ATOM        52
            1   C8y C    28.0113  -22.1062
            2   C8y C    26.8023  -22.7950
            3   C8x C    26.7944  -24.1864
            4   C8y C    27.9954  -24.8890
            5   C8x C    29.2510  -24.2002
            6   C8y C    29.2822  -22.8089
            7   C1x C    25.3909  -22.0922
            8   C1x C    30.7715  -22.1197
            9   C8x C    23.5328  -18.4637
            10  C8y C    22.8299  -19.6656
            11  C8x C    23.5193  -20.8753
            12  C8y C    24.9118  -20.8831
            13  C8y C    25.6148  -19.6812
            14  C8y C    24.9251  -18.4715
            15  C8y C    30.5261  -19.6613
            16  C8y C    31.2150  -20.8633
            17  C8x C    32.6004  -20.8676
            18  C8y C    33.2968  -19.6700
            19  C8x C    32.6080  -18.4681
            20  C8y C    31.2226  -18.4637
            21  C8x C    26.9135  -14.9914
            22  C8y C    28.0518  -17.0790
            23  C8y C    29.2529  -16.3831
            24  C8x C    29.2529  -14.9914
            25  C8y C    28.0518  -14.2954
            26  C1x C    30.7386  -17.0080
            27  C1x C    25.3618  -17.0103
            28  C8y C    26.8464  -16.3834
            29  O2a O    29.1344  -19.6567
            30  O2a O    28.0192  -20.7144
            31  O2a O    27.0063  -19.6423
            32  O2a O    28.0530  -18.4708
            33  S4a S    28.0342  -26.2808
            34  S4a S    34.6885  -19.6746
            35  S4a S    28.0535  -12.9037
            36  S4a S    21.4381  -19.6579
            37  O1d O    26.6607  -12.9037
            38  O1d O    29.4442  -12.9037
            39  O1d O    28.0572  -11.5120
            40  O1d O    34.7509  -18.2810
            41  O1d O    34.7509  -21.0645
            42  O1d O    36.0799  -19.6727
            43  O1d O    26.6371  -26.2800
            44  O1d O    29.4207  -26.2800
            45  O1d O    27.9665  -27.6726
            46  O1d O    21.4310  -18.2599
            47  O1d O    20.0464  -19.6516
            48  O1d O    21.4310  -21.0435
            49  C1a C    26.8707  -18.4637
            50  C1a C    26.9981  -21.0319
            51  C1a C    29.4091  -20.6896
            52  C1a C    29.1210  -18.2599
BOND        56
            1    11  12 2
            2    23  26 1
            3    12  13 1
            4    13  14 2
            5    27  28 1
            6    26  20 1
            7    27  14 1
            8    16   8 1
            9    12   7 1
            10   14   9 1
            11   15  29 1
            12    2   7 1
            13    1  30 1
            14    1   2 2
            15   13  31 1
            16    6   8 1
            17   22  32 1
            18    2   3 1
            19    4  33 1
            20    3   4 2
            21   18  34 1
            22    4   5 1
            23   25  35 1
            24   15  16 2
            25   10  36 1
            26   16  17 1
            27   35  37 2
            28   17  18 2
            29   35  38 2
            30   18  19 1
            31   35  39 1
            32   19  20 2
            33   34  40 2
            34   20  15 1
            35   34  41 2
            36    5   6 2
            37   34  42 1
            38    6   1 1
            39   33  43 2
            40   33  44 2
            41    9  10 2
            42   33  45 1
            43   10  11 1
            44   36  46 2
            45   21  28 2
            46   36  47 1
            47   28  22 1
            48   36  48 2
            49   22  23 2
            50   32  49 1
            51   23  24 1
            52   31  50 1
            53   24  25 2
            54   30  51 1
            55   25  21 1
            56   29  52 1