PC-Compounds ::= {
  {
    id {
      id cid 5470068
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
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        16,
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        20,
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        22,
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        27,
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        30,
        31,
        32,
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        34,
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        36,
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        38,
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        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52,
        53
      },
      element {
        i,
        o,
        o,
        o,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
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        h,
        h,
        h,
        h,
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        h,
        h,
        h,
        h,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        2,
        2,
        3,
        3,
        4,
        5,
        5,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        13,
        15,
        15,
        15,
        16,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        20,
        20,
        21,
        21,
        21,
        22,
        23,
        23,
        23,
        24,
        24,
        24
      },
      aid2 {
        8,
        7,
        14,
        9,
        39,
        14,
        6,
        7,
        10,
        25,
        8,
        26,
        27,
        11,
        28,
        9,
        29,
        12,
        13,
        14,
        17,
        16,
        30,
        31,
        15,
        32,
        33,
        34,
        35,
        36,
        18,
        37,
        38,
        19,
        23,
        40,
        41,
        22,
        42,
        20,
        43,
        21,
        44,
        45,
        22,
        46,
        47,
        24,
        48,
        49,
        50,
        51,
        52,
        53
      },
      order {
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 5,
        above 6,
        top 10,
        bottom 7,
        below 25,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 7,
        above 2,
        top 11,
        bottom 5,
        below 28,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 1,
        top 6,
        bottom 9,
        below 29,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 3,
        top 8,
        bottom 12,
        below 13,
        parity clockwise,
        type tetrahedral
      },
      planar {
        left 16,
        ltop 11,
        lbottom 23,
        right 19,
        rtop 43,
        rbottom 20,
        parity opposite,
        type planar
      },
      planar {
        left 18,
        ltop 15,
        lbottom 42,
        right 22,
        rtop 21,
        rbottom 24,
        parity same,
        type planar
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          43,
          44,
          45,
          46,
          47,
          48,
          49,
          50,
          51,
          52,
          53
        },
        conformers {
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            z {
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            data {
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        data {
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          {
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    props {
      {
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      }
    },
    count {
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    }
  }
}