data {
              {
                urn {
                  label "Conformer",
                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.02.08"
                },
                value sval "03662F2F00000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.7.2",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fval { 97044, 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 { 25371, 10, -3 }
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              {
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                  datatype stringlist,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
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              },
              {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
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              },
              {
                urn {
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value fval { 281767, 10, -3 }
              },
              {
                urn {
                  label "Shape",
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                  software "OEShape",
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                  release "2012.11.26"
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                value fval { 862, 10, -1 }
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        data {
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            urn {
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          {
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              release "2012.02.08"
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    props {
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          label "Charge",
          name "MMFF94 Partial",
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "16 0.5",
          "2 -0.57",
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          "7 0.57",
          "8 0.78"
        }
      },
      {
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          release "2012.11.26"
        },
        value fval { 2, 10, 0 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "1 4 donor",
          "3 1 2 8 anion",
          "5 3 4 5 6 7 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
    }
  }
}