COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.061  -0.466  -0.004  1.00  0.00           C  
HETATM    2 BR   UNL     1       3.098  -0.290   0.001  1.00  0.00          Br  
HETATM    3  C   UNL     1       1.267   0.183  -0.002  1.00  0.00           C  
HETATM    4  C   UNL     1       0.902   1.522  -0.006  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.430   1.872   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.413   0.887   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -3.172   1.003   0.003  1.00  0.00           S  
HETATM    8  C   UNL     1      -3.302  -0.750   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.490  -1.452   0.001  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.130  -1.287  -0.003  1.00  0.00           N  
HETATM   11  C   UNL     1       0.310  -0.802  -0.001  1.00  0.00           C  
HETATM   12  H   UNL     1       1.663   2.289  -0.007  1.00  0.00           H  
HETATM   13  H   UNL     1      -0.712   2.915  -0.002  1.00  0.00           H  
HETATM   14  H   UNL     1      -5.335  -0.975   0.004  1.00  0.00           H  
HETATM   15  H   UNL     1      -4.480  -2.422  -0.001  1.00  0.00           H  
HETATM   16  H   UNL     1       0.608  -1.840   0.002  1.00  0.00           H  
CONECT    1   11   11    6   10                                       
CONECT    2    3                                                      
CONECT    3    2    4    4   11                                       
CONECT    4    3    3    5   12                                       
CONECT    5    4    6    6   13                                       
CONECT    6    5    5    1    7                                       
CONECT    7    6    8                                                 
CONECT    8   10   10    7    9                                       
CONECT    9    8   14   15                                            
CONECT   10    1    8    8                                            
CONECT   11    3    1    1   16                                       
CONECT   12    4                                                      
CONECT   13    5                                                      
CONECT   14    9                                                      
CONECT   15    9                                                      
CONECT   16   11                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
