PC-Compounds ::= {
  {
    id {
      id cid 9845
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
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        10,
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      },
      element {
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        f,
        f,
        f,
        f,
        f,
        o,
        o,
        o,
        c,
        c,
        c,
        c
      }
    },
    bonds {
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        6,
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      },
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      },
      order {
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single
      }
    },
    coords {
      {
        type {
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        },
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          6,
          7,
          8,
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        },
        conformers {
          {
            x {
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              { 31061, 10, -4 },
              { 31088, 10, -4 },
              { -18965, 10, -4 },
              { -31052, 10, -4 },
              { -31123, 10, -4 },
              { -2, 10, -4 },
              { 13057, 10, -4 },
              { -13057, 10, -4 },
              { 23151, 10, -4 },
              { -23157, 10, -4 },
              { 11681, 10, -4 },
              { -11685, 10, -4 }
            },
            y {
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              { 1954, 10, -4 },
              { 1906, 10, -4 },
              { 16422, 10, -4 },
              { 1898, 10, -4 },
              { 1996, 10, -4 },
              { 985, 10, -4 },
              { -18235, 10, -4 },
              { -18237, 10, -4 },
              { 3521, 10, -4 },
              { 3515, 10, -4 },
              { -608, 10, -3 },
              { -6082, 10, -4 }
            },
            z {
              { -34, 10, -4 },
              { 10912, 10, -4 },
              { -10887, 10, -4 },
              { 37, 10, -4 },
              { 10917, 10, -4 },
              { -1088, 10, -3 },
              { -19, 10, -4 },
              { 19, 10, -4 },
              { -32, 10, -4 },
              { -2, 10, -4 },
              { -3, 10, -4 },
              { 9, 10, -4 },
              { -37, 10, -4 }
            },
            data {
              {
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                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "0000267500000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 138383, 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 { 1016, 10, -2 }
              },
              {
                urn {
                  label "Fingerprint",
                  name "Shape",
                  datatype stringlist,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
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              },
              {
                urn {
                  label "Shape",
                  name "Multipoles",
                  datatype doublevec,
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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              },
              {
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                  software "PubChem",
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                  release "2012.01.18"
                },
                value fval { 421557, 10, -3 }
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              {
                urn {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 1184, 10, -1 }
              }
            }
          }
        },
        data {
          {
            urn {
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            value fval { 6, 10, -1 }
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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"
        },
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      },
      {
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          software "OEChem",
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          release "2012.01.18"
        },
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      {
        urn {
          label "Features",
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          datatype stringlist,
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "1 9 acceptor"
        }
      }
    },
    count {
      heavy-atom 13,
      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
    }
  }
}