REMARK  Name = BDB058849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.491   1.121  -0.586  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.626   1.897  -1.255  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1        2.843   2.184  -1.448  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        2.958   1.246  -0.663  0.00  0.00    +0.259 C 
ATOM      5  N   LIG    1        1.865   0.687  -0.020  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1        1.902  -0.299   0.246  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1        4.283   0.627  -0.393  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1        4.533  -0.117   0.765  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        5.796  -0.666   0.960  0.00  0.00    +0.124 A 
ATOM     10  F   LIG    1        6.035  -1.378   2.070  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        6.816  -0.486   0.032  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        6.575   0.264  -1.117  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        5.312   0.824  -1.327  0.00  0.00    +0.013 A 
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  S   LIG    1       -0.334  -0.143  -1.396  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1       -0.284   0.153  -2.810  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1        0.170  -1.392  -0.856  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -1.989   0.097  -0.815  0.00  0.00    +0.107 A 
ATOM     18  C   LIG    1       -2.357  -0.420   0.431  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -3.670  -0.257   0.900  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -4.615   0.426   0.097  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -5.927   0.587   0.569  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -6.303   0.082   1.815  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.374  -0.590   2.604  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.225   0.926  -1.157  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -4.066  -0.760   2.149  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -2.917   0.760  -1.617  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4