ENTRY       C01312                      Compound
ATOM        25
            1   C1y C    18.4186  -18.8892
            2   C1y C    17.1001  -18.4673
            3   C1y C    18.4129  -20.2841
            4   C1x C    19.1219  -17.6469
            5   O2x O    17.0884  -17.0374
            6   C1x C    16.2912  -19.5984
            7   C1y C    17.1175  -20.7178
            8   C2b C    19.6201  -20.9699
            9   C2y C    18.3954  -16.4102
            10  O1a O    16.6723  -22.0775
            11  C2b C    20.8157  -20.2841
            12  C2b C    19.6318  -15.6835
            13  C1c C    22.0112  -20.9699
            14  C1b C    23.2069  -20.2841
            15  O1a O    22.0112  -22.3471
            16  C1b C    24.4024  -20.9699
            17  C1b C    25.6155  -20.2841
            18  C1b C    26.7935  -20.9699
            19  C1a C    28.0067  -20.2841
            20  C1b C    19.6427  -14.2674
            21  C1b C    20.8626  -13.5757
            22  C1b C    20.8581  -12.1641
            23  C6a C    22.0702  -11.4591
            24  O6a O    23.2908  -12.1586
            25  O6a O    22.0657  -10.0608
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1 #Down
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Up
            8     4   9 1
            9     7  10 1 #Down
            10    8  11 2
            11    9  12 2
            12   11  13 1
            13   13  14 1
            14   13  15 1 #Down
            15   14  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19    5   9 1
            20    6   7 1
            21   12  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 2
            26   23  25 1
///