PC-Compound ::= {
  id {
    id cid 8128
  },
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      2,
      3,
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      5,
      6,
      7,
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    element {
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      c,
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      h,
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      h
    }
  },
  bonds {
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      3,
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    },
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      single,
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      single,
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      single,
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    }
  },
  coords {
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      type {
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        computed,
        units-angstroms
      },
      aid {
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        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16
      },
      conformers {
        {
          x {
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            { 41798, 10, -4 },
            { -6955, 10, -4 },
            { 6954, 10, -4 },
            { -1794, 10, -3 },
            { 17945, 10, -4 },
            { -31266, 10, -4 },
            { 31267, 10, -4 },
            { -7905, 10, -4 },
            { -8185, 10, -4 },
            { 799, 10, -3 },
            { 8095, 10, -4 },
            { -16888, 10, -4 },
            { -16907, 10, -4 },
            { 16817, 10, -4 },
            { 16997, 10, -4 }
          },
          y {
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            { 3615, 10, -4 },
            { -319, 10, -3 },
            { 3173, 10, -4 },
            { 7438, 10, -4 },
            { -7444, 10, -4 },
            { 1262, 10, -4 },
            { -1256, 10, -4 },
            { -9549, 10, -4 },
            { -9753, 10, -4 },
            { 9333, 10, -4 },
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            { 13806, 10, -4 },
            { 13928, 10, -4 },
            { -13709, 10, -4 },
            { -14038, 10, -4 }
          },
          z {
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            { 13, 10, -4 },
            { -312, 10, -4 },
            { 1, 10, -2 },
            { 3, 10, -4 },
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            { 55, 10, -4 },
            { 8909, 10, -4 },
            { -8699, 10, -4 },
            { -9337, 10, -4 },
            { 8265, 10, -4 },
            { 8958, 10, -4 },
            { -8673, 10, -4 },
            { 8927, 10, -4 },
            { -8701, 10, -4 }
          },
          data {
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                label "Conformer",
                name "ID",
                datatype uint64,
                version "2.1",
                software "PubChem",
                source "ncbi.nlm.nih.gov",
                release "2009.12.11"
              },
              value sval "00001FC000000001"
            },
            {
              urn {
                label "Energy",
                name "MMFF94 NoEstat",
                datatype double,
                version "1.6.0",
                software "Szybki",
                source "openeye.com",
                release "2012.01.18"
              },
              value fval { 6299, 10, -4 }
            },
            {
              urn {
                label "Feature",
                name "Self Overlap",
                datatype double,
                version "2.1",
                software "PubChem",
                source "ncbi.nlm.nih.gov",
                release "2012.01.18"
              },
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            },
            {
              urn {
                label "Fingerprint",
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                version "2.1",
                software "PubChem",
                source "ncbi.nlm.nih.gov",
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            {
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                software "OEShape",
                source "openeye.com",
                release "2012.01.18"
              },
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            },
            {
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                software "PubChem",
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                release "2012.01.18"
              },
              value fval { 279799, 10, -3 }
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            {
              urn {
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                software "OEShape",
                source "openeye.com",
                release "2012.01.18"
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              value fval { 95, 10, 0 }
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      data {
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            label "Conformer",
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        {
          urn {
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        }
      }
    }
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  props {
    {
      urn {
        label "Charge",
        name "MMFF94 Partial",
        datatype stringlist,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
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        "7 0.36",
        "8 0.36"
      }
    },
    {
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        release "2012.01.18"
      },
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    {
      urn {
        label "Features",
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        datatype stringlist,
        parameters "ImplicitMillsDean merged",
        version "1.8.1",
        software "OEShape",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
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        "1 2 acceptor",
        "4 3 4 5 6 hydrophobe"
      }
    }
  },
  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
  }
}