REMARK  Name = BDB058909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.737   0.761   0.751  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.951   1.724   1.064  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -1.370   1.341   1.912  0.00  0.00    +0.262 C 
ATOM      4  N   LIG    1       -0.644   0.342   1.287  0.00  0.00    -0.228 N 
ATOM      5  H   LIG    1       -1.126  -0.370   0.731  0.00  0.00    +0.171 HD
ATOM      6  O   LIG    1       -0.849   2.404   2.247  0.00  0.00    -0.269 OA
BRANCH   3  10
ATOM      7  C   LIG    1       -4.849  -0.229   1.899  0.00  0.00    -0.012 A 
ATOM      8  C   LIG    1       -3.492  -0.006   1.627  0.00  0.00    +0.139 A 
ATOM      9  F   LIG    1       -2.851  -0.869   0.821  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1       -2.811   1.086   2.170  0.00  0.00    +0.073 A 
ATOM     11  C   LIG    1       -3.507   1.974   3.003  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1       -4.859   1.763   3.284  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.528   0.669   2.732  0.00  0.00    +0.006 A 
BRANCH   7  15
ATOM     14  C   LIG    1       -6.104  -1.067  -0.102  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -5.568  -1.401   1.282  0.00  0.00    +0.034 C 
ENDBRANCH   7  15
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  S   LIG    1        0.849   0.722  -0.960  0.00  0.00    +0.074 S 
ATOM     17  O   LIG    1        0.873   2.100  -1.398  0.00  0.00    -0.152 OA
ATOM     18  O   LIG    1       -0.133  -0.226  -1.445  0.00  0.00    -0.152 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.453   0.015  -1.202  0.00  0.00    +0.107 A 
ATOM     20  C   LIG    1        3.386   0.674  -2.007  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        4.656   0.112  -2.211  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1        4.980  -1.121  -1.594  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        6.251  -1.679  -1.804  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        7.187  -1.035  -2.615  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        6.868   0.177  -3.221  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.025  -1.762  -0.786  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        5.611   0.748  -3.019  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        2.765  -1.199  -0.589  0.00  0.00    +0.029 A 
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5