PC-Compounds ::= {
  {
    id {
      id cid 44566630
    },
    atoms {
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
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        20,
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        22,
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        24,
        25,
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        27,
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        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52,
        53,
        54,
        55,
        56,
        57
      },
      element {
        o,
        o,
        o,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        h,
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        h,
        h,
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        h,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        3,
        4,
        5,
        5,
        5,
        6,
        6,
        6,
        6,
        7,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        13,
        14,
        14,
        14,
        15,
        15,
        15,
        16,
        16,
        16,
        17,
        17,
        17,
        20,
        20,
        21,
        21,
        21,
        22,
        23,
        24,
        24,
        24,
        25,
        25,
        25,
        26,
        26,
        27,
        28,
        28,
        28
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      aid2 {
        22,
        27,
        18,
        19,
        27,
        9,
        20,
        25,
        8,
        9,
        11,
        14,
        8,
        10,
        15,
        16,
        13,
        29,
        10,
        30,
        19,
        31,
        12,
        18,
        32,
        20,
        21,
        24,
        17,
        33,
        34,
        22,
        35,
        36,
        18,
        37,
        38,
        23,
        39,
        40,
        19,
        23,
        41,
        42,
        43,
        22,
        44,
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        46,
        26,
        47,
        48,
        49,
        50,
        51,
        52,
        53,
        54,
        28,
        55,
        56,
        57
      },
      order {
        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,
        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
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 8,
        top 9,
        bottom 11,
        below 14,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 7,
        above 8,
        top 15,
        bottom 10,
        below 16,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 6,
        top 7,
        bottom 13,
        below 29,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 5,
        top 6,
        bottom 10,
        below 30,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 7,
        top 9,
        bottom 19,
        below 31,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 11,
        above 6,
        top 12,
        bottom 18,
        below 32,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 11,
        top 21,
        bottom 20,
        below 24,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 17,
        above 13,
        top 23,
        bottom 19,
        below 41,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 22,
        above 1,
        top 21,
        bottom 14,
        below 46,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          49,
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          51,
          52,
          53,
          54,
          55,
          56,
          57
        },
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    props {
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    },
    count {
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}