ATOM        92
            1   C8y C    21.6796  -16.0120
            2   C8y C    20.4864  -15.3353
            3   C8y C    22.8725  -15.3175
            4   C8y C    21.6884  -17.4009
            5   C8y C    20.4774  -13.9464
            6   C8x C    19.2933  -16.0296
            7   N1b N    24.0744  -16.0120
            8   C8x C    22.8725  -13.9374
            9   C8x C    20.4952  -18.1042
            10  S4a S    22.8815  -18.0952
            11  C8x C    21.6705  -13.2428
            12  S4a S    19.2755  -13.2428
            13  C8y C    19.3023  -17.4097
            14  C5a C    25.2854  -15.3084
            15  O1d O    22.1870  -19.2883 #-
            16  O1d O    23.5670  -16.8933
            17  O1d O    24.0744  -18.7988
            18  O1d O    18.0736  -12.5573 #-
            19  S4a S    18.1001  -18.1130
            20  C8y C    26.4517  -15.9852
            21  O5a O    25.2766  -13.9286
            22  O1d O    17.3880  -16.9111
            23  O1d O    16.8982  -18.8076
            24  O1d O    18.7769  -19.3061 #-
            25  C8x C    26.4695  -17.3384
            26  C8x C    27.6179  -15.2996
            27  C8y C    27.6179  -17.9973
            28  C8x C    28.7933  -15.9764
            29  N1b N    27.6270  -19.3508
            30  C8y C    28.7933  -17.3296
            31  C5a C    26.4695  -20.0363
            32  C1a C    29.9686  -17.9973
            33  C8y C    26.4695  -21.3896
            34  O5a O    25.2941  -19.3596
            35  C8x C    27.6448  -22.0485
            36  C8x C    25.3032  -22.0485
            37  C8y C    27.6448  -23.4108
            38  C8x C    25.2941  -23.4108
            39  N1b N    29.0387  -24.1585
            40  C8x C    26.4695  -24.1051
            41  C5a C    30.7631  -23.5239
            42  N1b N    32.4074  -24.0493
            43  O5a O    30.7631  -22.1707
            44  C8y C    33.9718  -23.3904
            45  C8x C    33.9718  -22.0460
            46  C8x C    35.1649  -24.0672
            47  C8y C    35.1471  -21.3692
            48  C8x C    36.3134  -23.3904
            49  C5a C    35.1380  -20.0160
            50  C8x C    36.3134  -22.0460
            51  N1b N    33.9452  -19.3305
            52  O5a O    36.2956  -19.3305
            53  C8y C    33.9452  -17.9860
            54  C8x C    35.1293  -17.3271
            55  C8y C    32.7698  -17.3449
            56  C8y C    35.1202  -15.9739
            57  C8x C    32.7610  -15.9826
            58  C1a C    31.6123  -18.0216
            59  C5a C    36.2777  -15.2793
            60  C8x C    33.9273  -15.2971
            61  N1b N    37.4797  -15.9648
            62  O5a O    36.2599  -13.8992
            63  C8y C    38.6728  -15.2527
            64  C8y C    39.8569  -15.9648
            65  C8x C    38.6728  -13.8726
            66  C8y C    41.0588  -15.2705
            67  C8y C    39.8569  -17.3449
            68  C8x C    39.8747  -13.1959
            69  C8y C    41.0679  -13.8814
            70  C8x C    42.2520  -15.9739
            71  C8x C    41.0501  -18.0395
            72  S4a S    38.6640  -18.0304
            73  S4a S    42.2698  -13.1959
            74  C8y C    42.3132  -17.3539
            75  O1d O    37.9873  -16.8285
            76  O1d O    37.4619  -18.7250
            77  O1d O    39.3762  -19.2236 #-
            78  O1d O    43.4896  -12.4925 #-
            79  S4a S    43.4539  -18.0482
            80  O1d O    42.7418  -19.2414 #-
            81  O1d O    44.1307  -16.8463
            82  O1d O    44.6471  -18.7428
            83  O1d O    19.9749  -12.0323
            84  O1d O    18.5744  -14.4562
            85  O1d O    42.9837  -14.4403
            86  O1d O    41.5904  -12.0116
            87  Z   Na   16.1050  -12.5462 #+
            88  Z   Na   18.4875  -20.3777 #+
            89  Z   Na   21.7678  -20.4525 #+
            90  Z   Na   39.2678  -20.5139 #+
            91  Z   Na   42.6447  -20.3476 #+
            92  Z   Na   44.9231  -12.4800 #+
BOND        93
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14   10  15 1
            15   10  16 2
            16   10  17 2
            17   12  18 1
            18   13  19 1
            19   14  20 1
            20   14  21 2
            21   19  22 2
            22   19  23 2
            23   19  24 1
            24   20  25 2
            25   20  26 1
            26   25  27 1
            27   26  28 2
            28   27  29 1
            29   27  30 2
            30   29  31 1
            31   30  32 1
            32   31  33 1
            33   31  34 2
            34   33  35 2
            35   33  36 1
            36   35  37 1
            37   36  38 2
            38   37  39 1
            39   37  40 2
            40   39  41 1
            41   41  42 1
            42   41  43 2
            43   42  44 1
            44   44  45 1
            45   44  46 2
            46   45  47 2
            47   46  48 1
            48   47  49 1
            49   47  50 1
            50   49  51 1
            51   49  52 2
            52   51  53 1
            53   53  54 2
            54   53  55 1
            55   54  56 1
            56   55  57 2
            57   55  58 1
            58   56  59 1
            59   56  60 2
            60   59  61 1
            61   59  62 2
            62   61  63 1
            63   63  64 1
            64   63  65 2
            65   64  66 2
            66   64  67 1
            67   65  68 1
            68   66  69 1
            69   66  70 1
            70   67  71 2
            71   67  72 1
            72   69  73 1
            73   70  74 2
            74   72  75 2
            75   72  76 2
            76   72  77 1
            77   73  78 1
            78   74  79 1
            79   79  80 1
            80   79  81 2
            81   79  82 2
            82    8  11 1
            83    9  13 1
            84   28  30 1
            85   38  40 1
            86   48  50 2
            87   57  60 1
            88   68  69 2
            89   71  74 1
            90   12  83 2
            91   12  84 2
            92   73  85 2
            93   73  86 2