ATOM        25
            1   C8x C    21.8383  -21.8142
            2   C8x C    21.8383  -23.1473
            3   C8x C    23.0311  -23.8490
            4   C8x C    24.2239  -23.1473
            5   C8y C    24.2239  -21.8142
            6   C8x C    23.0311  -21.1125
            7   C8x C    26.6095  -23.1473
            8   C8y C    26.6095  -21.8142
            9   C1d C    25.4167  -21.1125
            10  C8x C    27.7321  -23.8490
            11  C8x C    28.9249  -23.1473
            12  C8x C    28.9249  -21.8142
            13  C8x C    27.7321  -21.1125
            14  C1b C    25.4167  -19.7092
            15  C1c C    26.6095  -19.0778
            16  C1c C    23.3819  -19.9899
            17  C1a C    27.7321  -19.7092
            18  N1b N    26.6095  -17.6745
            19  C1a C    25.3465  -16.9728
            20  O7a O    23.3819  -18.6568
            21  C1b C    22.1891  -20.6916
            22  C1a C    21.0665  -19.9899
            23  C7a C    22.1891  -17.9551
            24  C1a C    20.9963  -18.6568
            25  O6a O    22.1891  -16.5518
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 1
            16   14  15 1
            17    9  16 1
            18   15  17 1
            19   15  18 1 #Up
            20   18  19 1
            21   16  20 1 #Down
            22   16  21 1
            23   21  22 1
            24   20  23 1
            25   23  24 1
            26   23  25 2