PC-Compound ::= {
  id {
    id cid 25201333
  },
  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,
      32,
      33,
      34,
      35,
      36
    },
    element {
      p,
      p,
      p,
      p,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      o,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    },
    charge {
      {
        aid 1,
        value 1
      },
      {
        aid 2,
        value 1
      },
      {
        aid 3,
        value 1
      },
      {
        aid 4,
        value 1
      },
      {
        aid 11,
        value -1
      },
      {
        aid 12,
        value -1
      },
      {
        aid 13,
        value -1
      },
      {
        aid 14,
        value -1
      },
      {
        aid 15,
        value -1
      },
      {
        aid 16,
        value -1
      },
      {
        aid 17,
        value -1
      },
      {
        aid 18,
        value -1
      },
      {
        aid 19,
        value -1
      },
      {
        aid 20,
        value -1
      },
      {
        aid 21,
        value -1
      },
      {
        aid 22,
        value -1
      }
    }
  },
  bonds {
    aid1 {
      1,
      1,
      1,
      1,
      2,
      2,
      2,
      2,
      3,
      3,
      3,
      3,
      4,
      4,
      4,
      4,
      5,
      6,
      7,
      8,
      9,
      9,
      10,
      10,
      23,
      23,
      23,
      24,
      24,
      25,
      25,
      26,
      26,
      27,
      27,
      28
    },
    aid2 {
      5,
      11,
      12,
      13,
      6,
      14,
      15,
      16,
      7,
      17,
      18,
      19,
      8,
      20,
      21,
      22,
      23,
      24,
      25,
      26,
      27,
      35,
      28,
      36,
      24,
      25,
      29,
      26,
      30,
      27,
      31,
      28,
      32,
      28,
      33,
      34
    },
    order {
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 23,
      above 5,
      top 24,
      bottom 25,
      below 29,
      parity clockwise,
      type tetrahedral
    },
    tetrahedral {
      center 24,
      above 6,
      top 23,
      bottom 26,
      below 30,
      parity clockwise,
      type tetrahedral
    },
    tetrahedral {
      center 25,
      above 7,
      top 27,
      bottom 23,
      below 31,
      parity counterclockwise,
      type tetrahedral
    },
    tetrahedral {
      center 26,
      above 8,
      top 28,
      bottom 24,
      below 32,
      parity counterclockwise,
      type tetrahedral
    },
    tetrahedral {
      center 27,
      above 9,
      top 25,
      bottom 28,
      below 33,
      parity clockwise,
      type tetrahedral
    },
    tetrahedral {
      center 28,
      above 10,
      top 27,
      bottom 26,
      below 34,
      parity counterclockwise,
      type tetrahedral
    }
  },
  coords {
    {
      type {
        threed,
        computed,
        units-angstroms
      },
      aid {
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        2,
        3,
        4,
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        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,
        32,
        33,
        34,
        35,
        36
      },
      conformers {
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          y {
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            { 22294, 10, -4 },
            { 23235, 10, -4 },
            { 40613, 10, -4 }
          },
          data {
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            {
              urn {
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                software "Szybki",
                source "openeye.com",
                release "2012.11.26"
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              value fval { 943488, 10, -4 }
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            {
              urn {
                label "Feature",
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                datatype double,
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                software "PubChem",
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                release "2012.11.26"
              },
              value fval { 86479, 10, -3 }
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            {
              urn {
                label "Fingerprint",
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                datatype stringlist,
                version "2.1",
                software "PubChem",
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            },
            {
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            {
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            {
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      data {
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  props {
    {
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        label "Charge",
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        datatype stringlist,
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        software "OEChem",
        source "openeye.com",
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    {
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    {
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        "1 17 acceptor",
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        "1 21 acceptor",
        "1 22 acceptor",
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  },
  count {
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    atom-chiral 6,
    atom-chiral-def 6,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 1
  }
}