PC-Compounds ::= {
  {
    id {
      id cid 11568
    },
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        4,
        5,
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      }
    },
    bonds {
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        1,
        2,
        2,
        2,
        3,
        3,
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        4,
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        single,
        single,
        double,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
          12,
          13,
          14,
          15
        },
        conformers {
          {
            x {
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              { 24366, 10, -4 },
              { 12068, 10, -4 },
              { 72, 10, -4 },
              { -12091, 10, -4 },
              { 119, 10, -2 },
              { -12256, 10, -4 },
              { -261, 10, -4 },
              { 134, 10, -4 },
              { 2118, 10, -3 },
              { -21663, 10, -4 },
              { -39, 10, -3 },
              { 33066, 10, -4 },
              { 24496, 10, -4 },
              { -31202, 10, -4 }
            },
            y {
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              { 10258, 10, -4 },
              { 3356, 10, -4 },
              { 10475, 10, -4 },
              { 3644, 10, -4 },
              { -10593, 10, -4 },
              { -10304, 10, -4 },
              { -17422, 10, -4 },
              { 2135, 10, -3 },
              { -16254, 10, -4 },
              { -15744, 10, -4 },
              { -28283, 10, -4 },
              { 5101, 10, -4 },
              { 2037, 10, -3 },
              { 4277, 10, -4 }
            },
            z {
              { 1, 10, -4 },
              { 0, 10, 0 },
              { 0, 10, 0 },
              { 0, 10, 0 },
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              { 0, 10, 0 },
              { -1, 10, -4 },
              { 0, 10, 0 },
              { 0, 10, 0 },
              { 1, 10, -4 },
              { 0, 10, 0 },
              { 1, 10, -4 },
              { 6, 10, -4 },
              { 5, 10, -4 },
              { 5, 10, -4 }
            },
            data {
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                  name "ID",
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "00002D3000000001"
              },
              {
                urn {
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                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 281355, 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 }
              },
              {
                urn {
                  label "Fingerprint",
                  name "Shape",
                  datatype stringlist,
                  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"
                },
                value fvec {
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                  { 59, 10, -2 },
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              {
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                  software "PubChem",
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                value fval { 319667, 10, -3 }
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              {
                urn {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 881, 10, -1 }
              }
            }
          }
        },
        data {
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          },
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              datatype uintvec,
              release "2010.05.05"
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            value ivec {
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    },
    props {
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          source "openeye.com",
          release "2012.11.26"
        },
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      },
      {
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          source "ncbi.nlm.nih.gov",
          release "2012.01.18"
        },
        value fval { 0, 10, 0 }
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      {
        urn {
          label "Features",
          name "Pharmacophore",
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
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          "1 2 donor",
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        }
      }
    },
    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 9
    }
  }
}