PC-Compound ::= {
  id {
    id cid 53301247
  },
  atoms {
    aid {
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      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10,
      11,
      12,
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      39,
      40,
      41,
      42,
      43,
      44,
      45,
      46,
      47,
      48,
      49
    },
    element {
      cl,
      o,
      o,
      o,
      o,
      o,
      n,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
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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,
      3,
      4,
      5,
      5,
      6,
      7,
      7,
      7,
      8,
      8,
      8,
      8,
      9,
      9,
      10,
      10,
      10,
      11,
      11,
      12,
      12,
      13,
      15,
      15,
      17,
      17,
      18,
      18,
      18,
      19,
      19,
      20,
      20,
      21,
      21,
      22,
      22,
      24,
      24,
      25,
      27,
      27,
      27,
      28,
      28,
      28,
      29,
      29,
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      14,
      27,
      14,
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      26,
      29,
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      16,
      18,
      9,
      10,
      12,
      14,
      11,
      30,
      13,
      31,
      32,
      13,
      17,
      15,
      20,
      19,
      16,
      21,
      22,
      33,
      26,
      34,
      35,
      23,
      36,
      24,
      37,
      25,
      38,
      23,
      39,
      25,
      40,
      41,
      28,
      42,
      43,
      44,
      45,
      46,
      47,
      48,
      49
    },
    order {
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      single,
      single,
      double,
      double,
      single,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
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      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 8,
      above 9,
      top 12,
      bottom 10,
      below 14,
      parity counterclockwise,
      type tetrahedral
    },
    tetrahedral {
      center 9,
      above 7,
      top 8,
      bottom 11,
      below 30,
      parity clockwise,
      type tetrahedral
    }
  },
  coords {
    {
      type {
        threed,
        computed,
        units-angstroms
      },
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
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        8,
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        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49
      },
      conformers {
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          data {
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                software "PubChem",
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                release "2011.04.04"
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            {
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            {
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              value fval { 35827, 10, -3 }
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            {
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            },
            {
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                software "OEShape",
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            {
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              value fval { 1231373, 10, -3 }
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            {
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                release "2012.11.26"
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      data {
        {
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            datatype double,
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          },
          value fval { 8, 10, -1 }
        },
        {
          urn {
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          value ivec {
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  },
  props {
    {
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        label "Charge",
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        source "openeye.com",
        release "2012.02.08"
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        "12 -0.14",
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        "14 0.66",
        "15 0.09",
        "16 0.54",
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        "18 0.36",
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    {
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        "6 12 15 20 21 24 25 rings",
        "6 7 8 9 12 15 16 rings"
      }
    }
  },
  count {
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    atom-chiral 2,
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    atom-chiral-undef 0,
    bond-chiral 0,
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    bond-chiral-undef 0,
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    covalent-unit 1,
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  }
}