PC-Compounds ::= {
  {
    id {
      id cid 57055547
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
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        12,
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        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        2,
        3,
        3,
        4,
        4,
        4,
        5,
        5,
        6,
        6,
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        7,
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        10,
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      },
      order {
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
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        center 4,
        above 3,
        top 5,
        bottom 6,
        below 9,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 5,
        above 1,
        top 4,
        bottom 7,
        below 10,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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        },
        aid {
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          13,
          14,
          15,
          16,
          17,
          18
        },
        conformers {
          {
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              { -10378, 10, -4 },
              { -6469, 10, -4 },
              { -2026, 10, -4 },
              { 12691, 10, -4 },
              { -1097, 10, -3 },
              { 21482, 10, -4 },
              { -17961, 10, -4 },
              { -2703, 10, -4 },
              { 16553, 10, -4 },
              { -2145, 10, -3 },
              { -7544, 10, -4 },
              { 18655, 10, -4 },
              { 20937, 10, -4 },
              { 31901, 10, -4 },
              { -20222, 10, -4 },
              { -26688, 10, -4 },
              { -16117, 10, -4 }
            },
            y {
              { -9654, 10, -4 },
              { -17433, 10, -4 },
              { 9405, 10, -4 },
              { 1862, 10, -4 },
              { -1524, 10, -4 },
              { -10363, 10, -4 },
              { 10612, 10, -4 },
              { 17094, 10, -4 },
              { 796, 10, -3 },
              { -7192, 10, -4 },
              { -7861, 10, -4 },
              { -16892, 10, -4 },
              { 15815, 10, -4 },
              { 17646, 10, -4 },
              { 7481, 10, -4 },
              { 23432, 10, -4 },
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              { 23636, 10, -4 }
            },
            z {
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              { 4186, 10, -4 },
              { 5232, 10, -4 },
              { -6071, 10, -4 },
              { -3764, 10, -4 },
              { -7452, 10, -4 },
              { -1356, 10, -4 },
              { 2077, 10, -4 },
              { -15174, 10, -4 },
              { -12305, 10, -4 },
              { -9231, 10, -4 },
              { -15534, 10, -4 },
              { 785, 10, -3 },
              { -9717, 10, -4 },
              { -116, 10, -4 },
              { 10703, 10, -4 },
              { 253, 10, -4 },
              { -6504, 10, -4 }
            },
            data {
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                  label "Conformer",
                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.02.08"
                },
                value sval "0366993B00000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
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                  software "Szybki",
                  source "openeye.com",
                  release "2012.11.26"
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              {
                urn {
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value fval { 5074, 10, -3 }
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              {
                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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              },
              {
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                  label "Shape",
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fvec {
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                  { 241, 10, -2 },
                  { 176, 10, -2 },
                  { 82, 10, -2 },
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              },
              {
                urn {
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                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value fval { 2639, 10, -1 }
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              {
                urn {
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        data {
          {
            urn {
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            },
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          },
          {
            urn {
              label "Diverse Conformer",
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              datatype uintvec,
              release "2012.02.08"
            },
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          source "openeye.com",
          release "2012.11.26"
        },
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          "5 0.34",
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      },
      {
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        },
        value fval { 3, 10, 0 }
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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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      }
    },
    count {
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      atom-chiral 2,
      atom-chiral-def 0,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}