COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.681   2.281   0.357  1.00  0.00           C  
HETATM    2  C   UNL     1       5.983   3.744   0.827  1.00  0.00           C  
HETATM    3  C   UNL     1       3.820   3.553  -0.184  1.00  0.00           C  
HETATM    4  C   UNL     1       1.429  -0.563  -0.304  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.226   0.220  -0.210  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.254   1.523  -0.710  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.611   0.283   0.074  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.415  -0.398   0.179  1.00  0.00           C  
HETATM    9  C   UNL     1       4.235  -6.052  -0.284  1.00  0.00           C  
HETATM   10  C   UNL     1       2.895  -4.018  -0.352  1.00  0.00           C  
HETATM   11  C   UNL     1       2.756  -2.554  -0.235  1.00  0.00           C  
HETATM   12  C   UNL     1       3.864  -1.760   0.064  1.00  0.00           C  
HETATM   13  C   UNL     1       2.588   0.162  -0.002  1.00  0.00           C  
HETATM   14  C   UNL     1       4.698   1.747   1.139  1.00  0.00           C  
HETATM   15  C   UNL     1       5.845   2.480   1.371  1.00  0.00           C  
HETATM   16  C   UNL     1       4.970   4.280   0.053  1.00  0.00           C  
HETATM   17  C   UNL     1       2.717   4.138  -1.028  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.942  -0.505  -0.101  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.458   2.195  -0.810  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.634   1.577  -0.417  1.00  0.00           C  
HETATM   21  C   UNL     1       1.508  -1.940  -0.424  1.00  0.00           C  
HETATM   22  F   UNL     1      -3.488   3.456  -1.293  1.00  0.00           F  
HETATM   23  N   UNL     1       4.098  -4.598  -0.169  1.00  0.00           N  
HETATM   24  N   UNL     1       3.748  -0.453   0.169  1.00  0.00           N  
HETATM   25  N   UNL     1       2.519   1.542   0.120  1.00  0.00           N  
HETATM   26  N   UNL     1       0.205   0.095  -0.478  1.00  0.00           N  
HETATM   27  O   UNL     1       1.924  -4.702  -0.612  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.921  -1.641   0.330  1.00  0.00           O  
HETATM   29 BR   UNL     1      -6.222  -0.552   0.609  1.00  0.00          Br  
HETATM   30  H   UNL     1       6.881   4.315   1.010  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.338   2.005  -1.016  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.399  -1.408   0.562  1.00  0.00           H  
HETATM   33  H   UNL     1       3.594  -6.537   0.452  1.00  0.00           H  
HETATM   34  H   UNL     1       3.941  -6.366  -1.285  1.00  0.00           H  
HETATM   35  H   UNL     1       5.273  -6.334  -0.105  1.00  0.00           H  
HETATM   36  H   UNL     1       4.828  -2.224   0.210  1.00  0.00           H  
HETATM   37  H   UNL     1       4.591   0.761   1.565  1.00  0.00           H  
HETATM   38  H   UNL     1       6.638   2.064   1.975  1.00  0.00           H  
HETATM   39  H   UNL     1       5.078   5.270  -0.367  1.00  0.00           H  
HETATM   40  H   UNL     1       2.022   4.684  -0.389  1.00  0.00           H  
HETATM   41  H   UNL     1       3.145   4.819  -1.764  1.00  0.00           H  
HETATM   42  H   UNL     1       2.187   3.336  -1.540  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.572   2.105  -0.497  1.00  0.00           H  
HETATM   44  H   UNL     1       0.632  -2.527  -0.656  1.00  0.00           H  
HETATM   45  H   UNL     1       4.872  -4.052   0.039  1.00  0.00           H  
HETATM   46  H   UNL     1       1.665   1.994   0.041  1.00  0.00           H  
HETATM   47  H   UNL     1       0.182   0.982  -0.869  1.00  0.00           H  
CONECT    1   25   14   14    3                                       
CONECT    2   15   15   16   30                                       
CONECT    3   16   16   17    1                                       
CONECT    4   13   26   21   21                                       
CONECT    5   18    6    6    8                                       
CONECT    6    5    5   19   31                                       
CONECT    7   20   29    8    8                                       
CONECT    8    7    7    5   32                                       
CONECT    9   23   33   34   35                                       
CONECT   10   23   27   27   11                                       
CONECT   11   10   12   12   21                                       
CONECT   12   11   11   24   36                                       
CONECT   13   24   24   25    4                                       
CONECT   14    1    1   15   37                                       
CONECT   15   14    2    2   38                                       
CONECT   16    2    3    3   39                                       
CONECT   17    3   40   41   42                                       
CONECT   18   26   28   28    5                                       
CONECT   19    6   22   20   20                                       
CONECT   20   19   19    7   43                                       
CONECT   21    4    4   11   44                                       
CONECT   22   19                                                      
CONECT   23    9   10   45                                            
CONECT   24   12   13   13                                            
CONECT   25    1   13   46                                            
CONECT   26   18    4   47                                            
CONECT   27   10   10                                                 
CONECT   28   18   18                                                 
CONECT   29    7                                                      
CONECT   30    2                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
