ATOM        26
            1   C8y C    25.6513  -32.4749
            2   C8y C    25.5871  -33.8730
            3   C1z C    24.3173  -32.0438
            4   C8y C    26.8745  -31.7759
            5   C8y C    26.8745  -34.5777
            6   O2x O    24.3232  -34.3157
            7   C1y C    23.5019  -33.1799
            8   C1b C    23.0998  -31.3448
            9   C1a C    25.0163  -30.8265
            10  C8y C    28.0803  -32.4749
            11  C1a C    26.8745  -30.3779
            12  C8y C    28.0746  -33.8730
            13  O1a O    26.8745  -35.9817
            14  O1a O    22.1038  -33.1856
            15  C2b C    21.8883  -32.0438
            16  C5x C    29.2978  -31.7818
            17  C5x C    29.2861  -34.5837
            18  C2a C    20.6884  -31.3448
            19  C2y C    30.5095  -32.4866
            20  O5x O    29.3037  -30.3838
            21  C2y C    30.5036  -33.8846
            22  O5x O    29.2804  -35.9817
            23  O1a O    31.7268  -31.7935
            24  C1c C    31.7094  -34.5837
            25  C1a C    32.9152  -33.8789
            26  C1a C    31.7094  -35.9874
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Down
            8     3   9 1 #Up
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1
            13    7  14 1 #Either
            14    8  15 1
            15   10  16 1
            16   12  17 1
            17   15  18 2
            18   16  19 1
            19   16  20 2
            20   17  21 1
            21   17  22 2
            22   19  23 1
            23   21  24 1
            24   24  25 1
            25   24  26 1
            26    6   7 1
            27   10  12 2
            28   19  21 2