PC-Compound ::= {
  id {
    id cid 7309334
  },
  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,
      29,
      30,
      31
    },
    element {
      o,
      o,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
  bonds {
    aid1 {
      1,
      1,
      2,
      2,
      3,
      3,
      3,
      4,
      4,
      5,
      5,
      5,
      6,
      6,
      7,
      7,
      8,
      9,
      9,
      10,
      10,
      11,
      11,
      12,
      12,
      13,
      13,
      14,
      15,
      15,
      16,
      16,
      17
    },
    aid2 {
      4,
      8,
      3,
      24,
      4,
      5,
      18,
      7,
      19,
      6,
      20,
      21,
      8,
      9,
      11,
      12,
      10,
      13,
      22,
      14,
      23,
      15,
      25,
      16,
      26,
      14,
      27,
      28,
      17,
      29,
      17,
      30,
      31
    },
    order {
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      double,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      double,
      single,
      single,
      double,
      single,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 3,
      above 2,
      top 4,
      bottom 5,
      below 18,
      parity clockwise,
      type tetrahedral
    },
    tetrahedral {
      center 4,
      above 1,
      top 7,
      bottom 3,
      below 19,
      parity counterclockwise,
      type tetrahedral
    }
  },
  coords {
    {
      type {
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        computed,
        units-angstroms
      },
      aid {
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        2,
        3,
        4,
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        6,
        7,
        8,
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        10,
        11,
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        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31
      },
      conformers {
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          y {
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          z {
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          },
          data {
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            {
              urn {
                label "Feature",
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              },
              value fval { 30475, 10, -3 }
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            {
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            {
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                software "OEShape",
                source "openeye.com",
                release "2012.01.18"
              },
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            {
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                release "2012.01.18"
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      data {
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        {
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          value ivec {
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  },
  props {
    {
      urn {
        label "Charge",
        name "MMFF94 Partial",
        datatype stringlist,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.05.21"
      },
      value slist {
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        "22 0.15",
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        "24 0.4",
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    {
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      },
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    {
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      },
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        "6 7 11 12 15 16 17 rings"
      }
    }
  },
  count {
    heavy-atom 17,
    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
  }
}