PC-Compounds ::= {
  {
    id {
      id cid 53316307
    },
    atoms {
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        2,
        3,
        4,
        5,
        6,
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        8,
        9,
        10,
        11,
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        13,
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        33,
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        48,
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        f,
        f,
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        c,
        c,
        c,
        c,
        c,
        c,
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        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
      }
    },
    bonds {
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        1,
        2,
        3,
        4,
        5,
        5,
        6,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        12,
        14,
        14,
        14,
        15,
        15,
        16,
        16,
        17,
        17,
        17,
        19,
        19,
        20,
        20,
        21,
        21,
        21,
        22,
        22,
        23,
        23,
        24,
        24,
        25,
        25,
        26,
        26,
        27,
        27,
        28,
        29,
        29,
        29,
        32,
        32,
        32
      },
      aid2 {
        30,
        31,
        31,
        31,
        18,
        32,
        18,
        11,
        13,
        14,
        10,
        13,
        13,
        21,
        39,
        12,
        15,
        33,
        12,
        17,
        18,
        16,
        34,
        35,
        19,
        20,
        22,
        23,
        36,
        37,
        38,
        26,
        40,
        27,
        41,
        29,
        42,
        43,
        24,
        44,
        25,
        45,
        28,
        46,
        28,
        47,
        30,
        48,
        30,
        49,
        31,
        50,
        51,
        52,
        53,
        54,
        55
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
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        single,
        single,
        single,
        single,
        single,
        double,
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        single,
        single,
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        single,
        single,
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        single,
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        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 10,
        above 8,
        top 12,
        bottom 15,
        below 33,
        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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          10,
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          46,
          47,
          48,
          49,
          50,
          51,
          52,
          53,
          54,
          55
        },
        conformers {
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            z {
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            data {
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              {
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        data {
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          {
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    },
    props {
      {
        urn {
          label "Charge",
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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      {
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          release "2012.11.26"
        },
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    },
    count {
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      atom-chiral 1,
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      covalent-unit 1,
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    }
  }
}