PC-Compound ::= {
  id {
    id cid 36558
  },
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      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10,
      11,
      12,
      13,
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      15,
      16,
      17,
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      19,
      20,
      21,
      22,
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      25,
      26,
      27,
      28,
      29,
      30,
      31,
      32,
      33,
      34,
      35,
      36,
      37,
      38,
      39
    },
    element {
      o,
      o,
      n,
      n,
      n,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
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      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
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      1,
      1,
      2,
      3,
      3,
      3,
      4,
      4,
      4,
      5,
      6,
      6,
      6,
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      8,
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      9,
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      15,
      15,
      16,
      16,
      17,
      17,
      18,
      18,
      19
    },
    aid2 {
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      13,
      13,
      8,
      10,
      11,
      13,
      14,
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      7,
      8,
      21,
      9,
      22,
      23,
      24,
      25,
      10,
      26,
      27,
      28,
      29,
      12,
      30,
      31,
      32,
      33,
      34,
      15,
      16,
      17,
      36,
      18,
      37,
      19,
      38,
      19,
      39,
      20
    },
    order {
      single,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      triple,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
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      single,
      single,
      single,
      double,
      single,
      double,
      single,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 6,
      above 1,
      top 7,
      bottom 8,
      below 21,
      parity any,
      type tetrahedral
    }
  },
  coords {
    {
      type {
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        computed,
        units-angstroms
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      aid {
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        3,
        4,
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        6,
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        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39
      },
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          data {
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  }
}