PC-Compound ::= {
  id {
    id cid 5280389
  },
  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 {
      o,
      o,
      o,
      o,
      o,
      o,
      c,
      c,
      c,
      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
    }
  },
  bonds {
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      1,
      1,
      2,
      2,
      3,
      3,
      4,
      4,
      5,
      6,
      6,
      7,
      7,
      7,
      7,
      8,
      9,
      9,
      10,
      11,
      12,
      12,
      13,
      13,
      14,
      14,
      16,
      17,
      18,
      18,
      19,
      20,
      21,
      21,
      22,
      22,
      23,
      24,
      24,
      24
    },
    aid2 {
      8,
      10,
      8,
      16,
      11,
      19,
      15,
      24,
      17,
      20,
      36,
      8,
      9,
      12,
      25,
      26,
      10,
      11,
      14,
      13,
      16,
      27,
      15,
      17,
      15,
      28,
      29,
      18,
      19,
      20,
      21,
      22,
      23,
      30,
      23,
      31,
      32,
      33,
      34,
      35
    },
    order {
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      double,
      single,
      double,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      double,
      single,
      single,
      single,
      double,
      single,
      single,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 7,
      above 8,
      top 12,
      bottom 9,
      below 25,
      parity counterclockwise,
      type tetrahedral
    },
    tetrahedral {
      center 8,
      above 1,
      top 2,
      bottom 7,
      below 26,
      parity clockwise,
      type tetrahedral
    }
  },
  coords {
    {
      type {
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        computed,
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      },
      aid {
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        22,
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        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36
      },
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          data {
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      data {
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        {
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          value ivec {
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  props {
    {
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        software "OEChem",
        source "openeye.com",
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  },
  count {
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  }
}