PC-Compound ::= {
  id {
    id cid 46916716
  },
  atoms {
    aid {
      1,
      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10,
      11,
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      37,
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      40,
      41,
      42,
      43,
      44,
      45,
      46,
      47
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      o,
      o,
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      c,
      c,
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      c,
      c,
      c,
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      h,
      h,
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      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    },
    isotope {
      {
        aid 40,
        value 2
      },
      {
        aid 41,
        value 2
      }
    }
  },
  bonds {
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      1,
      2,
      3,
      3,
      3,
      4,
      4,
      4,
      5,
      5,
      5,
      6,
      6,
      6,
      6,
      7,
      7,
      8,
      8,
      8,
      9,
      9,
      9,
      11,
      11,
      12,
      12,
      12,
      13,
      13,
      13,
      14,
      14,
      14,
      15,
      15,
      15,
      16,
      16,
      17,
      17,
      17,
      19,
      20,
      20,
      21,
      21,
      22,
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      23
    },
    aid2 {
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      5,
      14,
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      10,
      15,
      7,
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      24,
      8,
      9,
      10,
      25,
      26,
      27,
      13,
      28,
      29,
      12,
      30,
      31,
      19,
      20,
      16,
      32,
      33,
      16,
      34,
      35,
      17,
      36,
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      18,
      38,
      39,
      40,
      41,
      19,
      42,
      43,
      21,
      22,
      44,
      23,
      45,
      23,
      46,
      47
    },
    order {
      double,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
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      single,
      single,
      single,
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      single,
      single,
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      single,
      single,
      single,
      double,
      single,
      single,
      single,
      single,
      double,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 5,
      above 3,
      top 7,
      bottom 11,
      below 24,
      parity any,
      type tetrahedral
    }
  },
  coords {
    {
      type {
        threed,
        computed,
        units-angstroms
      },
      aid {
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        2,
        3,
        4,
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        6,
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        8,
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        11,
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        30,
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        35,
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        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
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      },
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          data {
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            {
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      data {
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        {
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    {
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    },
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      },
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    {
      urn {
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        "6 6 8 9 12 13 16 rings"
      }
    }
  },
  count {
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    atom-chiral 1,
    atom-chiral-def 0,
    atom-chiral-undef 1,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 2,
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    tautomers 2
  }
}