COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.304   5.129  -0.192  1.00  0.00           C  
HETATM    2  C   UNL     1       2.807   3.844  -0.295  1.00  0.00           C  
HETATM    3  C   UNL     1       1.949   2.773  -0.439  1.00  0.00           C  
HETATM    4  C   UNL     1       0.938   5.349  -0.227  1.00  0.00           C  
HETATM    5  C   UNL     1       0.069   4.287  -0.364  1.00  0.00           C  
HETATM    6  C   UNL     1       0.570   2.989  -0.480  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.355   1.846  -0.628  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.162   1.832  -1.535  1.00  0.00           O  
HETATM    9  O   UNL     1      -0.303   0.821   0.244  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.182  -0.198   0.052  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.434  -0.159   0.651  1.00  0.00           C  
HETATM   12 BR   UNL     1      -2.918   1.311   1.737  1.00  0.00          Br  
HETATM   13  C   UNL     1      -3.326  -1.196   0.453  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.971  -2.272  -0.341  1.00  0.00           C  
HETATM   15 BR   UNL     1      -4.194  -3.689  -0.610  1.00  0.00          Br  
HETATM   16  C   UNL     1      -1.725  -2.312  -0.939  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.832  -1.275  -0.749  1.00  0.00           C  
HETATM   18  C   UNL     1       0.524  -1.317  -1.406  1.00  0.00           C  
HETATM   19  N   UNL     1       1.524  -1.762  -0.433  1.00  0.00           N  
HETATM   20  C   UNL     1       2.816  -1.876  -0.799  1.00  0.00           C  
HETATM   21  O   UNL     1       3.151  -1.609  -1.937  1.00  0.00           O  
HETATM   22  C   UNL     1       3.826  -2.325   0.182  1.00  0.00           C  
HETATM   23  C   UNL     1       4.982  -1.571   0.394  1.00  0.00           C  
HETATM   24  N   UNL     1       5.200  -0.319  -0.364  1.00  0.00           N1+
HETATM   25  O   UNL     1       4.316   0.123  -1.077  1.00  0.00           O  
HETATM   26  O   UNL     1       6.262   0.270  -0.275  1.00  0.00           O1-
HETATM   27  C   UNL     1       3.626  -3.502   0.906  1.00  0.00           C  
HETATM   28  C   UNL     1       4.572  -3.915   1.821  1.00  0.00           C  
HETATM   29  C   UNL     1       5.718  -3.166   2.021  1.00  0.00           C  
HETATM   30  C   UNL     1       5.920  -1.996   1.312  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.392   4.524  -0.401  1.00  0.00           N1+
HETATM   32  O   UNL     1      -2.162   3.581  -0.403  1.00  0.00           O1-
HETATM   33  O   UNL     1      -1.823   5.663  -0.430  1.00  0.00           O  
HETATM   34  H   UNL     1       2.980   5.963  -0.080  1.00  0.00           H  
HETATM   35  H   UNL     1       3.874   3.679  -0.263  1.00  0.00           H  
HETATM   36  H   UNL     1       2.343   1.771  -0.519  1.00  0.00           H  
HETATM   37  H   UNL     1       0.552   6.354  -0.146  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.299  -1.166   0.919  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.451  -3.153  -1.559  1.00  0.00           H  
HETATM   40  H   UNL     1       0.499  -2.012  -2.246  1.00  0.00           H  
HETATM   41  H   UNL     1       0.784  -0.322  -1.766  1.00  0.00           H  
HETATM   42  H   UNL     1       1.257  -1.975   0.475  1.00  0.00           H  
HETATM   43  H   UNL     1       2.731  -4.087   0.751  1.00  0.00           H  
HETATM   44  H   UNL     1       4.418  -4.825   2.381  1.00  0.00           H  
HETATM   45  H   UNL     1       6.456  -3.494   2.739  1.00  0.00           H  
HETATM   46  H   UNL     1       6.815  -1.414   1.476  1.00  0.00           H  
CONECT    1    4    2    2   34                                       
CONECT    2    1    1    3   35                                       
CONECT    3    6    6    2   36                                       
CONECT    4    5    5    1   37                                       
CONECT    5   31    4    4    6                                       
CONECT    6    5    7    3    3                                       
CONECT    7    8    8    6    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10                                                 
CONECT   10   11    9   17   17                                       
CONECT   11   12   13   13   10                                       
CONECT   12   11                                                      
CONECT   13   11   11   14   38                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14                                                      
CONECT   16   14   14   17   39                                       
CONECT   17   10   10   16   18                                       
CONECT   18   17   19   40   41                                       
CONECT   19   18   20   42                                            
CONECT   20   21   21   19   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   23   27                                       
CONECT   23   24   22   22   30                                       
CONECT   24   25   25   26   23                                       
CONECT   25   24   24                                                 
CONECT   26   24                                                      
CONECT   27   22   28   28   43                                       
CONECT   28   27   27   29   44                                       
CONECT   29   30   30   28   45                                       
CONECT   30   23   29   29   46                                       
CONECT   31   32   33   33    5                                       
CONECT   32   31                                                      
CONECT   33   31   31                                                 
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
CONECT   45   29                                                      
CONECT   46   30                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
