COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.001   0.236   0.036  1.00  0.00           C  
HETATM    2  C   UNL     1       3.837   2.368   0.336  1.00  0.00           C  
HETATM    3  C   UNL     1       2.583   1.891   0.267  1.00  0.00           C  
HETATM    4  C   UNL     1       1.827  -0.568  -0.079  1.00  0.00           C  
HETATM    5  C   UNL     1       2.375  -1.776  -0.241  1.00  0.00           C  
HETATM    6  C   UNL     1       0.359  -0.397  -0.056  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.397  -0.965   0.971  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.767  -0.801   0.986  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.392  -0.076  -0.014  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.647   0.489  -1.036  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.276   0.337  -1.059  1.00  0.00           C  
HETATM   12  N   UNL     1       2.671   0.516   0.074  1.00  0.00           N  
HETATM   13  N   UNL     1       4.688   1.343   0.192  1.00  0.00           N  
HETATM   14  S   UNL     1       4.128  -1.513  -0.204  1.00  0.00           S  
HETATM   15 BR   UNL     1      -4.270   0.142   0.015  1.00  0.00          Br  
HETATM   16  H   UNL     1       4.112   3.402   0.481  1.00  0.00           H  
HETATM   17  H   UNL     1       1.674   2.468   0.347  1.00  0.00           H  
HETATM   18  H   UNL     1       1.859  -2.716  -0.367  1.00  0.00           H  
HETATM   19  H   UNL     1       0.090  -1.530   1.751  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.353  -1.240   1.780  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.141   1.053  -1.813  1.00  0.00           H  
HETATM   22  H   UNL     1       0.304   0.781  -1.854  1.00  0.00           H  
CONECT    1   12   13   13   14                                       
CONECT    2    3    3   13   16                                       
CONECT    3    2    2   12   17                                       
CONECT    4    5    5    6   12                                       
CONECT    5    4    4   14   18                                       
CONECT    6    4    7    7   11                                       
CONECT    7    6    6    8   19                                       
CONECT    8    7    9    9   20                                       
CONECT    9    8    8   10   15                                       
CONECT   10    9   11   11   21                                       
CONECT   11    6   10   10   22                                       
CONECT   12    1    3    4                                            
CONECT   13    1    1    2                                            
CONECT   14    1    5                                                 
CONECT   15    9                                                      
CONECT   16    2                                                      
CONECT   17    3                                                      
CONECT   18    5                                                      
CONECT   19    7                                                      
CONECT   20    8                                                      
CONECT   21   10                                                      
CONECT   22   11                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
