REMARK  Name = BDB053361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.368  -0.072  -0.465  0.00  0.00    -0.246 N 
ATOM      2  C   LIG    1        1.337  -0.007   0.548  0.00  0.00    +0.270 A 
ATOM      3  O   LIG    1        1.214   0.192   1.748  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1        2.689  -0.222  -0.006  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1        2.680  -0.436  -1.379  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        3.863  -0.656  -2.066  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        5.053  -0.656  -1.342  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1        5.070  -0.442   0.041  0.00  0.00    +0.039 A 
ATOM      9  F   LIG    1        6.209  -0.867  -1.984  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        3.873  -0.221   0.724  0.00  0.00    +0.017 A 
ATOM     11  S   LIG    1        1.048  -0.382  -2.033  0.00  0.00    -0.003 S 
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -5.333   0.600   0.265  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -3.859   0.399   0.078  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1       -3.326   0.164  -1.188  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -1.944   0.008  -1.363  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1       -1.045   0.090  -0.283  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1       -1.602   0.342   0.980  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -2.985   0.499   1.159  0.00  0.00    +0.005 A 
ENDBRANCH   1  16
TORSDOF 1