PC-Compounds ::= {
  {
    id {
      id cid 791
    },
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        2,
        3,
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        5,
        6,
        7,
        8,
        9,
        10,
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        c,
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        h,
        h,
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      }
    },
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        3,
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        4,
        4,
        5,
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        5,
        6,
        7,
        10,
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        11,
        8,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19
      },
      order {
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        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
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        center 4,
        above 5,
        top 6,
        bottom 7,
        below 10,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 5,
        above 3,
        top 4,
        bottom 9,
        below 11,
        parity any,
        type tetrahedral
      }
    },
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      {
        type {
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        },
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        },
        conformers {
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              { -7954, 10, -4 },
              { 1814, 10, -4 },
              { -2277, 10, -3 },
              { -3711, 10, -4 },
              { -28582, 10, -4 },
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              { -7343, 10, -4 },
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              { 26765, 10, -4 }
            },
            y {
              { -1596, 10, -3 },
              { 4944, 10, -4 },
              { 13996, 10, -4 },
              { -1352, 10, -4 },
              { 224, 10, -4 },
              { 1345, 10, -4 },
              { 7457, 10, -4 },
              { -7652, 10, -4 },
              { -3002, 10, -4 },
              { -11764, 10, -4 },
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              { 20305, 10, -4 },
              { 14607, 10, -4 },
              { -17975, 10, -4 }
            },
            z {
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              { 18811, 10, -4 },
              { -4801, 10, -4 }
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            data {
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                  software "PubChem",
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                  source "openeye.com",
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              {
                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 }
              },
              {
                urn {
                  label "Fingerprint",
                  name "Shape",
                  datatype stringlist,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
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              {
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                  release "2012.01.18"
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              },
              {
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 311102, 10, -3 }
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              {
                urn {
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        data {
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          },
          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2012.02.08"
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    props {
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        },
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      {
        urn {
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          "1 8 hydrophobe",
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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
    }
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}