REMARK  Name = BDB041948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.636  -2.403   0.315  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        1.262  -1.438  -0.121  0.00  0.00    +0.235 C 
ATOM      3  C   LIG    1        0.646  -0.407  -1.086  0.00  0.00    +0.170 C 
ATOM      4  C   LIG    1        1.454   0.879  -1.313  0.00  0.00    +0.034 C 
ATOM      5  C   LIG    1        2.605   1.089  -0.332  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1        3.432  -0.189  -0.214  0.00  0.00    +0.177 C 
ATOM      7  N   LIG    1        2.567  -1.277   0.243  0.00  0.00    -0.303 N 
ATOM      8  H   LIG    1        2.941  -2.010   0.840  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   9
ATOM      9  N   LIG    1       -0.718  -0.163  -0.632  0.00  0.00    -0.222 N 
ATOM     10  C   LIG    1       -1.046   0.550   0.491  0.00  0.00    +0.257 C 
ATOM     11  O   LIG    1       -0.308   1.169   1.232  0.00  0.00    -0.269 OA
ATOM     12  C   LIG    1       -2.488   0.420   0.659  0.00  0.00    +0.085 A 
ATOM     13  C   LIG    1       -2.958  -0.389  -0.359  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1       -4.296  -0.719  -0.484  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1       -5.177  -0.197   0.469  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.702   0.629   1.507  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1       -3.344   0.938   1.601  0.00  0.00    +0.136 A 
ATOM     18  F   LIG    1       -2.909   1.726   2.591  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -1.813  -0.770  -1.182  0.00  0.00    +0.255 C 
ATOM     20  O   LIG    1       -1.889  -1.478  -2.167  0.00  0.00    -0.270 OA
ENDBRANCH   3   9
BRANCH   6  21
ATOM     21  C   LIG    1        4.671   0.035   0.673  0.00  0.00    +0.408 C 
ATOM     22  F   LIG    1        5.484   0.975   0.144  0.00  0.00    -0.169 F 
ATOM     23  F   LIG    1        4.337   0.426   1.920  0.00  0.00    -0.169 F 
ATOM     24  F   LIG    1        5.388  -1.109   0.780  0.00  0.00    -0.169 F 
ENDBRANCH   6  21
TORSDOF 2