PC-Compounds ::= {
  {
    id {
      id cid 53382827
    },
    atoms {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
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        20,
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        31,
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        42,
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        44,
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        46,
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        49,
        50,
        51,
        52,
        53,
        54
      },
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        o,
        o,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        c,
        c,
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        c,
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        h,
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        h,
        h,
        h,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        3,
        3,
        3,
        4,
        4,
        4,
        5,
        6,
        6,
        6,
        6,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        17,
        17,
        18,
        18,
        19,
        20,
        20,
        21,
        21,
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        22,
        24,
        24,
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        25,
        25,
        26,
        27,
        28,
        29,
        29,
        29,
        30,
        30,
        30,
        31,
        31,
        31
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      aid2 {
        16,
        31,
        16,
        11,
        12,
        15,
        11,
        41,
        42,
        23,
        7,
        8,
        9,
        32,
        10,
        13,
        12,
        16,
        11,
        23,
        14,
        17,
        33,
        18,
        34,
        19,
        20,
        21,
        22,
        25,
        35,
        19,
        36,
        37,
        28,
        40,
        26,
        38,
        27,
        39,
        26,
        27,
        29,
        28,
        43,
        44,
        45,
        46,
        30,
        47,
        48,
        49,
        50,
        51,
        52,
        53,
        54
      },
      order {
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        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        triple,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
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        single,
        single,
        single,
        double,
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        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 7,
        top 8,
        bottom 9,
        below 32,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          4,
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          8,
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          44,
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          46,
          47,
          48,
          49,
          50,
          51,
          52,
          53,
          54
        },
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            z {
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            data {
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              {
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              {
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                  label "Shape",
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                  software "OEShape",
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                },
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        data {
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          {
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    props {
      {
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
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      {
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        },
        value fval { 54, 10, -1 }
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      {
        urn {
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        value slist {
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          "6 10 14 17 20 25 28 rings",
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          "6 3 6 8 9 11 12 rings",
          "6 7 10 13 14 18 19 rings"
        }
      }
    },
    count {
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      atom-chiral 1,
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      bond-chiral 0,
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    }
  }
}