REMARK  Name = BDB040640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.898  -0.033   0.669  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.941   0.482  -0.162  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        2.060   1.282  -1.070  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.674  -0.134   0.227  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.939  -1.026   1.244  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1       -0.054  -1.785   1.816  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -1.352  -1.609   1.324  0.00  0.00    +0.145 A 
ATOM      8  C   LIG    1       -1.670  -0.688   0.283  0.00  0.00    +0.067 A 
ATOM      9  F   LIG    1       -2.311  -2.347   1.903  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1       -0.602   0.049  -0.274  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        2.373  -0.976   1.511  0.00  0.00    +0.255 C 
ATOM     12  O   LIG    1        2.939  -1.661   2.341  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     13  O   LIG    1        7.815   1.262  -1.404  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        6.775   0.964  -0.824  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1        6.069  -0.162  -1.169  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        6.425  -0.681  -1.960  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        4.856  -0.584  -0.670  0.00  0.00    +0.240 C 
ATOM     18  O   LIG    1        4.291  -1.563  -1.153  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1        4.329   0.195   0.539  0.00  0.00    +0.171 C 
ATOM     20  C   LIG    1        4.724   1.666   0.430  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1        6.239   1.771   0.337  0.00  0.00    +0.098 C 
ENDBRANCH   1  19
BRANCH   8  22
ATOM     22  N   LIG    1       -2.941  -0.504  -0.261  0.00  0.00    -0.319 N 
ATOM     23  C   LIG    1       -3.494   0.877  -0.239  0.00  0.00    +0.088 C 
ATOM     24  C   LIG    1       -4.456   1.009  -1.462  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1       -5.582   0.049  -1.451  0.00  0.00    -0.312 NA
ATOM     26  H   LIG    1       -6.006   0.011  -2.377  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -5.107  -1.303  -1.073  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -4.274   0.912   1.088  0.00  0.00    +0.025 C 
ATOM     29  C   LIG    1       -4.704  -0.543   1.327  0.00  0.00    +0.025 C 
ATOM     30  C   LIG    1       -4.113  -1.320   0.137  0.00  0.00    +0.088 C 
ENDBRANCH   8  22
TORSDOF 2