REMARK  Name = BDB008418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.638   0.166  -1.620  0.00  0.00    +0.011 C 
ATOM      2  C   LIG    1       -2.530   0.069  -0.084  0.00  0.00    -0.024 C 
ATOM      3  C   LIG    1       -1.802  -1.247   0.327  0.00  0.00    +0.060 C 
ATOM      4  C   LIG    1       -0.335  -1.102   0.121  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.363   0.083   0.038  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -0.289   1.353   0.153  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1        0.288   2.507   0.052  0.00  0.00    -0.175 NA
ATOM      8  N   LIG    1        1.601   2.768  -0.190  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        1.793   3.766  -0.228  0.00  0.00    +0.192 HD
ATOM     10  C   LIG    1        2.760   2.041  -0.369  0.00  0.00    +0.273 A 
ATOM     11  C   LIG    1        2.841   0.572  -0.367  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1        4.079  -0.065  -0.566  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        4.163  -1.452  -0.580  0.00  0.00    +0.126 A 
ATOM     14  C   LIG    1        3.043  -2.263  -0.406  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        1.819  -1.616  -0.209  0.00  0.00    +0.051 A 
ATOM     16  F   LIG    1        5.356  -2.031  -0.772  0.00  0.00    -0.205 F 
ATOM     17  O   LIG    1        3.808   2.671  -0.547  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1        1.709  -0.222  -0.184  0.00  0.00    +0.021 A 
ATOM     19  N   LIG    1        0.554  -2.132  -0.018  0.00  0.00    -0.357 N 
ATOM     20  H   LIG    1        0.328  -3.118   0.004  0.00  0.00    +0.166 HD
ATOM     21  C   LIG    1       -1.788   1.320   0.473  0.00  0.00    +0.064 C 
ATOM     22  C   LIG    1       -3.958   0.043   0.492  0.00  0.00    +0.011 C 
ENDROOT
TORSDOF 0