PC-Compounds ::= {
  {
    id {
      id cid 60193453
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
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        16,
        17,
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        20,
        21,
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        25,
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        30,
        31,
        32,
        33,
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        36,
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        39,
        40,
        41,
        42,
        43,
        44,
        45,
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        47,
        48,
        49
      },
      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,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        2,
        3,
        3,
        4,
        4,
        4,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        13,
        13,
        14,
        14,
        16,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        20,
        21,
        22,
        23,
        23,
        24,
        24,
        25,
        25,
        26,
        27,
        27,
        27
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      aid2 {
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        14,
        39,
        22,
        27,
        6,
        9,
        12,
        15,
        7,
        14,
        28,
        9,
        13,
        29,
        10,
        11,
        12,
        30,
        15,
        31,
        11,
        32,
        33,
        34,
        35,
        16,
        17,
        36,
        37,
        18,
        19,
        20,
        38,
        21,
        40,
        22,
        23,
        21,
        41,
        42,
        24,
        25,
        43,
        26,
        44,
        26,
        45,
        46,
        47,
        48,
        49
      },
      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,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 4,
        top 7,
        bottom 14,
        below 28,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 7,
        above 6,
        top 13,
        bottom 9,
        below 29,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 4,
        top 15,
        bottom 7,
        below 31,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49
        },
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            data {
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    props {
      {
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        }
      }
    },
    count {
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      atom-chiral 3,
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  }
}