COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.899  -0.383   0.341  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.242  -1.017   0.589  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.877  -1.421  -0.111  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.091   0.870   1.321  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.147  -0.132   0.933  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.759   0.881  -1.875  1.00  0.00           O  
HETATM    7  C   UNL     1       1.189   0.512   0.672  1.00  0.00           C  
HETATM    8  C   UNL     1       1.341   1.877   0.829  1.00  0.00           C  
HETATM    9  C   UNL     1       3.491   0.330   0.037  1.00  0.00           C  
HETATM   10  C   UNL     1       2.568   2.469   0.590  1.00  0.00           C  
HETATM   11  C   UNL     1       3.643   1.695   0.194  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.402   0.355   1.580  1.00  0.00           C  
HETATM   13  S   UNL     1      -3.228   0.799  -1.003  1.00  0.00           S  
HETATM   14  N   UNL     1      -5.202  -0.552  -0.197  1.00  0.00           N  
HETATM   15  O   UNL     1      -4.428  -1.872   1.429  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.952   0.391  -1.110  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.601  -0.786  -0.255  1.00  0.00           O  
HETATM   18  C   UNL     1       2.265  -0.263   0.281  1.00  0.00           C  
HETATM   19 BR   UNL     1       4.962  -0.729  -0.506  1.00  0.00          Br  
HETATM   20  H   UNL     1      -1.808  -2.213   0.634  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.184  -1.843  -1.067  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.047  -0.865   1.734  1.00  0.00           H  
HETATM   23  H   UNL     1       0.501   2.482   1.138  1.00  0.00           H  
HETATM   24  H   UNL     1       2.686   3.535   0.713  1.00  0.00           H  
HETATM   25  H   UNL     1       4.600   2.158   0.003  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.079   1.178   1.809  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.364  -0.334   2.424  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.102  -0.903  -0.109  1.00  0.00           H  
HETATM   29  H   UNL     1       2.148  -1.330   0.163  1.00  0.00           H  
CONECT    1    2   12   13    3                                       
CONECT    2    1   14   15   15                                       
CONECT    3    1   17   20   21                                       
CONECT    4   12    5                                                 
CONECT    5    4   17    7   22                                       
CONECT    6   16   16                                                 
CONECT    7    5   18   18    8                                       
CONECT    8    7   10   10   23                                       
CONECT    9   18   11   11   19                                       
CONECT   10    8    8   11   24                                       
CONECT   11    9    9   10   25                                       
CONECT   12    1    4   26   27                                       
CONECT   13    1   16                                                 
CONECT   14    2   16   28                                            
CONECT   15    2    2                                                 
CONECT   16   13   14    6    6                                       
CONECT   17    3    5                                                 
CONECT   18    7    7    9   29                                       
CONECT   19    9                                                      
CONECT   20    3                                                      
CONECT   21    3                                                      
CONECT   22    5                                                      
CONECT   23    8                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   12                                                      
CONECT   28   14                                                      
CONECT   29   18                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
