COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1      -7.857   1.771  -0.625  1.00  0.00           C  
HETATM    2  N   UNK     1      -7.722  -0.187   0.807  1.00  0.00           N  
HETATM    3  O   UNK     1      -7.555   3.051  -0.893  1.00  0.00           O  
HETATM    4 BR   UNK     1       3.445   2.992   0.892  1.00  0.00          Br  
HETATM    5  N   UNK     1       6.000  -0.481  -1.522  1.00  0.00           N  
HETATM    6  C   UNK     1       5.330  -1.593  -1.767  1.00  0.00           C  
HETATM    7  N   UNK     1       4.080  -1.766  -1.399  1.00  0.00           N  
HETATM    8  C   UNK     1       3.423  -0.807  -0.749  1.00  0.00           C  
HETATM    9  C   UNK     1       4.096   0.396  -0.466  1.00  0.00           C  
HETATM   10  C   UNK     1       5.430   0.534  -0.879  1.00  0.00           C  
HETATM   11  N   UNK     1       6.134   1.697  -0.625  1.00  0.00           N  
HETATM   12  C   UNK     1       3.138   1.243   0.242  1.00  0.00           C  
HETATM   13  C   UNK     1       1.997   0.541   0.341  1.00  0.00           C  
HETATM   14  N   UNK     1       2.156  -0.688  -0.248  1.00  0.00           N  
HETATM   15  C   UNK     1      -6.970   0.963   0.287  1.00  0.00           C  
HETATM   16  C   UNK     1      -5.753   0.466  -0.495  1.00  0.00           C  
HETATM   17  S   UNK     1      -3.348  -0.838  -0.469  1.00  0.00           S  
HETATM   18  C   UNK     1      -4.792  -0.248   0.458  1.00  0.00           C  
HETATM   19  C   UNK     1       1.120  -1.721  -0.330  1.00  0.00           C  
HETATM   20  C   UNK     1       1.216  -2.676   0.881  1.00  0.00           C  
HETATM   21  O   UNK     1       1.921  -3.867   0.524  1.00  0.00           O  
HETATM   22  C   UNK     1      -0.255  -3.000   1.222  1.00  0.00           C  
HETATM   23  O   UNK     1      -0.504  -4.400   1.086  1.00  0.00           O  
HETATM   24  C   UNK     1      -1.067  -2.202   0.177  1.00  0.00           C  
HETATM   25  O   UNK     1      -0.192  -1.126  -0.226  1.00  0.00           O  
HETATM   26  C   UNK     1      -2.343  -1.642   0.809  1.00  0.00           C  
HETATM   27  O   UNK     1      -8.842   1.269  -1.111  1.00  0.00           O  
HETATM   28  H   UNK     1      -8.494   0.115   1.381  1.00  0.00           H  
HETATM   29  H   UNK     1      -8.040  -0.781   0.055  1.00  0.00           H  
HETATM   30  H   UNK     1      -8.155   3.531  -1.480  1.00  0.00           H  
HETATM   31  H   UNK     1       5.831  -2.394  -2.292  1.00  0.00           H  
HETATM   32  H   UNK     1       7.056   1.780  -0.916  1.00  0.00           H  
HETATM   33  H   UNK     1       5.707   2.430  -0.155  1.00  0.00           H  
HETATM   34  H   UNK     1       1.091   0.891   0.815  1.00  0.00           H  
HETATM   35  H   UNK     1      -6.639   1.586   1.117  1.00  0.00           H  
HETATM   36  H   UNK     1      -6.077  -0.228  -1.271  1.00  0.00           H  
HETATM   37  H   UNK     1      -5.245   1.314  -0.955  1.00  0.00           H  
HETATM   38  H   UNK     1      -4.467   0.445   1.234  1.00  0.00           H  
HETATM   39  H   UNK     1      -5.299  -1.096   0.918  1.00  0.00           H  
HETATM   40  H   UNK     1       1.212  -2.277  -1.263  1.00  0.00           H  
HETATM   41  H   UNK     1       1.703  -2.180   1.720  1.00  0.00           H  
HETATM   42  H   UNK     1       2.011  -4.502   1.247  1.00  0.00           H  
HETATM   43  H   UNK     1      -0.496  -2.664   2.230  1.00  0.00           H  
HETATM   44  H   UNK     1       0.025  -4.953   1.677  1.00  0.00           H  
HETATM   45  H   UNK     1      -1.313  -2.834  -0.676  1.00  0.00           H  
HETATM   46  H   UNK     1      -2.080  -0.914   1.576  1.00  0.00           H  
HETATM   47  H   UNK     1      -2.912  -2.455   1.260  1.00  0.00           H  
CONECT    1   15   27   27    3                                       
CONECT    2   15   28   29                                            
CONECT    3    1   30                                                 
CONECT    4   12                                                      
CONECT    5   10   10    6                                            
CONECT    6    5    7    7   31                                       
CONECT    7    6    6    8                                            
CONECT    8    7    9    9   14                                       
CONECT    9    8    8   10   12                                       
CONECT   10    5    5    9   11                                       
CONECT   11   10   32   33                                            
CONECT   12    4    9   13   13                                       
CONECT   13   12   12   14   34                                       
CONECT   14    8   13   19                                            
CONECT   15    1    2   16   35                                       
CONECT   16   15   18   36   37                                       
CONECT   17   26   18                                                 
CONECT   18   16   17   38   39                                       
CONECT   19   14   20   25   40                                       
CONECT   20   19   21   22   41                                       
CONECT   21   20   42                                                 
CONECT   22   20   23   24   43                                       
CONECT   23   22   44                                                 
CONECT   24   22   25   26   45                                       
CONECT   25   19   24                                                 
CONECT   26   17   24   46   47                                       
CONECT   27    1    1                                                 
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
