PC-Compound ::= {
  id {
    id cid 2796531
  },
  atoms {
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      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10,
      11,
      12,
      13,
      14,
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      16,
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      18,
      19,
      20,
      21,
      22,
      23,
      24,
      25,
      26,
      27,
      28,
      29,
      30,
      31,
      32,
      33,
      34,
      35,
      36,
      37,
      38,
      39,
      40
    },
    element {
      f,
      o,
      o,
      n,
      n,
      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,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
  bonds {
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      1,
      2,
      3,
      3,
      4,
      4,
      4,
      5,
      5,
      5,
      6,
      6,
      7,
      7,
      8,
      8,
      9,
      9,
      11,
      11,
      12,
      13,
      13,
      14,
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      15,
      15,
      16,
      16,
      17,
      17,
      18,
      18,
      19,
      20,
      20,
      21,
      21,
      22,
      23,
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      24,
      24
    },
    aid2 {
      25,
      10,
      12,
      40,
      6,
      10,
      11,
      6,
      8,
      27,
      7,
      26,
      12,
      14,
      9,
      13,
      10,
      15,
      16,
      17,
      20,
      18,
      28,
      21,
      29,
      19,
      30,
      23,
      31,
      24,
      32,
      19,
      33,
      34,
      22,
      35,
      22,
      36,
      37,
      25,
      38,
      25,
      39
    },
    order {
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
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      single,
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      double,
      single,
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      single,
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      single,
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      single,
      single,
      double,
      single,
      single,
      double,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 6,
      above 4,
      top 5,
      bottom 7,
      below 26,
      parity any,
      type tetrahedral
    }
  },
  coords {
    {
      type {
        threed,
        computed,
        units-angstroms
      },
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
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        8,
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        10,
        11,
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        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40
      },
      conformers {
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          },
          data {
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            {
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            {
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            {
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      data {
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        {
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  props {
    {
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        software "OEChem",
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  },
  count {
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    atom-chiral 1,
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    atom-chiral-undef 1,
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    bond-chiral-def 0,
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    covalent-unit 1,
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  }
}