ATOM        26
            1   C8x C    17.9900  -18.4100
            2   C8x C    17.9900  -19.8100
            3   C8x C    19.2024  -20.5100
            4   C8y C    20.4149  -19.8100
            5   C8y C    20.4149  -18.4100
            6   C8x C    19.2024  -17.7100
            7   C5x C    21.6273  -20.5100
            8   C8y C    22.8397  -19.8100
            9   C8y C    22.8397  -18.4100
            10  C8y C    21.6273  -17.7100
            11  C8y C    24.0522  -17.7100
            12  C8y C    24.0522  -16.3100
            13  C8x C    22.8397  -15.6100
            14  C8x C    21.6273  -16.3100
            15  C8x C    24.0522  -20.5100
            16  C8x C    25.2646  -19.8100
            17  C8y C    25.2646  -18.4100
            18  C8y C    26.4770  -17.7100
            19  C8y C    26.4770  -16.3100
            20  C5x C    25.2646  -15.6100
            21  C8x C    27.6895  -18.4100
            22  C8x C    28.9019  -17.7100
            23  C8x C    28.9019  -16.3100
            24  C8x C    27.6895  -15.6100
            25  O5x O    21.6273  -21.9100
            26  O5x O    25.2646  -14.2100
BOND        31
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   10  14 2
            17    8  15 2
            18   15  16 1
            19   16  17 2
            20   17  11 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   12  20 1
            25   18  21 2
            26   21  22 1
            27   22  23 2
            28   23  24 1
            29   19  24 2
            30    7  25 2
            31   20  26 2