ATOM        22
            1   C2y C    41.1534  -17.0194
            2   C8y C    40.3113  -15.9098
            3   C8y C    40.6465  -14.5530
            4   C1x C    41.9075  -13.9749
            5   N2x N    42.5592  -17.0446
            6   C8y C    43.1611  -14.5972
            7   C8y C    43.4476  -15.9659
            8   C8x C    39.6394  -13.5846
            9   C8x C    38.2974  -13.9727
            10  C8x C    37.9622  -15.3295
            11  C8x C    38.9693  -16.2976
            12  C8x C    44.7788  -16.4030
            13  C8x C    45.8230  -15.4686
            14  C8x C    45.5366  -14.0999
            15  C8x C    44.2052  -13.6628
            16  N1y N    40.5189  -18.2691
            17  C1x C    39.1173  -18.2691
            18  C1x C    38.4165  -19.4829
            19  N1y N    39.1173  -20.6969
            20  C1x C    40.5189  -20.6969
            21  C1x C    41.2197  -19.4829
            22  C1a C    38.4103  -21.9209
BOND        25
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    7  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    6  15 2
            18    1  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   16  21 1
            25   19  22 1