PC-Compounds ::= {
  {
    id {
      id cid 441145
    },
    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,
        107,
        108,
        109
      },
      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,
        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,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        12,
        12,
        12,
        13,
        13,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        19,
        20,
        20,
        20,
        21,
        21,
        22,
        22,
        22,
        23,
        23,
        24,
        24,
        24,
        25,
        25,
        25,
        26,
        26,
        27,
        27,
        27,
        28,
        28,
        28,
        29,
        29,
        29,
        30,
        31,
        31,
        31,
        32,
        32,
        32,
        33,
        33,
        33,
        34,
        34,
        34,
        35,
        35,
        35,
        36,
        36,
        36,
        37,
        38,
        38,
        38,
        39,
        39,
        40,
        40,
        40,
        41,
        41,
        41,
        42,
        42,
        42,
        43,
        43,
        44,
        44,
        44,
        45,
        45,
        45,
        47,
        47,
        47
      },
      aid2 {
        12,
        14,
        13,
        17,
        15,
        22,
        17,
        27,
        26,
        37,
        30,
        94,
        37,
        101,
        39,
        47,
        43,
        105,
        46,
        109,
        46,
        15,
        16,
        24,
        14,
        20,
        28,
        18,
        48,
        19,
        49,
        18,
        50,
        51,
        21,
        25,
        52,
        53,
        23,
        32,
        54,
        21,
        55,
        56,
        57,
        58,
        23,
        26,
        59,
        60,
        61,
        35,
        62,
        63,
        30,
        64,
        65,
        31,
        66,
        29,
        33,
        67,
        68,
        69,
        70,
        30,
        38,
        71,
        72,
        34,
        40,
        73,
        74,
        75,
        76,
        39,
        41,
        77,
        36,
        78,
        79,
        80,
        81,
        82,
        37,
        42,
        83,
        43,
        84,
        85,
        86,
        44,
        87,
        88,
        89,
        90,
        91,
        92,
        93,
        95,
        96,
        97,
        98,
        99,
        45,
        46,
        100,
        102,
        103,
        104,
        106,
        107,
        108
      },
      order {
        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,
        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 1,
        top 16,
        bottom 15,
        below 24,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 2,
        top 20,
        bottom 14,
        below 28,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 14,
        above 1,
        top 13,
        bottom 18,
        below 48,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 15,
        above 3,
        top 12,
        bottom 19,
        below 49,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 17,
        above 2,
        top 21,
        bottom 4,
        below 25,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 19,
        above 15,
        top 32,
        bottom 23,
        below 54,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 22,
        above 3,
        top 26,
        bottom 23,
        below 59,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 26,
        above 5,
        top 31,
        bottom 22,
        below 66,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 27,
        above 4,
        top 29,
        bottom 33,
        below 67,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 29,
        above 27,
        top 30,
        bottom 38,
        below 71,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 30,
        above 6,
        top 25,
        bottom 29,
        below 72,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 31,
        above 26,
        top 40,
        bottom 34,
        below 73,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 33,
        above 27,
        top 41,
        bottom 39,
        below 77,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 36,
        above 34,
        top 42,
        bottom 37,
        below 83,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 37,
        above 5,
        top 36,
        bottom 7,
        below 43,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 39,
        above 8,
        top 44,
        bottom 33,
        below 87,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 44,
        above 39,
        top 46,
        bottom 45,
        below 100,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        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,
          107,
          108,
          109
        },
        conformers {
          {
            x {
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              { -15875, 10, -4 },
              { 34324, 10, -4 },
              { -35738, 10, -4 },
              { 40397, 10, -4 },
              { -667, 10, -3 },
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              { -81442, 10, -4 },
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              { -65509, 10, -4 },
              { -13125, 10, -4 }
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            y {
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              { -13587, 10, -4 },
              { -7602, 10, -4 },
              { 103, 10, -2 },
              { 1093, 10, -3 },
              { 12093, 10, -4 },
              { 23373, 10, -4 },
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              { 22444, 10, -4 },
              { 38306, 10, -4 },
              { 13812, 10, -4 }
            },
            z {
              { 913, 10, -3 },
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              { 6662, 10, -4 },
              { -14411, 10, -4 },
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              { 768, 10, -3 },
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