PC-Compounds ::= {
  {
    id {
      id cid 1221
    },
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        2,
        3,
        4,
        5,
        6,
        7,
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        9,
        10,
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        c,
        c,
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        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
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        1,
        2,
        3,
        3,
        4,
        5,
        5,
        6,
        6,
        6,
        7,
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        12,
        11,
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        22,
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        15,
        10,
        11,
        12,
        16,
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        single,
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        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 9,
        above 6,
        top 7,
        bottom 12,
        below 16,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
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        },
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              { 488, 10, -3 },
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              { -18244, 10, -4 },
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            },
            y {
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              { -25838, 10, -4 },
              { -23805, 10, -4 },
              { -29054, 10, -4 },
              { 21683, 10, -4 },
              { -24667, 10, -4 },
              { -16943, 10, -4 },
              { 16042, 10, -4 }
            },
            z {
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              { 16822, 10, -4 },
              { 933, 10, -4 },
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              { 20297, 10, -4 }
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            data {
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              {
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                  source "openeye.com",
                  release "2012.01.18"
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              {
                urn {
                  label "Feature",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 40653, 10, -3 }
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              {
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                  label "Fingerprint",
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                  version "2.1",
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                  release "2012.01.18"
                },
                value fvec {
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                },
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              {
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        data {
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          {
            urn {
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              datatype uintvec,
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    },
    props {
      {
        urn {
          label "Charge",
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          software "OEChem",
          source "openeye.com",
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        },
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      {
        urn {
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          "1 6 cation",
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          "5 1 5 8 10 11 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
    }
  }
}