COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNK     1       3.678  -0.836   0.051  1.00  0.00           C  
HETATM    2  C   UNK     1       4.390  -3.116   0.217  1.00  0.00           C  
HETATM    3  C   UNK     1       3.374  -2.181   0.147  1.00  0.00           C  
HETATM    4  C   UNK     1      -8.457  -0.332  -0.177  1.00  0.00           C  
HETATM    5  C   UNK     1      -7.232   0.543  -0.106  1.00  0.00           C  
HETATM    6  C   UNK     1      -5.981  -0.335  -0.038  1.00  0.00           C  
HETATM    7  C   UNK     1      -4.734   0.549  -0.092  1.00  0.00           C  
HETATM    8  C   UNK     1      -3.483  -0.330  -0.025  1.00  0.00           C  
HETATM    9  C   UNK     1      -2.235   0.554  -0.079  1.00  0.00           C  
HETATM   10  C   UNK     1       0.185   0.279  -0.046  1.00  0.00           C  
HETATM   11  C   UNK     1       2.570   0.183  -0.026  1.00  0.00           C  
HETATM   12  C   UNK     1       4.998  -0.425   0.030  1.00  0.00           C  
HETATM   13  C   UNK     1       6.015  -1.361   0.100  1.00  0.00           C  
HETATM   14  C   UNK     1       5.710  -2.706   0.191  1.00  0.00           C  
HETATM   15  N   UNK     1      -7.303   1.388   1.094  1.00  0.00           N  
HETATM   16  N   UNK     1      -1.038  -0.287  -0.014  1.00  0.00           N  
HETATM   17  O   UNK     1      -9.111  -0.538   0.818  1.00  0.00           O  
HETATM   18  O   UNK     1      -8.822  -0.883  -1.345  1.00  0.00           O  
HETATM   19  O   UNK     1       0.294   1.486  -0.128  1.00  0.00           O  
HETATM   20  O   UNK     1       1.286  -0.494   0.014  1.00  0.00           O  
HETATM   21 BR   UNK     1       5.414   1.415  -0.095  1.00  0.00          Br  
HETATM   22  H   UNK     1       4.153  -4.167   0.293  1.00  0.00           H  
HETATM   23  H   UNK     1       2.343  -2.502   0.168  1.00  0.00           H  
HETATM   24  H   UNK     1      -7.185   1.175  -0.993  1.00  0.00           H  
HETATM   25  H   UNK     1      -5.985  -0.902   0.893  1.00  0.00           H  
HETATM   26  H   UNK     1      -5.975  -1.024  -0.883  1.00  0.00           H  
HETATM   27  H   UNK     1      -4.730   1.115  -1.023  1.00  0.00           H  
HETATM   28  H   UNK     1      -4.740   1.237   0.752  1.00  0.00           H  
HETATM   29  H   UNK     1      -3.487  -0.896   0.906  1.00  0.00           H  
HETATM   30  H   UNK     1      -3.477  -1.019  -0.869  1.00  0.00           H  
HETATM   31  H   UNK     1      -2.232   1.121  -1.010  1.00  0.00           H  
HETATM   32  H   UNK     1      -2.242   1.243   0.766  1.00  0.00           H  
HETATM   33  H   UNK     1       2.646   0.866   0.820  1.00  0.00           H  
HETATM   34  H   UNK     1       2.656   0.744  -0.956  1.00  0.00           H  
HETATM   35  H   UNK     1       7.046  -1.040   0.083  1.00  0.00           H  
HETATM   36  H   UNK     1       6.504  -3.437   0.245  1.00  0.00           H  
HETATM   37  H   UNK     1      -7.347   0.825   1.930  1.00  0.00           H  
HETATM   38  H   UNK     1      -6.525   2.029   1.130  1.00  0.00           H  
HETATM   39  H   UNK     1      -1.125  -1.251   0.052  1.00  0.00           H  
HETATM   40  H   UNK     1      -9.615  -1.436  -1.341  1.00  0.00           H  
CONECT    1    3   11   12   12                                       
CONECT    2    3    3   14   22                                       
CONECT    3    2    2    1   23                                       
CONECT    4   17   17    5   18                                       
CONECT    5    6    4   15   24                                       
CONECT    6    7    5   25   26                                       
CONECT    7    8    6   27   28                                       
CONECT    8    9    7   29   30                                       
CONECT    9   16    8   31   32                                       
CONECT   10   20   19   19   16                                       
CONECT   11    1   20   33   34                                       
CONECT   12    1    1   13   21                                       
CONECT   13   14   14   12   35                                       
CONECT   14    2   13   13   36                                       
CONECT   15    5   37   38                                            
CONECT   16   10    9   39                                            
CONECT   17    4    4                                                 
CONECT   18    4   40                                                 
CONECT   19   10   10                                                 
CONECT   20   11   10                                                 
CONECT   21   12                                                      
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
