ATOM        50
            1   C1b C    54.2503  -19.6260
            2   C2b C    55.5326  -18.9832
            3   C1b C    52.9542  -18.9832
            4   C2c C    56.8288  -19.6260
            5   C1a C    58.1111  -18.9832
            6   C1a C    56.8288  -20.9330
            7   C1b C    49.1147  -19.6260
            8   C2b C    50.4039  -18.9832
            9   C1b C    47.8326  -18.9832
            10  C2c C    51.6719  -19.6260
            11  C1a C    51.6719  -20.9330
            12  C1b C    38.8309  -19.6238
            13  C2b C    40.1273  -18.9810
            14  C2c C    41.4024  -19.6238
            15  C1b C    42.6845  -18.9810
            16  C1a C    41.4024  -20.9308
            17  C1b C    43.9737  -19.6238
            18  C1b C    33.7000  -19.6238
            19  C2b C    34.9821  -18.9810
            20  C2c C    36.2713  -19.6238
            21  C1b C    37.5536  -18.9810
            22  C1a C    36.2713  -20.9308
            23  C1b C    28.5784  -19.6238
            24  C2b C    29.8605  -18.9810
            25  C2c C    31.1358  -19.6238
            26  C1b C    32.4108  -18.9810
            27  C1a C    31.1358  -20.9308
            28  C1b C    23.4286  -19.6238
            29  C2b C    24.7107  -18.9810
            30  C2c C    26.0071  -19.6238
            31  C1b C    27.2892  -18.9810
            32  C1a C    26.0071  -20.9308
            33  C1b C    18.2992  -19.6238
            34  C2b C    19.5813  -18.9810
            35  C2c C    20.8565  -19.6238
            36  C1b C    22.1457  -18.9810
            37  C1a C    20.8565  -20.9308
            38  C2b C    45.2558  -18.9810
            39  C2c C    46.5450  -19.6238
            40  C1a C    46.5450  -20.9308
            41  C2y C    17.0122  -18.9950
            42  C5x C    15.8570  -19.6709
            43  C2x C    17.0122  -17.6468
            44  C2y C    14.6841  -18.9950
            45  O5x O    15.8570  -21.0892
            46  C5x C    15.8570  -16.9686
            47  C2x C    14.6841  -17.6468
            48  O2a O    13.4749  -19.6826
            49  O5x O    15.8627  -15.6552
            50  C1a C    12.2716  -18.9950
BOND        50
            1    29  30 2
            2    14  16 1
            3    30  31 1
            4     7   9 1
            5    30  32 1
            6    31  23 1
            7    15  17 1
            8     4   5 1
            9    33  34 1
            10    8  10 2
            11   34  35 2
            12   18  19 1
            13   35  36 1
            14   10   3 1
            15   35  37 1
            16   36  28 1
            17   19  20 2
            18   17  38 1
            19    1   3 1
            20   38  39 2
            21   39   9 1
            22   20  21 1
            23   39  40 1
            24   10  11 1
            25   20  22 1
            26   21  12 1
            27    4   6 1
            28    1   2 1
            29   23  24 1
            30   12  13 1
            31   41  33 1
            32   24  25 2
            33    2   4 2
            34   25  26 1
            35   13  14 2
            36   25  27 1
            37   26  18 1
            38    7   8 1
            39   14  15 1
            40   28  29 1
            41   41  42 1
            42   41  43 2
            43   42  44 1
            44   42  45 2
            45   43  46 1
            46   44  47 2
            47   44  48 1
            48   46  49 2
            49   48  50 1
            50   46  47 1