PC-Compounds ::= {
  {
    id {
      id cid 10135765
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
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        20,
        21,
        22,
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        25,
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        28,
        29,
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        32,
        33,
        34,
        35,
        36,
        37,
        38,
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        40,
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        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52,
        53,
        54,
        55
      },
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        cl,
        o,
        o,
        o,
        o,
        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,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
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        1,
        2,
        2,
        3,
        4,
        5,
        6,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        15,
        16,
        16,
        16,
        17,
        17,
        18,
        19,
        19,
        21,
        21,
        21,
        22,
        22,
        23,
        23,
        23,
        24,
        24,
        25,
        25,
        26,
        28,
        28,
        28
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      aid2 {
        20,
        9,
        26,
        18,
        26,
        27,
        7,
        9,
        11,
        16,
        8,
        12,
        29,
        10,
        17,
        30,
        14,
        18,
        13,
        15,
        31,
        13,
        32,
        33,
        14,
        34,
        35,
        36,
        37,
        38,
        39,
        19,
        21,
        22,
        40,
        41,
        42,
        20,
        43,
        23,
        20,
        24,
        44,
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        25,
        47,
        48,
        49,
        50,
        27,
        51,
        27,
        52,
        28,
        53,
        54,
        55
      },
      order {
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        single,
        single,
        double,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 7,
        top 9,
        bottom 11,
        below 16,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 7,
        above 6,
        top 12,
        bottom 8,
        below 29,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 7,
        top 10,
        bottom 17,
        below 30,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 2,
        top 6,
        bottom 14,
        below 18,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 8,
        top 15,
        bottom 13,
        below 31,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 15,
        above 10,
        top 19,
        bottom 21,
        below 22,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          45,
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          55
        },
        conformers {
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            data {
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          "6 8 10 15 17 19 20 rings"
        }
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    count {
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      atom-chiral 6,
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      bond-chiral 0,
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      bond-chiral-undef 0,
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    }
  }
}