PC-Compound ::= {
  id {
    id cid 102551
  },
  atoms {
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      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10,
      11,
      12,
      13,
      14,
      15,
      16,
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      18,
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    element {
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      c,
      c,
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      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
  bonds {
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      1,
      2,
      2,
      2,
      3,
      3,
      3,
      4,
      4,
      4,
      5,
      5,
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    aid2 {
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      21,
      4,
      6,
      12,
      5,
      13,
      14,
      7,
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      15,
      16,
      17,
      9,
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      19,
      11,
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    },
    order {
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      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
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      single,
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      single,
      single,
      single,
      double,
      single,
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      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 3,
      above 2,
      top 4,
      bottom 6,
      below 12,
      parity any,
      type tetrahedral
    }
  },
  coords {
    {
      type {
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        computed,
        units-angstroms
      },
      aid {
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        18,
        19,
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        23,
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      },
      conformers {
        {
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            { 259, 10, -2 }
          },
          y {
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            { 9234, 10, -4 },
            { -27509, 10, -4 },
            { -9662, 10, -4 },
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          },
          z {
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          data {
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            {
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                software "Szybki",
                source "openeye.com",
                release "2012.01.18"
              },
              value fval { 169961, 10, -4 }
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            {
              urn {
                label "Feature",
                name "Self Overlap",
                datatype double,
                version "2.1",
                software "PubChem",
                source "ncbi.nlm.nih.gov",
                release "2012.01.18"
              },
              value fval { 20297, 10, -3 }
            },
            {
              urn {
                label "Fingerprint",
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                datatype stringlist,
                version "2.1",
                software "PubChem",
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            },
            {
              urn {
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                software "OEShape",
                source "openeye.com",
                release "2012.01.18"
              },
              value fvec {
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                release "2012.01.18"
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            {
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      data {
        {
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        },
        {
          urn {
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  props {
    {
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        source "openeye.com",
        release "2012.02.08"
      },
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    },
    {
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      },
      value fval { 2, 10, 0 }
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    {
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        software "OEShape",
        source "openeye.com",
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      },
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      }
    }
  },
  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 9
  }
}