PC-Compounds ::= {
  {
    id {
      id cid 60193236
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42
      },
      element {
        s,
        o,
        o,
        o,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        1,
        1,
        1,
        2,
        2,
        5,
        5,
        6,
        7,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        13,
        13,
        14,
        14,
        15,
        15,
        15,
        16,
        16,
        17,
        17,
        18,
        18,
        19,
        20,
        20,
        21,
        21,
        22,
        22,
        23,
        23,
        24
      },
      aid2 {
        3,
        4,
        5,
        15,
        11,
        34,
        8,
        9,
        12,
        8,
        9,
        10,
        25,
        11,
        26,
        12,
        27,
        13,
        14,
        28,
        29,
        16,
        17,
        18,
        30,
        31,
        32,
        33,
        19,
        35,
        20,
        21,
        19,
        36,
        37,
        22,
        38,
        23,
        39,
        24,
        40,
        24,
        41,
        42
      },
      order {
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        triple,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 8,
        top 9,
        bottom 10,
        below 25,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 5,
        top 11,
        bottom 7,
        below 26,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 5,
        top 12,
        bottom 7,
        below 27,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
          12,
          13,
          14,
          15,
          16,
          17,
          18,
          19,
          20,
          21,
          22,
          23,
          24,
          25,
          26,
          27,
          28,
          29,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42
        },
        conformers {
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              { 2184, 10, -3 },
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              { -4098, 10, -4 },
              { -17738, 10, -4 },
              { -8252, 10, -4 },
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              { -4466, 10, -3 },
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              { -27042, 10, -4 },
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              { 19956, 10, -4 },
              { 25292, 10, -4 },
              { 20786, 10, -4 },
              { 23566, 10, -4 }
            },
            y {
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              { -185, 10, -3 },
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              { 932, 10, -4 },
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              { 12847, 10, -4 },
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              { 32443, 10, -4 },
              { -6532, 10, -4 },
              { -13155, 10, -4 },
              { -30913, 10, -4 },
              { -37448, 10, -4 },
              { -46435, 10, -4 }
            },
            z {
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              { 3658, 10, -4 },
              { 1852, 10, -4 },
              { -735, 10, -3 },
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              { -5587, 10, -4 },
              { -4712, 10, -4 },
              { 22, 10, -1 },
              { 11832, 10, -4 },
              { -757, 10, -4 },
              { -9384, 10, -4 },
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              { -1165, 10, -3 },
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              { -1852, 10, -4 },
              { -5004, 10, -4 },
              { -5527, 10, -4 },
              { 24369, 10, -4 },
              { -18093, 10, -4 },
              { 27926, 10, -4 },
              { -14306, 10, -4 },
              { 865, 10, -3 }
            },
            data {
              {
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                  source "ncbi.nlm.nih.gov",
                  release "2012.05.21"
                },
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              {
                urn {
                  label "Energy",
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              {
                urn {
                  label "Feature",
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                  software "PubChem",
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                },
                value fval { 40615, 10, -3 }
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              {
                urn {
                  label "Fingerprint",
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                  datatype stringlist,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
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              {
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                  source "openeye.com",
                  release "2012.11.26"
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              {
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                  release "2012.11.26"
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                value fval { 996629, 10, -3 }
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              {
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                value fval { 2633, 10, -1 }
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        data {
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            urn {
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            },
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          {
            urn {
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              datatype uintvec,
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    props {
      {
        urn {
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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          "38 0.15",
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        }
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      {
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      {
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          "4 5 7 8 9 rings",
          "6 10 13 14 16 18 19 rings",
          "6 17 20 21 22 23 24 rings"
        }
      }
    },
    count {
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      atom-chiral 3,
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      bond-chiral 0,
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      bond-chiral-undef 0,
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      covalent-unit 1,
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    }
  }
}