ATOM        12
            1   C1c C    26.5299  -21.0524
            2   C1c C    27.7434  -21.7409
            3   C1c C    25.3164  -21.7468
            4   O1a O    26.5299  -19.6464
            5   C1c C    28.9571  -21.0408
            6   O1a O    27.7434  -23.1412
            7   C6a C    24.1027  -21.0583
            8   O1a O    25.3221  -23.1529
            9   C1a C    30.1706  -21.7351
            10  O1a O    28.9512  -19.6404
            11  O6a O    22.8950  -21.7526
            12  O6a O    24.1027  -19.6521
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1 #Up
            8     5   9 1
            9     5  10 1 #Down
            10    7  11 1
            11    7  12 2