PC-Compounds ::= {
  {
    id {
      id cid 5362449
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
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        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45
      },
      element {
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        2,
        3,
        3,
        3,
        3,
        4,
        4,
        4,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        14,
        15,
        15,
        16,
        16,
        16,
        17,
        17,
        18,
        19,
        20,
        20,
        20
      },
      aid2 {
        18,
        20,
        5,
        11,
        16,
        4,
        6,
        7,
        9,
        5,
        8,
        21,
        10,
        22,
        11,
        23,
        24,
        12,
        25,
        26,
        13,
        27,
        28,
        14,
        15,
        14,
        29,
        30,
        31,
        32,
        13,
        33,
        34,
        35,
        36,
        17,
        18,
        37,
        38,
        39,
        40,
        19,
        41,
        19,
        42,
        43,
        44,
        45
      },
      order {
        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,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 3,
        above 4,
        top 7,
        bottom 6,
        below 9,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 4,
        above 3,
        top 8,
        bottom 5,
        below 21,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 5,
        above 2,
        top 4,
        bottom 10,
        below 22,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
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        aid {
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          40,
          41,
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          44,
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        },
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}