REMARK  Name = BDB033504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.877   0.089   1.262  0.00  0.00    +0.080 A 
ATOM      2  C   LIG    1       -2.025   0.843   0.408  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -1.311  -0.069  -0.383  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -0.369   0.347  -1.339  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.187   1.725  -1.518  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -0.873   2.652  -0.738  0.00  0.00    +0.041 A 
ATOM      7  N   LIG    1       -1.725  -1.329   0.001  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -1.316  -2.192  -0.349  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -1.785   2.218   0.221  0.00  0.00    +0.134 A 
ATOM     10  F   LIG    1       -2.439   3.128   0.955  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -2.668  -1.245   0.990  0.00  0.00    +0.102 A 
ENDROOT
BRANCH   1  13
ATOM     12  N   LIG    1       -4.534   0.981   3.043  0.00  0.00    -0.191 NA
ATOM     13  C   LIG    1       -3.788   0.593   2.243  0.00  0.00    +0.101 C 
ENDBRANCH   1  13
BRANCH   4  14
ATOM     14  N   LIG    1        0.298  -0.515  -2.257  0.00  0.00    -0.214 N 
ATOM     15  H   LIG    1       -0.308  -0.872  -2.998  0.00  0.00    +0.174 HD
BRANCH  14  16
ATOM     16  S   LIG    1        1.285  -1.757  -1.681  0.00  0.00    +0.080 S 
ATOM     17  O   LIG    1        0.487  -2.627  -0.841  0.00  0.00    -0.149 OA
ATOM     18  O   LIG    1        1.970  -2.290  -2.839  0.00  0.00    -0.149 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.554  -1.064  -0.682  0.00  0.00    +0.165 A 
ATOM     20  S   LIG    1        2.208  -0.730   0.963  0.00  0.00    -0.055 S 
ATOM     21  C   LIG    1        3.802  -0.130   1.159  0.00  0.00    +0.157 A 
ATOM     22  N   LIG    1        4.568  -0.158   0.091  0.00  0.00    -0.254 NA
ATOM     23  C   LIG    1        3.854  -0.700  -0.962  0.00  0.00    +0.147 A 
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   4  14
TORSDOF 4