ENTRY       C15643                      Compound
ATOM        28
            1   C2x C    15.4700  -16.9400
            2   C5x C    15.4700  -18.3400
            3   C2x C    16.6824  -19.0400
            4   C2y C    17.8949  -18.3400
            5   C1z C    17.8949  -16.9400
            6   C2x C    16.6824  -16.2400
            7   C1x C    19.1073  -19.0400
            8   C1x C    20.3197  -18.3400
            9   C1y C    20.3197  -16.9400
            10  C1z C    19.1073  -16.2400
            11  C1y C    21.5322  -16.2400
            12  C1z C    21.5322  -14.8400
            13  C1x C    20.3197  -14.1400
            14  C1y C    19.1073  -14.8400
            15  C1x C    23.9570  -16.2400
            16  C1y C    23.9570  -14.8400
            17  C1z C    22.7446  -14.1400
            18  C5a C    22.7446  -12.2500
            19  C1b C    23.9611  -11.5477
            20  O5a O    21.5362  -11.5523
            21  O1a O    25.1586  -12.2392
            22  O1a O    23.7511  -13.1577
            23  C1a C    25.1566  -14.1473
            24  X   F    19.1073  -17.6400
            25  O5x O    14.2576  -19.0400
            26  C1a C    21.5322  -13.4400
            27  C1a C    17.8949  -15.5400
            28  O1a O    18.1174  -13.8501
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 2
            23   19  21 1
            24   17  22 1 #Down
            25   16  23 1 #Down
            26   10  24 1 #Down
            27    2  25 2
            28   11  15 1
            29   12  26 1 #Up
            30    5  27 1 #Up
            31   14  28 1 #Up
///