ATOM        17
            1   C8x C    23.5900  -19.3200
            2   C8x C    23.5900  -20.7200
            3   C8x C    24.8024  -21.4200
            4   C8y C    26.0149  -20.7200
            5   C8y C    26.0149  -19.3200
            6   C8y C    24.8024  -18.6200
            7   C8y C    27.2273  -18.6200
            8   C8y C    27.2273  -17.2200
            9   C8x C    26.0149  -16.5200
            10  C8x C    24.8024  -17.2200
            11  C2x C    27.2273  -21.4200
            12  C2x C    28.4397  -20.7200
            13  C2y C    28.4397  -19.3200
            14  C2x C    29.6522  -18.6200
            15  C1y C    29.6522  -17.2200
            16  C1y C    28.4397  -16.5200
            17  O2x O    29.6521  -15.8200
BOND        21
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    6  10 2
            12    4  11 1
            13   11  12 2
            14   12  13 1
            15    7  13 1
            16   13  14 2
            17   14  15 1
            18   15  16 1
            19    8  16 1
            20   16  17 1
            21   15  17 1