COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.999  -3.789  -0.047  1.00  0.00           C  
HETATM    2  C   UNL     1       0.345  -3.994  -0.053  1.00  0.00           C  
HETATM    3  C   UNL     1       1.257  -2.948  -0.042  1.00  0.00           C  
HETATM    4  C   UNL     1       0.840  -1.625  -0.025  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.825   1.495   0.023  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.163   1.735   0.029  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.096   0.699   0.018  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.712  -0.604   0.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.901  -2.250  -0.024  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.812  -3.311  -0.035  1.00  0.00           N1+
HETATM   11  N   UNL     1      -1.052  -0.100  -0.001  1.00  0.00           N1+
HETATM   12  C   UNL     1      -1.523  -2.482  -0.030  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.599  -1.344  -0.012  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.339  -0.923  -0.006  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.356   0.164   0.006  1.00  0.00           C  
HETATM   16 BR   UNL     1      -1.600   2.935   0.037  1.00  0.00          Br  
HETATM   17  C   UNL     1       1.821  -0.527  -0.013  1.00  0.00           C  
HETATM   18  O   UNL     1       1.445   0.626  -0.103  1.00  0.00           O  
HETATM   19  N   UNL     1       3.136  -0.800   0.096  1.00  0.00           N  
HETATM   20  C   UNL     1       4.113   0.293   0.108  1.00  0.00           C  
HETATM   21  C   UNL     1       5.523  -0.285   0.241  1.00  0.00           C  
HETATM   22  N   UNL     1       6.502   0.811   0.252  1.00  0.00           N  
HETATM   23  C   UNL     1       7.794   0.218   0.623  1.00  0.00           C  
HETATM   24  C   UNL     1       6.632   1.274  -1.136  1.00  0.00           C  
HETATM   25  H   UNL     1      -1.670  -4.636  -0.057  1.00  0.00           H  
HETATM   26  H   UNL     1       0.716  -5.008  -0.067  1.00  0.00           H  
HETATM   27  H   UNL     1       2.315  -3.168  -0.048  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.512   2.757   0.042  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.149   0.939   0.024  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.453  -1.389  -0.007  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.029  -3.578   0.914  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.657  -3.023  -0.505  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.407  -4.097  -0.521  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.419   0.635   0.007  1.00  0.00           H  
HETATM   35  H   UNL     1       3.437  -1.719   0.168  1.00  0.00           H  
HETATM   36  H   UNL     1       3.909   0.953   0.951  1.00  0.00           H  
HETATM   37  H   UNL     1       4.037   0.857  -0.822  1.00  0.00           H  
HETATM   38  H   UNL     1       5.726  -0.945  -0.602  1.00  0.00           H  
HETATM   39  H   UNL     1       5.598  -0.849   1.170  1.00  0.00           H  
HETATM   40  H   UNL     1       8.557   0.996   0.645  1.00  0.00           H  
HETATM   41  H   UNL     1       7.714  -0.240   1.608  1.00  0.00           H  
HETATM   42  H   UNL     1       8.069  -0.540  -0.110  1.00  0.00           H  
HETATM   43  H   UNL     1       5.694   1.724  -1.458  1.00  0.00           H  
HETATM   44  H   UNL     1       7.430   2.014  -1.198  1.00  0.00           H  
HETATM   45  H   UNL     1       6.871   0.428  -1.780  1.00  0.00           H  
CONECT    1    2    2   12   25                                       
CONECT    2    1    1    3   26                                       
CONECT    3    2    4    4   27                                       
CONECT    4    3    3   13   17                                       
CONECT    5    6    6   15   16                                       
CONECT    6    5    5    7   28                                       
CONECT    7    6    8    8   29                                       
CONECT    8    7    7   14   30                                       
CONECT    9   10   12   12   14                                       
CONECT   10    9   31   32   33                                       
CONECT   11   13   13   15   34                                       
CONECT   12    1    9    9   13                                       
CONECT   13    4   11   11   12                                       
CONECT   14    8    9   15   15                                       
CONECT   15    5   11   14   14                                       
CONECT   16    5                                                      
CONECT   17    4   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   35                                            
CONECT   20   19   21   36   37                                       
CONECT   21   20   22   38   39                                       
CONECT   22   21   23   24                                            
CONECT   23   22   40   41   42                                       
CONECT   24   22   43   44   45                                       
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
