PC-Compounds ::= {
  {
    id {
      id cid 68962874
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        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,
        58,
        59,
        60,
        61,
        62,
        63,
        64,
        65,
        66,
        67,
        68,
        69,
        70,
        71,
        72,
        73,
        74,
        75,
        76,
        77,
        78,
        79,
        80,
        81,
        82,
        83,
        84,
        85,
        86,
        87,
        88,
        89,
        90,
        91,
        92,
        93,
        94,
        95,
        96,
        97,
        98,
        99,
        100,
        101,
        102,
        103,
        104,
        105,
        106
      },
      element {
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        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,
        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,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        3,
        3,
        4,
        5,
        6,
        6,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        12,
        12,
        12,
        12,
        13,
        13,
        13,
        13,
        14,
        14,
        15,
        15,
        15,
        16,
        16,
        16,
        17,
        17,
        17,
        18,
        18,
        18,
        19,
        19,
        20,
        20,
        21,
        21,
        21,
        22,
        22,
        22,
        23,
        23,
        23,
        24,
        24,
        24,
        25,
        25,
        26,
        27,
        27,
        27,
        28,
        28,
        29,
        29,
        30,
        30,
        30,
        31,
        31,
        31,
        32,
        33,
        33,
        33,
        34,
        34,
        34,
        35,
        35,
        35,
        36,
        36,
        36,
        37,
        37,
        37,
        38,
        38,
        39,
        39,
        39,
        40,
        40,
        40,
        42,
        43,
        43,
        44,
        44,
        45,
        45,
        46,
        46,
        47,
        47,
        48,
        48
      },
      aid2 {
        28,
        42,
        26,
        41,
        93,
        41,
        42,
        43,
        96,
        44,
        98,
        45,
        100,
        46,
        102,
        47,
        105,
        48,
        106,
        14,
        15,
        17,
        27,
        14,
        16,
        24,
        30,
        26,
        49,
        20,
        23,
        31,
        18,
        19,
        50,
        19,
        51,
        52,
        28,
        36,
        37,
        53,
        54,
        21,
        32,
        22,
        33,
        55,
        25,
        34,
        39,
        25,
        56,
        57,
        29,
        58,
        59,
        60,
        61,
        32,
        62,
        63,
        64,
        29,
        65,
        66,
        67,
        68,
        69,
        70,
        71,
        72,
        73,
        74,
        35,
        75,
        76,
        38,
        77,
        78,
        38,
        40,
        41,
        79,
        80,
        81,
        82,
        83,
        84,
        85,
        86,
        87,
        88,
        89,
        90,
        91,
        92,
        43,
        44,
        94,
        45,
        95,
        46,
        97,
        47,
        99,
        48,
        101,
        103,
        104
      },
      order {
        single,
        single,
        double,
        single,
        single,
        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,
        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,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 12,
        above 14,
        top 17,
        bottom 15,
        below 27,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 14,
        top 24,
        bottom 16,
        below 30,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 14,
        above 12,
        top 13,
        bottom 26,
        below 49,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 15,
        above 12,
        top 20,
        bottom 23,
        below 31,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 16,
        above 13,
        top 18,
        bottom 19,
        below 50,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 21,
        above 20,
        top 33,
        bottom 22,
        below 55,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 22,
        above 21,
        top 25,
        bottom 34,
        below 39,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 28,
        above 1,
        top 29,
        bottom 18,
        below 65,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 35,
        above 33,
        top 38,
        bottom 40,
        below 41,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 43,
        above 6,
        top 44,
        bottom 42,
        below 94,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 44,
        above 7,
        top 45,
        bottom 43,
        below 95,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 45,
        above 8,
        top 44,
        bottom 46,
        below 97,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 46,
        above 9,
        top 45,
        bottom 47,
        below 99,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 47,
        above 10,
        top 48,
        bottom 46,
        below 101,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
          12,
          13,
          14,
          15,
          16,
          17,
          18,
          19,
          20,
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          22,
          23,
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          25,
          26,
          27,
          28,
          29,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
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          38,
          39,
          40,
          41,
          42,
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          44,
          45,
          46,
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          49,
          50,
          51,
          52,
          53,
          54,
          55,
          56,
          57,
          58,
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          60,
          61,
          62,
          63,
          64,
          65,
          66,
          67,
          68,
          69,
          70,
          71,
          72,
          73,
          74,
          75,
          76,
          77,
          78,
          79,
          80,
          81,
          82,
          83,
          84,
          85,
          86,
          87,
          88,
          89,
          90,
          91,
          92,
          93,
          94,
          95,
          96,
          97,
          98,
          99,
          100,
          101,
          102,
          103,
          104,
          105,
          106
        },
        conformers {
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              { -74349, 10, -4 },
              { -87635, 10, -4 },
              { 24571, 10, -4 },
              { 48812, 10, -4 },
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            y {
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            },
            data {
              {
                urn {
                  label "Conformer",
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}