PC-Compound ::= {
  id {
    id cid 15047
  },
  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
    },
    element {
      o,
      o,
      o,
      o,
      o,
      o,
      n,
      n,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
  bonds {
    aid1 {
      1,
      1,
      2,
      2,
      3,
      3,
      4,
      4,
      5,
      6,
      7,
      7,
      7,
      8,
      8,
      8,
      9,
      9,
      9,
      10,
      10,
      11,
      11,
      12,
      12,
      13,
      13,
      14,
      14,
      16
    },
    aid2 {
      11,
      12,
      9,
      24,
      10,
      25,
      14,
      27,
      15,
      17,
      15,
      17,
      28,
      16,
      17,
      29,
      10,
      11,
      18,
      12,
      19,
      13,
      20,
      14,
      21,
      15,
      16,
      22,
      23,
      26
    },
    order {
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 9,
      above 2,
      top 11,
      bottom 10,
      below 18,
      parity counterclockwise,
      type tetrahedral
    },
    tetrahedral {
      center 10,
      above 3,
      top 9,
      bottom 12,
      below 19,
      parity clockwise,
      type tetrahedral
    },
    tetrahedral {
      center 11,
      above 1,
      top 13,
      bottom 9,
      below 20,
      parity counterclockwise,
      type tetrahedral
    },
    tetrahedral {
      center 12,
      above 1,
      top 10,
      bottom 14,
      below 21,
      parity clockwise,
      type tetrahedral
    }
  },
  coords {
    {
      type {
        threed,
        computed,
        units-angstroms
      },
      aid {
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        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
      },
      conformers {
        {
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          y {
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            { 19203, 10, -4 },
            { 38167, 10, -4 },
            { -13486, 10, -4 },
            { 24555, 10, -4 }
          },
          z {
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            { -10999, 10, -4 },
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            { 12319, 10, -4 },
            { -2726, 10, -4 },
            { -2984, 10, -4 },
            { 2899, 10, -4 },
            { -5932, 10, -4 }
          },
          data {
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            {
              urn {
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                source "openeye.com",
                release "2012.11.26"
              },
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            {
              urn {
                label "Feature",
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                version "2.1",
                software "PubChem",
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              },
              value fval { 66035, 10, -3 }
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            {
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              },
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            },
            {
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                label "Shape",
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              },
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            {
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            {
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      data {
        {
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          value fval { 6, 10, -1 }
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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"
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      value slist {
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        "26 0.15",
        "27 0.4",
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        "29 0.37",
        "3 -0.68",
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        "5 -0.57",
        "6 -0.57",
        "7 -0.49",
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      }
    },
    {
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        release "2012.01.18"
      },
      value fval { 3, 10, 0 }
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    {
      urn {
        label "Features",
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        datatype stringlist,
        parameters "ImplicitMillsDean merged",
        version "1.8.1",
        software "OEShape",
        source "openeye.com",
        release "2012.05.21"
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      value slist {
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        "1 5 acceptor",
        "1 6 acceptor",
        "1 7 donor",
        "1 8 donor",
        "5 1 9 10 11 12 rings",
        "6 7 8 13 15 16 17 rings"
      }
    }
  },
  count {
    heavy-atom 17,
    atom-chiral 4,
    atom-chiral-def 4,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 6
  }
}