PC-Compounds ::= {
  {
    id {
      id cid 3445
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        3,
        3,
        3,
        4,
        4,
        4,
        5,
        5,
        5,
        6,
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        7,
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      },
      aid2 {
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        10,
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        6,
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        10,
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        14,
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        15,
        16
      },
      order {
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        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 4,
        above 3,
        top 5,
        bottom 7,
        below 11,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
        aid {
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          11,
          12,
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          14,
          15,
          16,
          17,
          18,
          19
        },
        conformers {
          {
            x {
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              { 29073, 10, -4 },
              { -27737, 10, -4 },
              { -1788, 10, -3 },
              { -3688, 10, -4 },
              { 6311, 10, -4 },
              { -20936, 10, -4 },
              { 2695, 10, -4 },
              { -11249, 10, -4 },
              { 2059, 10, -3 },
              { -18655, 10, -4 },
              { -384, 10, -4 },
              { -3951, 10, -4 },
              { -31302, 10, -4 },
              { 9924, 10, -4 },
              { -13679, 10, -4 },
              { -26805, 10, -4 },
              { -25725, 10, -4 },
              { 32313, 10, -4 }
            },
            y {
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              { -5474, 10, -4 },
              { 14876, 10, -4 },
              { 5388, 10, -4 },
              { 10098, 10, -4 },
              { -1089, 10, -4 },
              { -8747, 10, -4 },
              { -13913, 10, -4 },
              { -17525, 10, -4 },
              { 2025, 10, -4 },
              { 5579, 10, -4 },
              { 17665, 10, -4 },
              { 1504, 10, -3 },
              { -11991, 10, -4 },
              { -21972, 10, -4 },
              { -27696, 10, -4 },
              { 15599, 10, -4 },
              { 24192, 10, -4 },
              { 16818, 10, -4 }
            },
            z {
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              { 4872, 10, -4 },
              { -703, 10, -4 },
              { 4533, 10, -4 },
              { 457, 10, -4 },
              { -398, 10, -4 },
              { 195, 10, -4 },
              { -1876, 10, -4 },
              { -2806, 10, -4 },
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              { 1548, 10, -3 },
              { 7693, 10, -4 },
              { -9358, 10, -4 },
              { -14, 10, -3 },
              { -2607, 10, -4 },
              { -5678, 10, -4 },
              { -10833, 10, -4 },
              { 2923, 10, -4 },
              { -4293, 10, -4 }
            },
            data {
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "00000D7500000001"
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              {
                urn {
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                  name "MMFF94 NoEstat",
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                  source "openeye.com",
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                },
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              {
                urn {
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                  software "PubChem",
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                },
                value fval { 305, 10, -1 }
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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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                  "15775835 57 18335148600035885356",
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                  "369184 2 17458620155081248651",
                  "5084963 1 18272089413380589210"
                }
              },
              {
                urn {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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              },
              {
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                value fval { 387092, 10, -3 }
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              {
                urn {
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                  release "2012.01.18"
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                value fval { 1077, 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,
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "14 0.15",
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          "16 0.15",
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          "18 0.36",
          "19 0.5",
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          "4 0.41",
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      },
      {
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          source "ncbi.nlm.nih.gov",
          release "2012.01.18"
        },
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      {
        urn {
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        },
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        }
      }
    },
    count {
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      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}