PC-Compounds ::= {
  {
    id {
      id cid 4794
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
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        22,
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        o,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
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        1,
        1,
        1,
        2,
        4,
        4,
        5,
        6,
        6,
        6,
        7,
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        9,
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        10,
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        3,
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        10,
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        11,
        23,
        11,
        9,
        20,
        21,
        8,
        12,
        13,
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        14,
        15,
        11,
        16,
        17,
        18,
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      order {
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        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
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        center 9,
        above 6,
        top 8,
        bottom 11,
        below 16,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          22,
          23
        },
        conformers {
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              { 2763, 10, -3 },
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              { 16792, 10, -4 },
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              { 2508, 10, -4 },
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            y {
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              { 22107, 10, -4 },
              { 1167, 10, -4 },
              { -20911, 10, -4 }
            },
            z {
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              { -15964, 10, -4 },
              { 111, 10, -3 },
              { 3413, 10, -4 },
              { -7456, 10, -4 },
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              { -281, 10, -4 }
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            data {
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                urn {
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 2543, 10, -2 }
              },
              {
                urn {
                  label "Fingerprint",
                  name "Shape",
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                  software "PubChem",
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              {
                urn {
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          {
            urn {
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      {
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        },
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          "1 6 donor",
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        }
      }
    },
    count {
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      atom-chiral 1,
      atom-chiral-def 0,
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      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
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}