COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.010   0.577  -0.099  1.00  0.00           C  
HETATM    2  C   UNL     1       5.313   1.028  -0.006  1.00  0.00           C  
HETATM    3 BR   UNL     1       6.726  -0.014  -0.708  1.00  0.00          Br  
HETATM    4  C   UNL     1       5.584   2.243   0.598  1.00  0.00           C  
HETATM    5  C   UNL     1       4.554   3.008   1.112  1.00  0.00           C  
HETATM    6  C   UNL     1       3.250   2.563   1.023  1.00  0.00           C  
HETATM    7  C   UNL     1       2.973   1.344   0.417  1.00  0.00           C  
HETATM    8  N   UNL     1       1.654   0.891   0.325  1.00  0.00           N  
HETATM    9  C   UNL     1       1.384  -0.462   0.380  1.00  0.00           C  
HETATM   10  C   UNL     1       0.069  -0.950   0.177  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.006  -0.096  -0.087  1.00  0.00           C  
HETATM   12  N   UNL     1       2.348  -1.340   0.621  1.00  0.00           N  
HETATM   13  C   UNL     1       2.101  -2.639   0.677  1.00  0.00           C  
HETATM   14  N   UNL     1       0.905  -3.147   0.501  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.144  -2.349   0.247  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.433  -2.861   0.049  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.467  -2.013  -0.207  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.264  -0.632  -0.276  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.346   0.215  -0.541  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.564  -0.070  -0.040  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.742  -1.107   0.571  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.677   0.871  -0.231  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.879   0.590   0.264  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.020   1.555   0.068  1.00  0.00           C  
HETATM   25  N   UNL     1      -9.148   0.857  -0.563  1.00  0.00           N  
HETATM   26  C   UNL     1      -9.705  -0.163   0.335  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.185   1.808  -0.986  1.00  0.00           C  
HETATM   28  H   UNL     1       3.798  -0.369  -0.575  1.00  0.00           H  
HETATM   29  H   UNL     1       6.603   2.593   0.670  1.00  0.00           H  
HETATM   30  H   UNL     1       4.769   3.956   1.584  1.00  0.00           H  
HETATM   31  H   UNL     1       2.445   3.161   1.425  1.00  0.00           H  
HETATM   32  H   UNL     1       0.929   1.526   0.222  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.854   0.971  -0.142  1.00  0.00           H  
HETATM   34  H   UNL     1       2.922  -3.312   0.876  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.606  -3.926   0.101  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.459  -2.414  -0.359  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.219   1.008  -1.086  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.518   1.792  -0.774  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.037  -0.330   0.806  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.331   1.950   1.034  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.695   2.375  -0.573  1.00  0.00           H  
HETATM   42  H   UNL     1     -10.055   0.311   1.251  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.538  -0.664  -0.157  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.933  -0.894   0.577  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.553   2.354  -0.117  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.763   2.511  -1.704  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.009   1.265  -1.450  1.00  0.00           H  
CONECT    1    7    7    2   28                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2                                                      
CONECT    4    2    2    5   29                                       
CONECT    5    6    6    4   30                                       
CONECT    6    7    5    5   31                                       
CONECT    7    8    1    1    6                                       
CONECT    8    9    7   32                                            
CONECT    9   10    8   12   12                                       
CONECT   10   11   11   15    9                                       
CONECT   11   18   10   10   33                                       
CONECT   12    9    9   13                                            
CONECT   13   14   14   12   34                                       
CONECT   14   15   13   13                                            
CONECT   15   16   16   10   14                                       
CONECT   16   17   15   15   35                                       
CONECT   17   18   18   16   36                                       
CONECT   18   19   17   17   11                                       
CONECT   19   20   18   37                                            
CONECT   20   22   19   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   23   23   20   38                                       
CONECT   23   24   22   22   39                                       
CONECT   24   25   23   40   41                                       
CONECT   25   27   26   24                                            
CONECT   26   25   42   43   44                                       
CONECT   27   25   45   46   47                                       
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   19                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   26                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
