COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.484  -0.657  -0.238  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.749   1.561   0.442  1.00  0.00           C  
HETATM    3  C   UNL     1       2.266   0.212   0.071  1.00  0.00           C  
HETATM    4  N   UNL     1       3.909  -1.181  -0.337  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.060  -0.225  -0.084  1.00  0.00           C  
HETATM    6  C   UNL     1       4.700  -0.202  -0.034  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.893  -2.758   0.742  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.220  -0.584   0.051  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.488   0.736  -0.312  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.449   1.594  -0.649  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.147   1.148  -0.626  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.868  -0.177  -0.263  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.918  -1.041   0.082  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.457   0.219   0.037  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.981   2.626   0.762  1.00  0.00           N  
HETATM   16  N   UNL     1       0.945   0.632   0.185  1.00  0.00           N  
HETATM   17  N   UNL     1       2.666  -0.974  -0.285  1.00  0.00           N  
HETATM   18  O   UNL     1      -7.241  -1.420   0.380  1.00  0.00           O  
HETATM   19  O   UNL     1      -7.770   1.183  -0.337  1.00  0.00           O  
HETATM   20  O   UNL     1       0.189  -1.365  -0.427  1.00  0.00           O  
HETATM   21  S   UNL     1       3.700   1.194   0.375  1.00  0.00           S  
HETATM   22 BR   UNL     1       6.590  -0.256  -0.033  1.00  0.00          Br  
HETATM   23  H   UNL     1      -2.270  -1.697  -0.431  1.00  0.00           H  
HETATM   24  H   UNL     1      -6.237  -2.740   1.612  1.00  0.00           H  
HETATM   25  H   UNL     1      -7.798  -3.316   0.980  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.379  -3.238  -0.091  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.663   2.615  -0.929  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.341   1.817  -0.889  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.708  -2.061   0.367  1.00  0.00           H  
HETATM   30  H   UNL     1       0.748   1.541   0.459  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.071   1.559   0.501  1.00  0.00           H  
CONECT    1   12   14   14   23                                       
CONECT    2   14   15   15   15                                       
CONECT    3   21   16   17   17                                       
CONECT    4    6    6   17                                            
CONECT    5   20   20   16   14                                       
CONECT    6   22   21    4    4                                       
CONECT    7   18   24   25   26                                       
CONECT    8    9    9   13   18                                       
CONECT    9   10   19    8    8                                       
CONECT   10   11   11    9   27                                       
CONECT   11   10   10   12   28                                       
CONECT   12   11    1   13   13                                       
CONECT   13   12   12    8   29                                       
CONECT   14    1    1    5    2                                       
CONECT   15    2    2    2                                            
CONECT   16    5    3   30                                            
CONECT   17    4    3    3                                            
CONECT   18    8    7                                                 
CONECT   19    9   31                                                 
CONECT   20    5    5                                                 
CONECT   21    6    3                                                 
CONECT   22    6                                                      
CONECT   23    1                                                      
CONECT   24    7                                                      
CONECT   25    7                                                      
CONECT   26    7                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   13                                                      
CONECT   30   16                                                      
CONECT   31   19                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
