ENTRY       C13508                      Compound
ATOM        26
            1   S4a S    21.9800  -22.1200
            2   O1d O    21.9800  -20.6500
            3   O1d O    20.5100  -22.1200
            4   O1d O    21.9800  -23.5200
            5   O2a O    28.2100  -22.1200
            6   C1y C    27.0200  -22.7500
            7   O2x O    25.7600  -22.1200
            8   C1y C    27.0200  -24.1500
            9   C1y C    24.6400  -22.7500
            10  C1y C    25.7600  -24.8500
            11  O1a O    28.2100  -24.8500
            12  C1y C    24.6400  -24.1500
            13  C1b C    23.3800  -22.1200
            14  O1a O    25.7600  -26.2500
            15  O1a O    23.3800  -24.8500
            16  C1b C    29.4224  -22.8200
            17  C1c C    30.6349  -22.1200
            18  C1b C    31.8473  -22.8200
            19  O7a O    33.0597  -22.1200
            20  O7a O    30.6349  -20.7202
            21  C7a C    31.8661  -20.0092
            22  R   R    33.0711  -20.7048
            23  O6a O    31.8658  -18.6201
            24  C7a C    34.2573  -22.8115
            25  R   R    35.4456  -22.1255
            26  O6a O    34.2574  -24.2197
BOND        26
            1     1   4 1
            2     1   3 2
            3     1   2 2
            4     6   5 1 #Down
            5     6   7 1
            6     6   8 1
            7     7   9 1
            8     8  10 1
            9     8  11 1 #Down
            10    9  12 1
            11    9  13 1 #Up
            12   10  14 1 #Up
            13   12  15 1 #Down
            14   10  12 1
            15   13   1 1
            16    5  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   17  20 1 #Down
            21   20  21 1
            22   21  22 1
            23   21  23 2
            24   19  24 1
            25   24  25 1
            26   24  26 2
///