PC-Compound ::= {
  id {
    id cid 8400
  },
  atoms {
    aid {
      1,
      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10,
      11,
      12,
      13,
      14,
      15,
      16,
      17,
      18,
      19,
      20,
      21,
      22,
      23,
      24,
      25,
      26,
      27,
      28
    },
    element {
      o,
      o,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
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      c,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
  bonds {
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      1,
      2,
      3,
      3,
      3,
      4,
      4,
      5,
      6,
      6,
      7,
      7,
      8,
      8,
      9,
      9,
      10,
      10,
      11,
      11,
      12,
      12,
      13,
      14,
      14,
      15,
      15,
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    },
    aid2 {
      3,
      25,
      5,
      4,
      5,
      17,
      7,
      8,
      6,
      9,
      10,
      11,
      18,
      12,
      19,
      14,
      20,
      15,
      21,
      13,
      22,
      13,
      23,
      24,
      16,
      26,
      16,
      27,
      28
    },
    order {
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      single,
      double,
      single,
      single,
      single,
      double,
      single,
      single,
      double,
      single,
      single,
      single,
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      single,
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      double,
      single,
      double,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 3,
      above 1,
      top 4,
      bottom 5,
      below 17,
      parity any,
      type tetrahedral
    }
  },
  coords {
    {
      type {
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        computed,
        units-angstroms
      },
      aid {
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        15,
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        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28
      },
      conformers {
        {
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          y {
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          z {
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            { 66, 10, -3 }
          },
          data {
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                release "2009.12.11"
              },
              value sval "000020D000000003"
            },
            {
              urn {
                label "Energy",
                name "MMFF94 NoEstat",
                datatype double,
                version "1.6.0",
                software "Szybki",
                source "openeye.com",
                release "2012.01.18"
              },
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            {
              urn {
                label "Feature",
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              },
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            {
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                release "2012.11.26"
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            },
            {
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                software "OEShape",
                source "openeye.com",
                release "2012.01.18"
              },
              value fvec {
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            {
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            {
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                release "2012.01.18"
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      data {
        {
          urn {
            label "Conformer",
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          },
          value fval { 6, 10, -1 }
        },
        {
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            datatype uintvec,
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  },
  props {
    {
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        name "MMFF94 Partial",
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        software "OEChem",
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        release "2012.02.08"
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    },
    {
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    {
      urn {
        label "Features",
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        datatype stringlist,
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        software "OEShape",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
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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 2
  }
}