REMARK  Name = BDB019811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.767   0.104   0.723  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.277  -0.446   0.000  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.300  -0.360  -1.019  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.659   0.348   1.923  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.312   1.209   0.078  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        3.107   0.929   0.723  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        2.029   0.403  -0.003  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1        2.181   0.186  -1.375  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1        1.174  -0.308  -2.111  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        3.378   0.487  -2.024  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        4.447   1.008  -1.298  0.00  0.00    +0.049 A 
BRANCH   5  12
ATOM     12  O   LIG    1        5.324   1.761   0.824  0.00  0.00    -0.464 OA
BRANCH  12  14
ATOM     13  C   LIG    1        6.781  -0.196   0.762  0.00  0.00    +0.049 C 
ATOM     14  C   LIG    1        6.538   1.115   0.880  0.00  0.00    +0.188 C 
ENDBRANCH  12  14
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  15
ATOM     15  N   LIG    1       -1.654  -0.399   0.686  0.00  0.00    -0.108 NA
ATOM     16  H   LIG    1       -1.537  -0.112   1.672  0.00  0.00    +0.172 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -2.752   0.688  -0.056  0.00  0.00    +0.074 S 
ATOM     18  O   LIG    1       -2.344   0.841  -1.439  0.00  0.00    -0.152 OA
ATOM     19  O   LIG    1       -2.890   1.822   0.830  0.00  0.00    -0.152 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -4.249  -0.258  -0.015  0.00  0.00    +0.107 A 
ATOM     21  C   LIG    1       -4.466  -1.238  -0.989  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -5.653  -1.970  -0.972  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -6.616  -1.718   0.007  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.398  -0.731   0.970  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -5.214   0.006   0.961  0.00  0.00    +0.028 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 6