COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.550  -0.108  -0.571  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.137   0.272  -0.357  1.00  0.00           C  
HETATM    3  C   UNL     1       0.840  -0.717  -0.217  1.00  0.00           C  
HETATM    4  C   UNL     1       0.222   1.616  -0.299  1.00  0.00           C  
HETATM    5  C   UNL     1       2.161  -0.364  -0.016  1.00  0.00           C  
HETATM    6  C   UNL     1       2.526   0.966   0.048  1.00  0.00           C  
HETATM    7  C   UNL     1       1.558   1.967  -0.096  1.00  0.00           C  
HETATM    8  C   UNL     1       1.948   3.385  -0.034  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.539   0.689  -0.120  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.516  -0.527   0.649  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.217   1.868   0.688  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.934   0.378  -0.439  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.820  -1.137  -1.159  1.00  0.00           O  
HETATM   14  O   UNL     1       3.109   3.687   0.142  1.00  0.00           O  
HETATM   15  S   UNL     1      -6.244  -0.913   0.254  1.00  0.00           S  
HETATM   16 BR   UNL     1       3.476  -1.711   0.172  1.00  0.00          Br  
HETATM   17  H   UNL     1       0.562  -1.759  -0.267  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.529   2.384  -0.411  1.00  0.00           H  
HETATM   19  H   UNL     1       3.560   1.235   0.206  1.00  0.00           H  
HETATM   20  H   UNL     1       1.200   4.156  -0.146  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.940  -1.451   0.699  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.468  -0.016   1.610  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.106   2.736   0.038  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.022   2.049   1.402  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.286   1.696   1.227  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.510   1.302  -0.489  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.982  -0.133  -1.401  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.619  -1.701   1.277  1.00  0.00           H  
CONECT    1   13   13    9    2                                       
CONECT    2    3    1    4    4                                       
CONECT    3    5    5    2   17                                       
CONECT    4    2    2    7   18                                       
CONECT    5   16    3    3    6                                       
CONECT    6    5    7    7   19                                       
CONECT    7    6    6    4    8                                       
CONECT    8    7   14   14   20                                       
CONECT    9   11    1   12                                            
CONECT   10   12   15   21   22                                       
CONECT   11    9   23   24   25                                       
CONECT   12    9   10   26   27                                       
CONECT   13    1    1                                                 
CONECT   14    8    8                                                 
CONECT   15   10   28                                                 
CONECT   16    5                                                      
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    6                                                      
CONECT   20    8                                                      
CONECT   21   10                                                      
CONECT   22   10                                                      
CONECT   23   11                                                      
CONECT   24   11                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   12                                                      
CONECT   28   15                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
