PC-Compounds ::= {
  {
    id {
      id cid 11163
    },
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        2,
        3,
        4,
        5,
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        10,
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        c,
        c,
        h,
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        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        2,
        2,
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        4,
        4,
        4,
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      },
      order {
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        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
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        single
      }
    },
    coords {
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        },
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          7,
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          16,
          17
        },
        conformers {
          {
            x {
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              { -1698, 10, -3 },
              { -32962, 10, -4 },
              { 1194, 10, -4 },
              { 35584, 10, -4 },
              { -11505, 10, -4 },
              { 11558, 10, -4 },
              { 2354, 10, -3 },
              { -2162, 10, -3 },
              { -9953, 10, -4 },
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              { 2322, 10, -4 },
              { 2235, 10, -3 },
              { 24304, 10, -4 },
              { 36446, 10, -4 },
              { 34912, 10, -4 },
              { -23743, 10, -4 }
            },
            y {
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              { 1232, 10, -3 },
              { -3376, 10, -4 },
              { 665, 10, -4 },
              { 17, 10, -3 },
              { -6217, 10, -4 },
              { -1725, 10, -4 },
              { 7121, 10, -4 },
              { 85, 10, -3 },
              { -1629, 10, -3 },
              { -6729, 10, -4 },
              { 7805, 10, -4 },
              { 16486, 10, -4 },
              { 9444, 10, -4 },
              { -8687, 10, -4 },
              { -2124, 10, -4 },
              { 16726, 10, -4 }
            },
            z {
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              { 5903, 10, -4 },
              { 2304, 10, -4 },
              { -8809, 10, -4 },
              { 1638, 10, -4 },
              { -8231, 10, -4 },
              { 97, 10, -4 },
              { -2674, 10, -4 },
              { 422, 10, -4 },
              { -4254, 10, -4 },
              { -18442, 10, -4 },
              { -15946, 10, -4 },
              { 2858, 10, -4 },
              { -13339, 10, -4 },
              { -3332, 10, -4 },
              { 11546, 10, -4 },
              { 11478, 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 "00002B9B00000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 87042, 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 { 35579, 10, -3 }
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              {
                urn {
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                  datatype stringlist,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
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                }
              },
              {
                urn {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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                  { 6, 10, -2 },
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                }
              },
              {
                urn {
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 296197, 10, -3 }
              },
              {
                urn {
                  label "Shape",
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                  software "OEShape",
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                  release "2012.01.18"
                },
                value fval { 971, 10, -1 }
              }
            }
          }
        },
        data {
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            urn {
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          {
            urn {
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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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          "16 0.36",
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          "2 -0.65",
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      },
      {
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          source "ncbi.nlm.nih.gov",
          release "2012.01.18"
        },
        value fval { 4, 10, 0 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 donor",
          "1 5 cation",
          "1 5 donor",
          "3 2 3 9 anion"
        }
      }
    },
    count {
      heavy-atom 9,
      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
    }
  }
}