PC-Compounds ::= {
  {
    id {
      id cid 85247
    },
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        2,
        3,
        4,
        5,
        6,
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      },
      element {
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      }
    },
    bonds {
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        2,
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        3,
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      },
      order {
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
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      }
    },
    coords {
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        type {
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        },
        aid {
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          6,
          7,
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          10,
          11,
          12,
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          14
        },
        conformers {
          {
            x {
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              { -1499, 10, -4 },
              { -7209, 10, -4 },
              { -7203, 10, -4 },
              { -72, 10, -2 },
              { -3604, 10, -4 },
              { -1814, 10, -3 },
              { -3603, 10, -4 },
              { -3598, 10, -4 },
              { -3593, 10, -4 },
              { -18133, 10, -4 },
              { -1813, 10, -3 },
              { -359, 10, -3 },
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            },
            y {
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              { -17527, 10, -4 },
              { 10862, 10, -4 },
              { 6669, 10, -4 },
              { -21595, 10, -4 },
              { -1807, 10, -3 },
              { -24017, 10, -4 },
              { 7144, 10, -4 },
              { 21121, 10, -4 },
              { 11204, 10, -4 },
              { 6879, 10, -4 },
              { 16876, 10, -4 },
              { 477, 10, -4 }
            },
            z {
              { 2, 10, -4 },
              { 0, 10, 0 },
              { 242, 10, -3 },
              { 13968, 10, -4 },
              { -1639, 10, -3 },
              { 11918, 10, -4 },
              { 2493, 10, -4 },
              { -562, 10, -3 },
              { 23609, 10, -4 },
              { 12741, 10, -4 },
              { 14402, 10, -4 },
              { -16902, 10, -4 },
              { -17989, 10, -4 },
              { -24662, 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 "00014CFF00000001"
              },
              {
                urn {
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                  name "MMFF94 NoEstat",
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                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 313, 10, -4 }
              },
              {
                urn {
                  label "Feature",
                  name "Self Overlap",
                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 0, 10, 0 }
              },
              {
                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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                  software "OEShape",
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                  release "2012.01.18"
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                value fvec {
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              },
              {
                urn {
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 195607, 10, -3 }
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              {
                urn {
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          }
        },
        data {
          {
            urn {
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            value fval { 4, 10, -1 }
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          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2010.05.05"
            },
            value ivec {
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          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
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          release "2012.11.26"
        },
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      {
        urn {
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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 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}