PC-Compounds ::= {
  {
    id {
      id cid 60188938
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        15,
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        20,
        21,
        22,
        23,
        24,
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        27,
        28,
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        34,
        35,
        36,
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        38,
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        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52,
        53,
        54,
        55
      },
      element {
        o,
        o,
        o,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        4,
        5,
        6,
        6,
        6,
        6,
        7,
        7,
        8,
        8,
        9,
        9,
        9,
        9,
        11,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        15,
        16,
        16,
        18,
        18,
        19,
        19,
        20,
        20,
        21,
        21,
        22,
        22,
        23,
        24,
        24,
        25,
        25,
        26,
        26,
        27,
        27,
        29,
        29,
        29
      },
      aid2 {
        10,
        14,
        45,
        28,
        29,
        7,
        8,
        10,
        17,
        7,
        8,
        13,
        30,
        14,
        31,
        17,
        32,
        10,
        11,
        12,
        33,
        15,
        34,
        35,
        16,
        36,
        37,
        18,
        19,
        38,
        39,
        16,
        40,
        41,
        42,
        43,
        20,
        21,
        22,
        44,
        23,
        46,
        24,
        25,
        23,
        47,
        48,
        26,
        49,
        27,
        50,
        28,
        51,
        28,
        52,
        53,
        54,
        55
      },
      order {
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        triple,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
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        single,
        single,
        single,
        single,
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        single,
        single,
        single,
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        double,
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        double,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 7,
        top 13,
        bottom 8,
        below 30,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 7,
        above 4,
        top 14,
        bottom 6,
        below 31,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 4,
        top 6,
        bottom 17,
        below 32,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
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          41,
          42,
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          44,
          45,
          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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              {
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              {
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                value fvec {
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                },
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              {
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                  label "Shape",
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        data {
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          {
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            },
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    props {
      {
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      },
      {
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      {
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          "6 13 18 19 20 22 23 rings",
          "6 21 24 25 26 27 28 rings"
        }
      }
    },
    count {
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      bond-chiral 0,
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    }
  }
}