ATOM        50
            1   C1b C    12.4432  -17.4181
            2   C1b C    13.6401  -16.7270
            3   C1c C    14.8372  -17.4181
            4   C1c C    16.0342  -16.7270
            5   C1c C    17.2311  -17.4181
            6   C1b C    18.4282  -16.7270
            7   C1c C    19.6252  -17.4181
            8   C1b C    20.8221  -16.7270
            9   C1c C    22.0192  -17.4181
            10  C1b C    23.2162  -16.7270
            11  C1b C    24.4132  -17.4181
            12  C1b C    25.6102  -16.7270
            13  C1b C    26.8072  -17.4181
            14  C1c C    28.0042  -16.7270
            15  C1b C    29.2012  -17.4181
            16  C1c C    30.3982  -16.7270
            17  C1c C    31.5952  -17.4181
            18  C1a C    32.7922  -16.7270
            19  N1a N    31.5952  -18.8003
            20  O1a O    30.3982  -15.3450
            21  O1a O    28.0042  -15.3449
            22  O1a O    22.0192  -18.8000
            23  C1a C    19.6252  -18.8003
            24  O7a O    17.2311  -20.1133
            25  O7a O    16.0342  -15.3449
            26  C1a C    14.8372  -18.8001
            27  C1b C    11.2462  -16.7270
            28  C1a C    10.0659  -17.4086
            29  C7a C    16.0147  -20.8045
            30  C1b C    14.8177  -20.1134
            31  C1c C    13.6207  -20.8045
            32  C1b C    12.4237  -20.1134
            33  C6a C    11.2267  -20.8045
            34  C7a C    14.8392  -14.6550
            35  C1b C    13.6599  -15.3360
            36  C1c C    12.4872  -14.6589
            37  C1b C    11.3114  -15.3379
            38  C6a C    10.1369  -14.6600
            39  O6a O    16.0099  -22.1863
            40  C6a C    13.6207  -22.1866
            41  O6a O    12.4217  -22.8789
            42  O6a O    14.8157  -22.8765
            43  O6a O    10.0093  -20.1013
            44  O6a O    11.2266  -21.9790
            45  O6a O    14.8391  -13.2718
            46  C6a C    12.4870  -13.2718
            47  O6a O    11.3089  -12.5916
            48  O6a O    13.7029  -12.5695
            49  O6a O     8.9620  -15.3386
            50  O6a O    10.1366  -13.4100
BOND        49
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   17  19 1 #Down
            19   16  20 1 #Down
            20   14  21 1 #Up
            21    9  22 1 #Up
            22    7  23 1 #Down
            23    5  24 1 #Down
            24    4  25 1 #Up
            25    3  26 1 #Down
            26    1  27 1
            27   27  28 1
            28   24  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   32  33 1
            33   25  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   29  39 2
            39   31  40 1 #Up
            40   40  41 1
            41   40  42 2
            42   33  43 1
            43   33  44 2
            44   34  45 2
            45   36  46 1 #Down
            46   46  47 1
            47   46  48 2
            48   38  49 1
            49   38  50 2

COMPOUND: C19241