PC-Compounds ::= {
  {
    id {
      id cid 1233
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
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        o,
        o,
        o,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        2,
        3,
        4,
        5,
        5,
        5,
        6,
        6,
        7,
        7,
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      },
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      },
      order {
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        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
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        above 5,
        top 8,
        bottom 11,
        below 12,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
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          8,
          9,
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          11,
          12,
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          15,
          16,
          17
        },
        conformers {
          {
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              { 22225, 10, -4 },
              { 26684, 10, -4 },
              { -35196, 10, -4 },
              { 16306, 10, -4 },
              { -18811, 10, -4 },
              { 11642, 10, -4 },
              { -2326, 10, -4 },
              { -12654, 10, -4 },
              { -23793, 10, -4 },
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              { 12715, 10, -4 },
              { -13048, 10, -4 },
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              { 10818, 10, -4 },
              { -23531, 10, -4 },
              { 28193, 10, -4 }
            },
            y {
              { -8421, 10, -4 },
              { 17751, 10, -4 },
              { -1938, 10, -4 },
              { 5981, 10, -4 },
              { -15397, 10, -4 },
              { -6035, 10, -4 },
              { -1767, 10, -4 },
              { -1392, 10, -4 },
              { 4983, 10, -4 },
              { 1952, 10, -4 },
              { 4284, 10, -4 },
              { 3903, 10, -4 },
              { 11004, 10, -4 },
              { -15162, 10, -4 },
              { -19559, 10, -4 },
              { -10102, 10, -4 },
              { 21617, 10, -4 }
            },
            z {
              { 8352, 10, -4 },
              { 59, 10, -3 },
              { 10926, 10, -4 },
              { -1307, 10, -4 },
              { -10762, 10, -4 },
              { 10249, 10, -4 },
              { -8312, 10, -4 },
              { -329, 10, -3 },
              { -8754, 10, -4 },
              { 233, 10, -4 },
              { 2076, 10, -4 },
              { -17636, 10, -4 },
              { -1765, 10, -3 },
              { -14178, 10, -4 },
              { -18283, 10, -4 },
              { 18222, 10, -4 },
              { 7348, 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 "000004D100000001"
              },
              {
                urn {
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                  name "MMFF94 NoEstat",
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                  version "1.7.2",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.11.26"
                },
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              {
                urn {
                  label "Feature",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
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              },
              {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fvec {
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              },
              {
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                  version "2.1",
                  software "PubChem",
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                },
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            }
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        },
        data {
          {
            urn {
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            },
            value fval { 4, 10, -1 }
          },
          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2012.02.08"
            },
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    },
    props {
      {
        urn {
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          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "11 0.66",
          "13 0.15",
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          "16 0.37",
          "17 0.5",
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      },
      {
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          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 2, 10, 0 }
      },
      {
        urn {
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        },
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          "5 1 6 8 9 10 rings"
        }
      }
    },
    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 2
    }
  }
}