REMARK  Name = BDB050683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.370  -1.732   0.591  0.00  0.00    +0.005 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.220  -0.613   1.198  0.00  0.00    +0.035 C 
BRANCH   2   6
ATOM      3  C   LIG    1        4.654   0.239  -1.263  0.00  0.00    +0.156 A 
ATOM      4  C   LIG    1        4.736  -0.736  -0.273  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        3.625  -1.001   0.533  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.424  -0.306   0.342  0.00  0.00    -0.047 A 
ATOM      7  C   LIG    1        2.344   0.647  -0.682  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        3.454   0.913  -1.486  0.00  0.00    +0.049 A 
BRANCH   3   9
ATOM      9  O   LIG    1        5.696   0.535  -2.100  0.00  0.00    -0.346 OA
BRANCH   9  11
ATOM     10  C   LIG    1        6.635   2.515  -0.691  0.00  0.00    +0.242 C 
ATOM     11  S   LIG    1        7.147   1.025  -1.523  0.00  0.00    +0.118 S 
ATOM     12  O   LIG    1        7.966   1.419  -2.653  0.00  0.00    -0.137 OA
ATOM     13  O   LIG    1        7.648   0.089  -0.536  0.00  0.00    -0.137 OA
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -0.821  -2.132   1.466  0.00  0.00    +0.001 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.836  -1.021   1.768  0.00  0.00    +0.008 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.429  -0.295   0.545  0.00  0.00    +0.041 C 
ATOM     17  C   LIG    1       -3.306   0.867   1.020  0.00  0.00    +0.169 C 
ATOM     18  O   LIG    1       -4.250   1.210   0.004  0.00  0.00    -0.340 OA
ATOM     19  C   LIG    1       -5.195   0.133  -0.189  0.00  0.00    +0.267 C 
ATOM     20  C   LIG    1       -5.744   0.252  -1.612  0.00  0.00    +0.087 C 
ATOM     21  O   LIG    1       -4.621  -1.157  -0.007  0.00  0.00    -0.340 OA
ATOM     22  C   LIG    1       -3.248  -1.200  -0.378  0.00  0.00    +0.169 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -6.401   0.387   0.774  0.00  0.00    +0.365 C 
ATOM     24  O   LIG    1       -7.193  -0.452   1.177  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -6.495   1.703   1.127  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1       -5.734   2.191   0.738  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 9