COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.388  -0.811  -0.177  1.00  0.00           C  
HETATM    2  C   UNL     1       1.280  -0.175   0.665  1.00  0.00           C  
HETATM    3  C   UNL     1       1.268   1.304   0.378  1.00  0.00           C  
HETATM    4  C   UNL     1       1.483   2.209   1.401  1.00  0.00           C  
HETATM    5  C   UNL     1       1.471   3.566   1.138  1.00  0.00           C  
HETATM    6  C   UNL     1       1.246   4.018  -0.149  1.00  0.00           C  
HETATM    7  C   UNL     1       1.032   3.114  -1.172  1.00  0.00           C  
HETATM    8  C   UNL     1       1.047   1.756  -0.909  1.00  0.00           C  
HETATM    9  C   UNL     1       1.227  -3.704  -1.037  1.00  0.00           C  
HETATM   10  C   UNL     1       1.875  -2.851   1.188  1.00  0.00           C  
HETATM   11  C   UNL     1       3.462   0.211  -0.449  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.057  -0.796   0.356  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.196  -2.158   0.127  1.00  0.00           C  
HETATM   14  N   UNL     1       0.828  -3.080   0.208  1.00  0.00           N  
HETATM   15  O   UNL     1       4.107   0.668   0.465  1.00  0.00           O  
HETATM   16  O   UNL     1       3.701   0.614  -1.707  1.00  0.00           O  
HETATM   17  C   UNL     1       2.984  -1.989   0.585  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.562  -1.863  -0.261  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.454  -2.678  -0.199  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.186   0.006   0.326  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.431  -0.518   0.007  1.00  0.00           C  
HETATM   22 BR   UNL     1      -3.933   0.631  -0.053  1.00  0.00          Br  
HETATM   23  H   UNL     1       1.965  -1.149  -1.127  1.00  0.00           H  
HETATM   24  H   UNL     1       1.510  -0.318   1.722  1.00  0.00           H  
HETATM   25  H   UNL     1       1.659   1.855   2.406  1.00  0.00           H  
HETATM   26  H   UNL     1       1.639   4.272   1.937  1.00  0.00           H  
HETATM   27  H   UNL     1       1.236   5.078  -0.354  1.00  0.00           H  
HETATM   28  H   UNL     1       0.855   3.467  -2.177  1.00  0.00           H  
HETATM   29  H   UNL     1       0.883   1.050  -1.709  1.00  0.00           H  
HETATM   30  H   UNL     1       1.658  -4.683  -0.831  1.00  0.00           H  
HETATM   31  H   UNL     1       0.355  -3.819  -1.681  1.00  0.00           H  
HETATM   32  H   UNL     1       1.967  -3.078  -1.536  1.00  0.00           H  
HETATM   33  H   UNL     1       1.466  -2.353   2.073  1.00  0.00           H  
HETATM   34  H   UNL     1       2.295  -3.812   1.515  1.00  0.00           H  
HETATM   35  H   UNL     1       4.399   1.271  -1.832  1.00  0.00           H  
HETATM   36  H   UNL     1       3.599  -2.589  -0.088  1.00  0.00           H  
HETATM   37  H   UNL     1       3.624  -1.614   1.392  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.521  -2.287  -0.518  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.559  -3.736  -0.400  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.161   1.058   0.575  1.00  0.00           H  
CONECT    1    2   11   17   23                                       
CONECT    2    1    3   12   24                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   25                                       
CONECT    5    4    6    6   26                                       
CONECT    6    5    5    7   27                                       
CONECT    7    6    8    8   28                                       
CONECT    8    3    7    7   29                                       
CONECT    9   14   30   31   32                                       
CONECT   10   14   17   33   34                                       
CONECT   11    1   15   15   16                                       
CONECT   12    2   13   13   20                                       
CONECT   13   12   12   14   19                                       
CONECT   14    9   10   13                                            
CONECT   15   11   11                                                 
CONECT   16   11   35                                                 
CONECT   17    1   10   36   37                                       
CONECT   18   19   19   21   38                                       
CONECT   19   13   18   18   39                                       
CONECT   20   12   21   21   40                                       
CONECT   21   18   20   20   22                                       
CONECT   22   21                                                      
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
