REMARK  Name = BDB022079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.462  -2.341  -0.337  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.108  -1.171  -0.212  0.00  0.00    +0.249 C 
ATOM      3  N   LIG    1       -1.779  -0.748  -0.242  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.733  -1.752  -0.430  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1        0.316  -1.273  -1.427  0.00  0.00    +0.029 C 
ATOM      6  C   LIG    1        0.950   0.065  -1.005  0.00  0.00    +0.048 C 
ATOM      7  C   LIG    1        0.128   0.816   0.054  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1       -1.366   0.657  -0.198  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.397  -0.069  -0.590  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1        2.882  -1.098   0.702  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        4.522  -0.637   0.462  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        4.586   0.277  -0.590  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        5.843   0.793  -0.964  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        6.994   0.387  -0.281  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.906  -0.526   0.766  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.671  -1.053   1.156  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        3.371   0.591  -1.177  0.00  0.00    -0.244 NA
ENDBRANCH   6   9
BRANCH   2  18
ATOM     18  C   LIG    1       -4.168  -0.162  -0.083  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1       -4.453   0.408   1.154  0.00  0.00    +0.135 A 
ATOM     20  F   LIG    1       -3.737   0.087   2.241  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -5.479   1.341   1.276  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1       -6.233   1.691   0.153  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -5.962   1.105  -1.086  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.931   0.170  -1.207  0.00  0.00    +0.016 A 
ENDBRANCH   2  18
TORSDOF 2