REMARK  Name = BDB042771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.229  -3.261  -0.246  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -2.392  -2.385  -0.065  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.749  -0.963  -0.156  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.752  -0.012   0.032  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -2.028   1.361  -0.050  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1       -1.043   2.333   0.205  0.00  0.00    -0.342 N 
ATOM      7  H   LIG    1       -1.269   3.230  -0.225  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        0.312   1.880  -0.119  0.00  0.00    +0.116 C 
ATOM      9  C   LIG    1        0.661   0.586   0.631  0.00  0.00    +0.090 C 
ATOM     10  C   LIG    1       -3.355   1.752  -0.252  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.350   0.793  -0.443  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -5.611   1.192  -0.657  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -0.393  -0.482   0.350  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1       -0.095  -1.744   0.462  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -4.062  -0.565  -0.407  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -1.079  -2.660   0.236  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1       -0.812  -3.637   0.313  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        2.079   0.132   0.324  0.00  0.00    -0.002 A 
ATOM     19  C   LIG    1        2.466  -0.222  -0.977  0.00  0.00    +0.130 A 
ATOM     20  F   LIG    1        1.579  -0.145  -1.980  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        3.757  -0.646  -1.264  0.00  0.00    +0.077 A 
ATOM     22  C   LIG    1        4.681  -0.722  -0.233  0.00  0.00    +0.126 A 
ATOM     23  F   LIG    1        5.930  -1.128  -0.495  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        4.333  -0.382   1.070  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        3.033   0.044   1.351  0.00  0.00    +0.010 A 
ENDBRANCH   9  18
TORSDOF 1