COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.071  -3.564  -0.073  1.00  0.00           N  
HETATM    2  C   UNL     1       1.335  -2.460  -0.040  1.00  0.00           C  
HETATM    3  C   UNL     1       1.668  -1.067   0.002  1.00  0.00           C  
HETATM    4  C   UNL     1       3.005  -0.655   0.023  1.00  0.00           C  
HETATM    5  C   UNL     1       4.125  -1.663   0.000  1.00  0.00           C  
HETATM    6  F   UNL     1       4.479  -1.936  -1.325  1.00  0.00           F  
HETATM    7  F   UNL     1       5.232  -1.145   0.682  1.00  0.00           F  
HETATM    8  F   UNL     1       3.703  -2.842   0.623  1.00  0.00           F  
HETATM    9  C   UNL     1       3.273   0.703   0.063  1.00  0.00           C  
HETATM   10 BR   UNL     1       5.060   1.322   0.092  1.00  0.00          Br  
HETATM   11  C   UNL     1       2.223   1.604   0.083  1.00  0.00           C  
HETATM   12  C   UNL     1       2.515   3.081   0.127  1.00  0.00           C  
HETATM   13  N   UNL     1       0.969   1.192   0.063  1.00  0.00           N  
HETATM   14  C   UNL     1       0.659  -0.092   0.018  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.643  -0.469  -0.007  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.621   0.573   0.012  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.000  -0.033  -0.020  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.133  -1.238  -0.055  1.00  0.00           O  
HETATM   19  N   UNL     1      -4.087   0.765  -0.010  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.930   2.214   0.138  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.788   2.856  -1.243  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.364   0.209  -0.142  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.251   0.243   0.926  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.511  -0.306   0.793  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.475  -0.269   1.951  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.890  -0.890  -0.402  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.008  -0.927  -1.467  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.749  -0.374  -1.342  1.00  0.00           C  
HETATM   29  H   UNL     1       2.592   3.467  -0.890  1.00  0.00           H  
HETATM   30  H   UNL     1       1.710   3.596   0.651  1.00  0.00           H  
HETATM   31  H   UNL     1       3.456   3.250   0.651  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.504   1.164   0.920  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.485   1.214  -0.860  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.806   2.624   0.641  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.039   2.424   0.730  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.671   3.934  -1.133  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.912   2.445  -1.746  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.679   2.645  -1.835  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.956   0.699   1.859  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.067   0.644   1.902  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.136  -1.134   1.901  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.918  -0.291   2.888  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.876  -1.319  -0.504  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.307  -1.384  -2.399  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.063  -0.398  -2.176  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    1    1    1    3                                       
CONECT    3    2    4    4   14                                       
CONECT    4    3    3    5    9                                       
CONECT    5    4    6    7    8                                       
CONECT    6    5                                                      
CONECT    7    5                                                      
CONECT    8    5                                                      
CONECT    9    4   10   11   11                                       
CONECT   10    9                                                      
CONECT   11    9    9   12   13                                       
CONECT   12   11   29   30   31                                       
CONECT   13   11   14   14                                            
CONECT   14    3   13   13   15                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   32   33                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   22                                            
CONECT   20   19   21   34   35                                       
CONECT   21   20   36   37   38                                       
CONECT   22   19   23   23   28                                       
CONECT   23   22   22   24   39                                       
CONECT   24   23   25   26   26                                       
CONECT   25   24   40   41   42                                       
CONECT   26   24   24   27   43                                       
CONECT   27   26   28   28   44                                       
CONECT   28   22   27   27   45                                       
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   20                                                      
CONECT   35   20                                                      
CONECT   36   21                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   23                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
