COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.036   2.316  -0.002  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.146   3.379  -0.051  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.782   3.141  -0.058  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.305   1.826  -0.016  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.206   0.763   0.034  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.563   1.010   0.046  1.00  0.00           C  
HETATM    7  C   UNL     1       1.153   1.564  -0.030  1.00  0.00           C  
HETATM    8  O   UNL     1       3.213   1.938  -0.074  1.00  0.00           O  
HETATM    9  C   UNL     1       3.168   0.598  -0.025  1.00  0.00           C  
HETATM   10  O   UNL     1       0.090   4.181  -0.108  1.00  0.00           O  
HETATM   11  O   UNL     1      -4.374   2.553   0.006  1.00  0.00           O  
HETATM   12 BR   UNL     1      -3.783  -0.433   0.113  1.00  0.00          Br  
HETATM   13  N   UNL     1       2.120   2.450  -0.074  1.00  0.00           N  
HETATM   14  C   UNL     1       1.826   0.254   0.010  1.00  0.00           C  
HETATM   15  C   UNL     1       1.218  -1.096   0.068  1.00  0.00           C  
HETATM   16  C   UNL     1       1.415  -1.903   1.188  1.00  0.00           C  
HETATM   17  C   UNL     1       0.848  -3.159   1.239  1.00  0.00           C  
HETATM   18  C   UNL     1       0.081  -3.620   0.178  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.117  -2.819  -0.938  1.00  0.00           C  
HETATM   20  C   UNL     1       0.443  -1.560  -0.994  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.477  -4.859   0.232  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.254  -5.270  -0.895  1.00  0.00           C  
HETATM   23  N   UNL     1       4.248  -0.269  -0.012  1.00  0.00           N  
HETATM   24  C   UNL     1       5.504   0.218  -0.049  1.00  0.00           C  
HETATM   25  C   UNL     1       6.679  -0.725  -0.035  1.00  0.00           C  
HETATM   26  O   UNL     1       5.689   1.416  -0.095  1.00  0.00           O  
HETATM   27  H   UNL     1      -2.517   4.393  -0.083  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.841  -0.253   0.066  1.00  0.00           H  
HETATM   29  H   UNL     1       0.354   4.514   0.761  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.772   2.589  -0.875  1.00  0.00           H  
HETATM   31  H   UNL     1       2.012  -1.546   2.014  1.00  0.00           H  
HETATM   32  H   UNL     1       1.000  -3.785   2.106  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.714  -3.181  -1.762  1.00  0.00           H  
HETATM   34  H   UNL     1       0.285  -0.936  -1.861  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.640  -6.275  -0.723  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.086  -4.580  -1.034  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.628  -5.269  -1.788  1.00  0.00           H  
HETATM   38  H   UNL     1       4.101  -1.227   0.025  1.00  0.00           H  
HETATM   39  H   UNL     1       6.627  -1.385  -0.901  1.00  0.00           H  
HETATM   40  H   UNL     1       7.606  -0.152  -0.070  1.00  0.00           H  
HETATM   41  H   UNL     1       6.655  -1.322   0.877  1.00  0.00           H  
CONECT    1    6    6    2   11                                       
CONECT    2    3    3    1   27                                       
CONECT    3    4   10    2    2                                       
CONECT    4    7    5    5    3                                       
CONECT    5    4    4    6   28                                       
CONECT    6    5   12    1    1                                       
CONECT    7   13   13   14    4                                       
CONECT    8    9   13                                                 
CONECT    9   23    8   14   14                                       
CONECT   10    3   29                                                 
CONECT   11    1   30                                                 
CONECT   12    6                                                      
CONECT   13    8    7    7                                            
CONECT   14    9    9    7   15                                       
CONECT   15   14   20   20   16                                       
CONECT   16   15   17   17   31                                       
CONECT   17   16   16   18   32                                       
CONECT   18   19   19   17   21                                       
CONECT   19   20   18   18   33                                       
CONECT   20   15   15   19   34                                       
CONECT   21   18   22                                                 
CONECT   22   21   35   36   37                                       
CONECT   23   24    9   38                                            
CONECT   24   25   23   26   26                                       
CONECT   25   24   39   40   41                                       
CONECT   26   24   24                                                 
CONECT   27    2                                                      
CONECT   28    5                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   16                                                      
CONECT   32   17                                                      
CONECT   33   19                                                      
CONECT   34   20                                                      
CONECT   35   22                                                      
CONECT   36   22                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
