ATOM        56
            1   C1y C    29.0971  -17.6956
            2   C1y C    30.2866  -17.0027
            3   C1y C    27.9337  -17.0027
            4   O7a O    29.0913  -18.9783
            5   C1y C    30.2866  -15.6552
            6   O7a O    31.4699  -17.7534
            7   C1y C    27.9337  -15.6552
            8   O7x O    25.7411  -18.1209
            9   C7a C    28.1058  -19.7063
            10  O2x O    29.0971  -14.9809
            11  C7a C    31.4699  -19.1138
            12  C1x C    26.7676  -14.9809
            13  C7x C    25.7411  -19.6276
            14  C8y C    28.1394  -21.0022
            15  O6a O    26.9705  -19.0534
            16  C8y C    32.6406  -19.7938
            17  O6a O    30.2924  -19.7938
            18  O7x O    25.7211  -15.8425
            19  C8y C    24.5704  -20.3076
            20  O6a O    26.8838  -20.3381
            21  C8x C    26.9059  -21.7056
            22  C8x C    29.2574  -21.6588
            23  C8x C    32.6406  -21.1659
            24  C8x C    33.8111  -19.1138
            25  C7x C    24.5506  -15.1623
            26  C8x C    24.5704  -21.6866
            27  C8y C    23.3941  -19.6276
            28  C8y C    26.8476  -23.0720
            29  C8y C    29.2868  -23.0309
            30  C8y C    33.8111  -21.8575
            31  C8y C    35.0064  -19.7938
            32  C8y C    23.3729  -15.8425
            33  O6a O    24.5506  -13.8021
            34  C8y C    23.3941  -22.3785
            35  C8y C    22.1989  -20.3076
            36  C8y C    28.1175  -23.7343
            37  O1a O    25.7388  -23.7694
            38  O1a O    30.4831  -23.6734
            39  C8y C    35.0064  -21.1659
            40  O1a O    33.8111  -23.2121
            41  O1a O    36.1840  -19.1081
            42  C8y C    23.3729  -17.2156
            43  C8x C    22.2022  -15.1623
            44  C8y C    22.1989  -21.6866
            45  O1a O    23.3999  -23.7387
            46  O1a O    21.0282  -19.6276
            47  O1a O    28.1569  -25.3066
            48  O1a O    36.1898  -21.8400
            49  C8y C    22.2022  -17.9134
            50  C8y C    21.0141  -15.8425
            51  O1a O    21.0282  -22.3609
            52  C8y C    21.0141  -17.2156
            53  O1a O    22.2022  -19.2747
            54  O1a O    19.8295  -15.1565
            55  O1a O    19.8237  -17.8958
            56  O1a O    31.5103  -14.9368
BOND        61
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1 #Up
            12    8  13 1
            13    9  14 1
            14    9  15 2
            15   11  16 1
            16   11  17 2
            17   12  18 1
            18   13  19 1
            19   13  20 2
            20   14  21 1
            21   14  22 2
            22   16  23 1
            23   16  24 2
            24   18  25 1
            25   19  26 1
            26   19  27 2
            27   21  28 2
            28   22  29 1
            29   23  30 2
            30   24  31 1
            31   25  32 1
            32   25  33 2
            33   26  34 2
            34   27  35 1
            35   28  36 1
            36   28  37 1
            37   29  38 1
            38   30  39 1
            39   30  40 1
            40   31  41 1
            41   32  42 1
            42   32  43 2
            43   34  44 1
            44   34  45 1
            45   35  46 1
            46   36  47 1
            47   39  48 1
            48   42  49 2
            49   43  50 1
            50   44  51 1
            51   49  52 1
            52   49  53 1
            53   50  54 1
            54   52  55 1
            55    7  10 1
            56   29  36 2
            57   31  39 2
            58   35  44 2
            59   50  52 2
            60   42  27 1
            61    5  56 1