COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.259  -1.964   0.662  1.00  0.00           C  
HETATM    2  C   UNL     1       2.972  -2.429   0.477  1.00  0.00           C  
HETATM    3  C   UNL     1       1.903  -1.541   0.507  1.00  0.00           C  
HETATM    4  C   UNL     1       2.134  -0.188   0.722  1.00  0.00           C  
HETATM    5  C   UNL     1       3.423   0.270   0.905  1.00  0.00           C  
HETATM    6  C   UNL     1       4.485  -0.616   0.876  1.00  0.00           C  
HETATM    7  C   UNL     1       5.891  -0.112   1.077  1.00  0.00           C  
HETATM    8  N   UNL     1       6.472   0.248  -0.224  1.00  0.00           N  
HETATM    9  C   UNL     1       7.921   0.518  -0.099  1.00  0.00           C  
HETATM   10  C   UNL     1       8.260   1.632  -1.107  1.00  0.00           C  
HETATM   11  C   UNL     1       6.916   1.991  -1.781  1.00  0.00           C  
HETATM   12  C   UNL     1       5.870   1.500  -0.748  1.00  0.00           C  
HETATM   13  N   UNL     1       0.600  -2.009   0.320  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.445  -1.139   0.349  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.717  -1.581   0.060  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.844  -0.632  -0.057  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.670   0.735   0.117  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.755   1.582  -0.003  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.014   1.076  -0.296  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.206  -0.277  -0.472  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.123  -1.149  -0.355  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.284  -2.597  -0.535  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.383  -3.049  -0.793  1.00  0.00           O  
HETATM   24  N   UNL     1      -3.237  -3.431  -0.422  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.993  -3.007  -0.147  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.086  -3.815  -0.062  1.00  0.00           O  
HETATM   27 BR   UNL     1      -3.524   3.444   0.233  1.00  0.00          Br  
HETATM   28  H   UNL     1       5.090  -2.653   0.643  1.00  0.00           H  
HETATM   29  H   UNL     1       2.796  -3.481   0.310  1.00  0.00           H  
HETATM   30  H   UNL     1       1.305   0.504   0.745  1.00  0.00           H  
HETATM   31  H   UNL     1       3.603   1.322   1.072  1.00  0.00           H  
HETATM   32  H   UNL     1       5.873   0.766   1.722  1.00  0.00           H  
HETATM   33  H   UNL     1       6.493  -0.892   1.541  1.00  0.00           H  
HETATM   34  H   UNL     1       8.151   0.851   0.913  1.00  0.00           H  
HETATM   35  H   UNL     1       8.489  -0.382  -0.335  1.00  0.00           H  
HETATM   36  H   UNL     1       8.668   2.500  -0.589  1.00  0.00           H  
HETATM   37  H   UNL     1       8.970   1.266  -1.850  1.00  0.00           H  
HETATM   38  H   UNL     1       6.834   3.068  -1.929  1.00  0.00           H  
HETATM   39  H   UNL     1       6.804   1.460  -2.726  1.00  0.00           H  
HETATM   40  H   UNL     1       4.917   1.293  -1.235  1.00  0.00           H  
HETATM   41  H   UNL     1       5.745   2.230   0.050  1.00  0.00           H  
HETATM   42  H   UNL     1       0.440  -2.954   0.169  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.277  -0.102   0.598  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.692   1.134   0.345  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.853   1.750  -0.387  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.189  -0.661  -0.699  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.386  -4.381  -0.548  1.00  0.00           H  
CONECT    1    2    2    6   28                                       
CONECT    2    1    1    3   29                                       
CONECT    3    2    4    4   13                                       
CONECT    4    3    3    5   30                                       
CONECT    5    4    6    6   31                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8   32   33                                       
CONECT    8    7    9   12                                            
CONECT    9    8   10   34   35                                       
CONECT   10    9   11   36   37                                       
CONECT   11   10   12   38   39                                       
CONECT   12    8   11   40   41                                       
CONECT   13    3   14   42                                            
CONECT   14   13   15   15   43                                       
CONECT   15   14   14   16   25                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   44                                       
CONECT   18   17   19   19   27                                       
CONECT   19   18   18   20   45                                       
CONECT   20   19   21   21   46                                       
CONECT   21   16   20   20   22                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   47                                            
CONECT   25   15   24   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   18                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   24                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
