COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.458  -0.314  -0.417  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.106   0.864   0.216  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.778   1.216   0.338  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.788   0.379  -0.179  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.150  -0.806  -0.822  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.481  -1.148  -0.932  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.363   0.749  -0.052  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.277  -0.062   0.227  1.00  0.00           C  
HETATM    9  C   UNL     1       0.971   0.505   0.297  1.00  0.00           C  
HETATM   10  C   UNL     1       1.087   1.878   0.087  1.00  0.00           C  
HETATM   11  S   UNL     1      -0.604   2.356  -0.222  1.00  0.00           S  
HETATM   12  C   UNL     1       2.249   2.684   0.108  1.00  0.00           C  
HETATM   13  O   UNL     1       3.334   2.183   0.340  1.00  0.00           O  
HETATM   14  O   UNL     1       2.155   4.010  -0.128  1.00  0.00           O  
HETATM   15  O   UNL     1       2.064  -0.253   0.569  1.00  0.00           O  
HETATM   16  C   UNL     1       2.575  -0.708  -0.686  1.00  0.00           C  
HETATM   17  C   UNL     1       3.796  -1.559  -0.452  1.00  0.00           C  
HETATM   18  O   UNL     1       4.190  -1.755   0.673  1.00  0.00           O  
HETATM   19  O   UNL     1       4.447  -2.098  -1.495  1.00  0.00           O  
HETATM   20 BR   UNL     1      -0.509  -1.918   0.509  1.00  0.00          Br  
HETATM   21  H   UNL     1      -6.500  -0.585  -0.510  1.00  0.00           H  
HETATM   22  H   UNL     1      -5.874   1.510   0.616  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.505   2.136   0.833  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.388  -1.458  -1.225  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.763  -2.067  -1.425  1.00  0.00           H  
HETATM   26  H   UNL     1       3.050   4.369  -0.068  1.00  0.00           H  
HETATM   27  H   UNL     1       2.842   0.151  -1.302  1.00  0.00           H  
HETATM   28  H   UNL     1       1.813  -1.297  -1.195  1.00  0.00           H  
HETATM   29  H   UNL     1       5.231  -2.644  -1.345  1.00  0.00           H  
CONECT    1    2    2    6   21                                       
CONECT    2    1    1    3   22                                       
CONECT    3    2    4    4   23                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   24                                       
CONECT    6    1    5    5   25                                       
CONECT    7    4    8    8   11                                       
CONECT    8    7    7    9   20                                       
CONECT    9    8   10   10   15                                       
CONECT   10    9    9   11   12                                       
CONECT   11    7   10                                                 
CONECT   12   10   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   26                                                 
CONECT   15    9   16                                                 
CONECT   16   15   17   27   28                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   29                                                 
CONECT   20    8                                                      
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26   14                                                      
CONECT   27   16                                                      
CONECT   28   16                                                      
CONECT   29   19                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
