COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.450  -0.147   0.213  1.00  0.00           C  
HETATM    2  N   UNL     1       2.132  -3.022  -0.792  1.00  0.00           N  
HETATM    3  S   UNL     1       3.116   1.554  -0.043  1.00  0.00           S  
HETATM    4  C   UNL     1       1.378   1.281  -0.056  1.00  0.00           C  
HETATM    5  C   UNL     1       1.115  -0.079   0.133  1.00  0.00           C  
HETATM    6  C   UNL     1       2.337  -0.851   0.281  1.00  0.00           C  
HETATM    7  C   UNL     1       0.318   2.178  -0.217  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.980   1.726  -0.190  1.00  0.00           C  
HETATM    9  C   UNL     1       2.333  -2.343   0.495  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.246   0.376  -0.003  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.228  -0.515   0.155  1.00  0.00           C  
HETATM   12 BR   UNL     1      -3.036  -0.231   0.033  1.00  0.00          Br  
HETATM   13  H   UNL     1       0.519   3.229  -0.362  1.00  0.00           H  
HETATM   14  H   UNL     1      -1.796   2.423  -0.315  1.00  0.00           H  
HETATM   15  H   UNL     1      -0.449  -1.562   0.299  1.00  0.00           H  
HETATM   16  H   UNL     1       4.442  -0.567   0.299  1.00  0.00           H  
HETATM   17  H   UNL     1       1.525  -2.609   1.177  1.00  0.00           H  
HETATM   18  H   UNL     1       3.287  -2.651   0.924  1.00  0.00           H  
HETATM   19  H   UNL     1       2.125  -4.024  -0.674  1.00  0.00           H  
HETATM   20  H   UNL     1       1.285  -2.705  -1.240  1.00  0.00           H  
CONECT    1    6    6    3   16                                       
CONECT    2    9   19   20                                            
CONECT    3    1    4                                                 
CONECT    4    7    5    5    3                                       
CONECT    5   11    6    4    4                                       
CONECT    6    1    1    5    9                                       
CONECT    7    8    8    4   13                                       
CONECT    8    7    7   10   14                                       
CONECT    9    6    2   17   18                                       
CONECT   10    8   11   11   12                                       
CONECT   11    5   10   10   15                                       
CONECT   12   10                                                      
CONECT   13    7                                                      
CONECT   14    8                                                      
CONECT   15   11                                                      
CONECT   16    1                                                      
CONECT   17    9                                                      
CONECT   18    9                                                      
CONECT   19    2                                                      
CONECT   20    2                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
