PC-Compound ::= {
  id {
    id cid 6917
  },
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      2,
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      6,
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    element {
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    }
  },
  bonds {
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    },
    order {
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      single,
      single,
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    }
  },
  coords {
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      type {
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        units-angstroms
      },
      aid {
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        6,
        7,
        8,
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        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17
      },
      conformers {
        {
          x {
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            { 3943, 10, -4 },
            { -13316, 10, -4 },
            { 1224, 10, -4 },
            { -19334, 10, -4 },
            { -774, 10, -3 },
            { 16581, 10, -4 },
            { 27496, 10, -4 },
            { -18368, 10, -4 },
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            { 7467, 10, -4 },
            { -22567, 10, -4 },
            { -2764, 10, -3 },
            { 17443, 10, -4 },
            { 37281, 10, -4 },
            { 27381, 10, -4 }
          },
          y {
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            { -162, 10, -4 },
            { 15123, 10, -4 },
            { 13931, 10, -4 },
            { 1734, 10, -4 },
            { -7846, 10, -4 },
            { -523, 10, -3 },
            { 2451, 10, -4 },
            { 23648, 10, -4 },
            { 16283, 10, -4 },
            { 16773, 10, -4 },
            { 20116, 10, -4 },
            { 178, 10, -3 },
            { -1128, 10, -4 },
            { -16015, 10, -4 },
            { -2226, 10, -4 },
            { 13252, 10, -4 }
          },
          z {
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            { -225, 10, -4 },
            { 2483, 10, -4 },
            { -1648, 10, -4 },
            { -1568, 10, -4 },
            { -104, 10, -4 },
            { 319, 10, -4 },
            { 169, 10, -4 },
            { -214, 10, -3 },
            { 13373, 10, -4 },
            { -12132, 10, -4 },
            { 4868, 10, -4 },
            { -12024, 10, -4 },
            { 4928, 10, -4 },
            { 1061, 10, -4 },
            { 723, 10, -4 },
            { -584, 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 "00001B0500000001"
            },
            {
              urn {
                label "Energy",
                name "MMFF94 NoEstat",
                datatype double,
                version "1.6.0",
                software "Szybki",
                source "openeye.com",
                release "2012.01.18"
              },
              value fval { 142342, 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 { 10148, 10, -3 }
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            {
              urn {
                label "Fingerprint",
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                datatype stringlist,
                version "2.1",
                software "PubChem",
                source "ncbi.nlm.nih.gov",
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                "23552449 1 18340484581589180520",
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            },
            {
              urn {
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                software "OEShape",
                source "openeye.com",
                release "2012.01.18"
              },
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                { 61, 10, -2 },
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                { 31, 10, -2 },
                { 0, 10, 0 },
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                { -1, 10, -2 },
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                { -6, 10, -2 }
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            {
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                version "2.1",
                software "PubChem",
                source "ncbi.nlm.nih.gov",
                release "2012.01.18"
              },
              value fval { 306493, 10, -3 }
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            {
              urn {
                label "Shape",
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                version "1.8.1",
                software "OEShape",
                source "openeye.com",
                release "2012.01.18"
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      data {
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        {
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            3
          }
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    }
  },
  props {
    {
      urn {
        label "Charge",
        name "MMFF94 Partial",
        datatype stringlist,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.05.21"
      },
      value slist {
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        "16 0.15",
        "17 0.15",
        "2 -0.47",
        "4 0.3",
        "5 0.06",
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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 "1.8.1",
        software "OEShape",
        source "openeye.com",
        release "2012.05.21"
      },
      value slist {
        "2",
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        "5 2 3 4 5 6 rings"
      }
    }
  },
  count {
    heavy-atom 8,
    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
  }
}