PC-Compound ::= {
  id {
    id cid 7892
  },
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    }
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    order {
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      single,
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      single,
      single,
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    }
  },
  coords {
    {
      type {
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      },
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      },
      conformers {
        {
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            { 3009, 10, -4 },
            { 1474, 10, -3 },
            { -1275, 10, -3 },
            { -22254, 10, -4 },
            { 27957, 10, -4 },
            { -10872, 10, -4 },
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            { 309, 10, -3 },
            { 1363, 10, -3 },
            { 15129, 10, -4 },
            { -6147, 10, -4 },
            { -11047, 10, -4 },
            { -22993, 10, -4 },
            { -22764, 10, -4 },
            { -31839, 10, -4 },
            { -21004, 10, -4 },
            { 27976, 10, -4 },
            { 29852, 10, -4 },
            { 36218, 10, -4 }
          },
          y {
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            { -5615, 10, -4 },
            { 3245, 10, -4 },
            { 13924, 10, -4 },
            { -9195, 10, -4 },
            { -2154, 10, -4 },
            { 328, 10, -4 },
            { -15671, 10, -4 },
            { -6731, 10, -4 },
            { 13416, 10, -4 },
            { 3905, 10, -4 },
            { 2118, 10, -3 },
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            { -19315, 10, -4 },
            { -2532, 10, -4 },
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          z {
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            { -3144, 10, -4 },
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            { -14304, 10, -4 },
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            { 728, 10, -4 },
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          data {
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                version "2.1",
                software "PubChem",
                source "ncbi.nlm.nih.gov",
                release "2009.12.11"
              },
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            {
              urn {
                label "Energy",
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                source "openeye.com",
                release "2012.01.18"
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            },
            {
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                label "Feature",
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                datatype double,
                version "2.1",
                software "PubChem",
                source "ncbi.nlm.nih.gov",
                release "2012.01.18"
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              value fval { 10149, 10, -3 }
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            {
              urn {
                label "Fingerprint",
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                version "2.1",
                software "PubChem",
                source "ncbi.nlm.nih.gov",
                release "2012.11.26"
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              }
            },
            {
              urn {
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                release "2012.01.18"
              },
              value fvec {
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            {
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                software "PubChem",
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                release "2012.01.18"
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            {
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                label "Shape",
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                release "2012.01.18"
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      data {
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          urn {
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            datatype double,
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          },
          value fval { 4, 10, -1 }
        },
        {
          urn {
            label "Diverse Conformer",
            name "ID List",
            datatype uintvec,
            release "2010.05.05"
          },
          value ivec {
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          }
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      }
    }
  },
  props {
    {
      urn {
        label "Charge",
        name "MMFF94 Partial",
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        software "OEChem",
        source "openeye.com",
        release "2012.05.21"
      },
      value slist {
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    {
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        source "ncbi.nlm.nih.gov",
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      },
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    {
      urn {
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        datatype stringlist,
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        software "OEShape",
        source "openeye.com",
        release "2012.05.21"
      },
      value slist {
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        "3 1 4 5 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
  }
}