PC-Compounds ::= {
  {
    id {
      id cid 31335
    },
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        5,
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        7,
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        c,
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        h,
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        h,
        h,
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      }
    },
    bonds {
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      },
      order {
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        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
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        type {
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        },
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          11,
          12,
          13,
          14,
          15,
          16,
          17
        },
        conformers {
          {
            x {
              { -31353, 10, -4 },
              { 19773, 10, -4 },
              { -7126, 10, -4 },
              { -10899, 10, -4 },
              { 7567, 10, -4 },
              { -12784, 10, -4 },
              { 10228, 10, -4 },
              { -4183, 10, -4 },
              { 17401, 10, -4 },
              { 17408, 10, -4 },
              { -6033, 10, -4 },
              { 1194, 10, -3 },
              { 27479, 10, -4 },
              { 18314, 10, -4 },
              { 18321, 10, -4 },
              { 27485, 10, -4 },
              { 11952, 10, -4 }
            },
            y {
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              { 20363, 10, -4 },
              { -23043, 10, -4 },
              { 22871, 10, -4 },
              { 8394, 10, -4 },
              { -41, 10, -3 },
              { -5852, 10, -4 },
              { -11155, 10, -4 },
              { -10436, 10, -4 },
              { -10442, 10, -4 },
              { 11636, 10, -4 },
              { -7367, 10, -4 },
              { -6193, 10, -4 },
              { -21352, 10, -4 },
              { -21357, 10, -4 },
              { -6198, 10, -4 },
              { -7377, 10, -4 }
            },
            z {
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              { -6, 10, -4 },
              { -4, 10, -4 },
              { 1, 10, -4 },
              { 5, 10, -4 },
              { 3, 10, -4 },
              { 1, 10, -4 },
              { 3, 10, -4 },
              { -12665, 10, -4 },
              { 12662, 10, -4 },
              { 2, 10, -4 },
              { -21664, 10, -4 },
              { -13308, 10, -4 },
              { -12966, 10, -4 },
              { 12957, 10, -4 },
              { 13301, 10, -4 },
              { 21664, 10, -4 }
            },
            data {
              {
                urn {
                  label "Conformer",
                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "00007A6700000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 212462, 10, -4 }
              },
              {
                urn {
                  label "Feature",
                  name "Self Overlap",
                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 20297, 10, -3 }
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              {
                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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                  "21040471 1 18266459991266498561",
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                }
              },
              {
                urn {
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                  release "2012.01.18"
                },
                value fvec {
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                  { 232, 10, -2 },
                  { 91, 10, -2 },
                  { 212, 10, -2 },
                  { 62, 10, -2 },
                  { 0, 10, 0 },
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                  { 0, 10, 0 }
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              },
              {
                urn {
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                  software "PubChem",
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                },
                value fval { 411275, 10, -3 }
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              {
                urn {
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                  release "2012.01.18"
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        data {
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          {
            urn {
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              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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      },
      {
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          source "ncbi.nlm.nih.gov",
          release "2012.01.18"
        },
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      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
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          "3 7 9 10 hydrophobe",
          "5 5 6 7 8 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 1
    }
  }
}