ATOM        100
            1   Z   R#   33.3200  -30.2400
            2   C1y C    29.5400  -17.5700
            3   C8y C    37.9400  -16.9400
            4   C8y C    36.7500  -17.6400
            5   C8y C    39.1300  -17.5700
            6   C8x C    36.7500  -19.0400
            7   O2x O    35.5600  -16.9400
            8   C8x C    39.1300  -18.9700
            9   O2x O    40.3900  -16.8700
            10  C8y C    38.0100  -19.6700
            11  C8y C    34.3700  -17.6400
            12  C8y C    41.5800  -17.5700
            13  C1y C    38.0100  -21.8400
            14  C8y C    34.3700  -19.0400
            15  C8x C    33.1100  -16.9400
            16  C8y C    42.7700  -16.8700
            17  C8x C    41.5800  -18.9000
            18  C5x C    36.8900  -22.5400
            19  N1x N    39.2700  -22.4700
            20  C8x C    33.1800  -19.7400
            21  X   Cl   35.5600  -19.7400
            22  C8x C    31.9900  -17.6400
            23  C8x C    43.9600  -17.5000
            24  X   Cl   42.7700  -15.4700
            25  C8x C    42.8400  -19.6000
            26  N1x N    35.6300  -21.8400
            27  O5x O    36.8900  -23.9400
            28  C5x C    40.4600  -21.7700
            29  C8y C    31.9900  -19.0400
            30  C8y C    43.9600  -18.9000
            31  C1y C    34.5100  -22.5400
            32  C1y C    41.6500  -22.4000
            33  O5x O    40.4600  -20.3700
            34  C1y C    30.8000  -19.8100
            35  C1x C    45.2200  -19.6000
            36  C8y C    34.5100  -23.9400
            37  C5x C    33.2500  -21.8400
            38  N1x N    42.8400  -21.7000
            39  C1y C    30.8000  -21.8400
            40  O2a O    29.5400  -19.1100
            41  C1y C    45.2200  -21.7000
            42  C8x C    33.2500  -24.6400
            43  C8x C    35.7000  -24.6400
            44  N1x N    32.0600  -22.5400
            45  C5x C    44.0300  -22.4000
            46  C5x C    29.6100  -22.6100
            47  C8y C    33.2500  -26.0400
            48  C8x C    35.7000  -26.0400
            49  O5x O    44.0300  -23.8000
            50  N1x N    29.6100  -23.9400
            51  O5x O    28.3500  -21.9100
            52  C8y C    32.0600  -26.7400
            53  C8y C    34.5100  -26.7400
            54  C1y C    30.8700  -24.6400
            55  C8y C    30.8700  -26.0400
            56  C8y C    32.0600  -28.1400
            57  O1a O    34.5100  -28.1400
            58  C6a C    28.5600  -26.0400
            59  C8x C    29.7500  -26.7400
            60  C8x C    30.9400  -28.8400
            61  O2a O    33.3200  -28.8400
            62  O6a O    27.1600  -26.0400
            63  O6a O    28.5600  -27.4400
            64  C8y C    29.7500  -28.1400
            65  O1a O    28.4900  -28.9100
            66  C8y C    41.6500  -23.8000
            67  C8x C    40.4600  -24.5000
            68  C8y C    40.4600  -25.9000
            69  C8x C    41.6500  -26.6000
            70  C8y C    42.8400  -25.9000
            71  C8x C    42.8400  -24.5000
            72  O1a O    39.2700  -26.6000
            73  O5x O    33.2500  -20.4400
            74  O2x O    44.0553  -26.5951
            75  C8y C    44.0611  -27.9997
            76  C8y C    42.8285  -28.7186
            77  C8x C    42.8346  -30.1185
            78  C8x C    44.0501  -30.8132
            79  C8y C    45.2828  -30.0943
            80  C8x C    45.2766  -28.6943
            81  O1a O    41.6138  -28.0244
            82  C1y C    46.5062  -30.7935
            83  C5x C    47.6931  -30.1011
            84  O5x O    48.8907  -30.7856
            85  N1x N    47.6953  -22.3951
            86  N1a N    46.5125  -32.1996
            87  O2x O    30.7524  -16.8700
            88  C1y C    30.7524  -15.4700
            89  C1y C    29.5400  -14.7700
            90  C1y C    28.3276  -15.4700
            91  C1y C    28.3276  -16.8700
            92  C1b C    31.9479  -14.7796
            93  O1a O    27.1321  -14.7796
            94  O1a O    29.5400  -13.3700
            95  N1b N    27.1321  -17.5604
            96  C5a C    27.1320  -18.9697
            97  C1a C    25.9406  -19.6578
            98  O5a O    28.3654  -19.6821
            99  O1a O    33.1353  -15.4651
            100 O1a O    37.9086  -15.5404
BOND        111
            1    13  18 1
            2    13  19 1 #Up
            3    14  20 2
            4    14  21 1
            5    15  22 1
            6    16  23 2
            7    16  24 1
            8    17  25 1
            9    18  26 1
            10   18  27 2
            11   19  28 1
            12   20  29 1
            13   23  30 1
            14   31  26 1 #Down
            15   28  32 1
            16   28  33 2
            17   29  34 1
            18   30  35 1
            19   31  36 1
            20   31  37 1
            21   32  38 1 #Up
            22   34  39 1
            23   34  40 1 #Down
            24   35  41 1
            25   36  42 1
            26   36  43 2
            27   37  44 1
            28   38  45 1
            29   39  46 1
            30   42  47 2
            31   43  48 1
            32   45  49 2
            33   46  50 1
            34   46  51 2
            35   47  52 1
            36   47  53 1
            37   54  50 1
            38   52  55 2
            39   52  56 1
            40   53  57 1
            41   54  58 1 #Down
            42   55  59 1
            43   56  60 2
            44   56  61 1
            45   58  62 1
            46   58  63 2
            47   59  64 2
            48   64  65 1
            49    8  10 2
            50   22  29 2
            51   25  30 2
            52   39  44 1 #Down
            53   41  45 1
            54   48  53 2
            55   54  55 1
            56   60  64 1
            57    3   4 1
            58    3   5 2
            59   32  66 1
            60    4   6 2
            61    4   7 1
            62    5   8 1
            63    5   9 1
            64   66  67 2
            65   67  68 1
            66   68  69 2
            67   69  70 1
            68   70  71 2
            69   71  66 1
            70    6  10 1
            71   68  72 1
            72    7  11 1
            73    9  12 1
            74   10  13 1
            75   11  14 1
            76   11  15 2
            77   12  16 1
            78   12  17 2
            79   37  73 2
            80    2  40 1 #Up
            81   70  74 1
            82   74  75 1
            83   75  76 2
            84   76  77 1
            85   77  78 2
            86   78  79 1
            87   79  80 2
            88   75  80 1
            89   76  81 1
            90   79  82 1
            91   82  83 1
            92   83  84 2
            93   41  85 1 #Up
            94   82  86 1 #Down
            95   85  83 1
            96    2  87 1
            97   87  88 1
            98   88  89 1
            99   89  90 1
            100  90  91 1
            101   2  91 1
            102  88  92 1 #Up
            103  90  93 1 #Up
            104  89  94 1 #Down
            105  91  95 1 #Down
            106  95  96 1
            107  96  97 1
            108  96  98 2
            109  92  99 1
            110   3 100 1
            111   1  61 1 #Up