PC-Compounds ::= {
  {
    id {
      id cid 703530
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
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      },
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        o,
        o,
        n,
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        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
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        h,
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      }
    },
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        2,
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        4,
        5,
        5,
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        8,
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        7,
        9,
        12,
        13,
        14,
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        16,
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        18,
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      },
      order {
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        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
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        center 5,
        above 1,
        top 8,
        bottom 4,
        below 11,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 6,
        above 4,
        top 7,
        bottom 9,
        below 12,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
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        type {
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          units-angstroms
        },
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        },
        conformers {
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              { 13311, 10, -4 },
              { -4492, 10, -4 },
              { -11333, 10, -4 },
              { 918, 10, -3 },
              { 8786, 10, -4 },
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              { 35951, 10, -4 }
            },
            y {
              { 17648, 10, -4 },
              { -2304, 10, -4 },
              { -16162, 10, -4 },
              { -3253, 10, -4 },
              { 1327, 10, -4 },
              { 2113, 10, -4 },
              { 1668, 10, -3 },
              { 2052, 10, -4 },
              { -6566, 10, -4 },
              { -11536, 10, -4 },
              { -5511, 10, -4 },
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              { -7847, 10, -4 }
            },
            z {
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              { -2501, 10, -4 },
              { 6799, 10, -4 }
            },
            data {
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                  version "2.1",
                  software "PubChem",
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                  release "2009.12.11"
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                value sval "000ABC2A00000001"
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              {
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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 { 35576, 10, -3 }
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              {
                urn {
                  label "Fingerprint",
                  name "Shape",
                  datatype stringlist,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
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              },
              {
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              {
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              {
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                  release "2012.01.18"
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                value fval { 1204, 10, -1 }
              }
            }
          }
        },
        data {
          {
            urn {
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          {
            urn {
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    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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      },
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        value fval { 3, 10, 0 }
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      {
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          "1 4 donor",
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        }
      }
    },
    count {
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      atom-chiral 2,
      atom-chiral-def 2,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}