REMARK  Name = BDB042454
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.834   1.242  -1.430  0.00  0.00    +0.062 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -6.215  -1.737  -0.882  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -6.103  -0.792   0.285  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -5.037   0.128   0.413  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1       -4.997   0.987   1.531  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -3.879   1.954   1.661  0.00  0.00    +0.259 A 
ATOM      7  N   LIG    1       -2.938   1.938   0.654  0.00  0.00    -0.326 N 
ATOM      8  H   LIG    1       -2.201   2.627   0.758  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -2.958   1.102  -0.434  0.00  0.00    +0.020 A 
ATOM     10  O   LIG    1       -3.767   2.733   2.599  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -5.996   0.927   2.501  0.00  0.00    +0.136 A 
ATOM     12  F   LIG    1       -5.985   1.727   3.575  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -7.045   0.023   2.377  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -3.959   0.222  -0.586  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -7.099  -0.831   1.277  0.00  0.00    +0.007 A 
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1       -0.518   0.686  -0.881  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.605   0.799  -1.897  0.00  0.00    +0.216 C 
ATOM     18  N   LIG    1        1.878   0.464  -1.457  0.00  0.00    -0.298 N 
ATOM     19  C   LIG    1        2.200  -0.006  -0.104  0.00  0.00    +0.126 C 
ATOM     20  C   LIG    1        3.511  -0.802  -0.038  0.00  0.00    +0.126 C 
ATOM     21  N   LIG    1        4.641  -0.092  -0.641  0.00  0.00    -0.298 N 
ATOM     22  C   LIG    1        5.972  -0.341  -0.342  0.00  0.00    +0.219 C 
ATOM     23  O   LIG    1        6.905   0.268  -0.854  0.00  0.00    -0.275 OA
ATOM     24  C   LIG    1        4.329   0.910  -1.663  0.00  0.00    +0.126 C 
ATOM     25  C   LIG    1        3.006   0.626  -2.383  0.00  0.00    +0.126 C 
ATOM     26  O   LIG    1        0.390   1.163  -3.053  0.00  0.00    -0.276 OA
BRANCH  22  27
ATOM     27  C   LIG    1        6.253  -1.419   0.648  0.00  0.00    +0.075 C 
ATOM     28  C   LIG    1        6.257  -1.105   2.128  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1        7.547  -1.415   1.433  0.00  0.00    +0.013 C 
ENDBRANCH  22  27
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 4