PC-Compounds ::= {
  {
    id {
      id cid 54190586
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        20,
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        22,
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        36,
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        38,
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        43,
        44,
        45,
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        48,
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        50,
        51,
        52,
        53,
        54,
        55,
        56,
        57,
        58,
        59,
        60
      },
      element {
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
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        c,
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        c,
        c,
        c,
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        c,
        c,
        c,
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        h,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
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        1,
        1,
        2,
        2,
        3,
        3,
        4,
        5,
        5,
        6,
        7,
        8,
        9,
        9,
        9,
        10,
        10,
        11,
        11,
        11,
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        12,
        12,
        13,
        13,
        14,
        15,
        15,
        16,
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        16,
        17,
        17,
        18,
        19,
        20,
        20,
        21,
        22,
        22,
        23,
        23,
        23,
        24,
        25,
        25,
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        27,
        27,
        27,
        29,
        30,
        30,
        30,
        31,
        31,
        31,
        32,
        32,
        32,
        33,
        33,
        33
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      aid2 {
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        14,
        14,
        24,
        20,
        28,
        19,
        21,
        30,
        24,
        28,
        29,
        12,
        13,
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        15,
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        28,
        54,
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        13,
        14,
        34,
        15,
        35,
        16,
        36,
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        17,
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        18,
        21,
        22,
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        39,
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        25,
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        41,
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        43,
        44,
        27,
        26,
        45,
        29,
        46,
        47,
        48,
        49,
        31,
        50,
        51,
        32,
        52,
        53,
        33,
        56,
        57,
        58,
        59,
        60
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        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
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        single,
        single,
        single,
        single,
        single,
        single,
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 12,
        above 9,
        top 13,
        bottom 14,
        below 34,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 9,
        top 12,
        bottom 15,
        below 35,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 14,
        above 1,
        top 2,
        bottom 12,
        below 16,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 16,
        above 14,
        top 17,
        bottom 20,
        below 38,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          50,
          51,
          52,
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          55,
          56,
          57,
          58,
          59,
          60
        },
        conformers {
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            z {
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            data {
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              {
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                value fvec {
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          {
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    props {
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      {
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    },
    count {
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      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 6
    }
  }
}