COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.676   1.812   1.118  1.00  0.00           C  
HETATM    2  C   UNL     1       4.434   0.486   0.812  1.00  0.00           C  
HETATM    3  C   UNL     1       4.277   4.258   0.765  1.00  0.00           C  
HETATM    4  C   UNL     1       4.013   2.812   0.431  1.00  0.00           C  
HETATM    5  C   UNL     1       0.747  -1.497   0.244  1.00  0.00           C  
HETATM    6  O   UNL     1       0.557  -0.636  -0.597  1.00  0.00           O  
HETATM    7  N   UNL     1      -0.261  -1.905   1.021  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.472  -1.372   0.876  1.00  0.00           C  
HETATM    9  O   UNL     1       4.370  -2.255  -0.153  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.726  -1.002   1.256  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.632  -0.103   0.284  1.00  0.00           C  
HETATM   12  C   UNL     1       2.866   1.160  -0.868  1.00  0.00           C  
HETATM   13  O   UNL     1       2.733  -1.551  -1.906  1.00  0.00           O  
HETATM   14 BR   UNL     1      -5.012   0.998  -0.394  1.00  0.00          Br  
HETATM   15  S   UNL     1      -1.942  -0.153  -0.246  1.00  0.00           S  
HETATM   16  N   UNL     1      -2.589  -1.680   1.576  1.00  0.00           N  
HETATM   17  N   UNL     1       1.973  -2.037   0.391  1.00  0.00           N  
HETATM   18  S   UNL     1       3.221  -1.531  -0.572  1.00  0.00           S  
HETATM   19  C   UNL     1       3.529   0.160  -0.181  1.00  0.00           C  
HETATM   20  C   UNL     1       3.109   2.486  -0.562  1.00  0.00           C  
HETATM   21  H   UNL     1       5.379   2.067   1.897  1.00  0.00           H  
HETATM   22  H   UNL     1       4.951  -0.296   1.349  1.00  0.00           H  
HETATM   23  H   UNL     1       5.096   4.629   0.149  1.00  0.00           H  
HETATM   24  H   UNL     1       3.380   4.845   0.569  1.00  0.00           H  
HETATM   25  H   UNL     1       4.545   4.344   1.818  1.00  0.00           H  
HETATM   26  H   UNL     1       2.591   3.267  -1.099  1.00  0.00           H  
HETATM   27  H   UNL     1       2.124  -2.723   1.060  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.580  -2.353   2.275  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.658  -1.186   1.769  1.00  0.00           H  
HETATM   30  H   UNL     1       2.160   0.905  -1.644  1.00  0.00           H  
CONECT    1    2    4    4   21                                       
CONECT    2    1   19   19   22                                       
CONECT    3    4   23   24   25                                       
CONECT    4    1    1    3   20                                       
CONECT    5    6    6    7   17                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    8                                            
CONECT    8    7    7   15   16                                       
CONECT    9   18   18                                                 
CONECT   10   11   11   16   29                                       
CONECT   11   10   10   14   15                                       
CONECT   12   19   20   20   30                                       
CONECT   13   18   18                                                 
CONECT   14   11                                                      
CONECT   15    8   11                                                 
CONECT   16    8   10   28                                            
CONECT   17    5   18   27                                            
CONECT   18    9    9   13   13                                       
CONECT   18   17   19                                                 
CONECT   19    2    2   12   18                                       
CONECT   20    4   12   12   26                                       
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26   20                                                      
CONECT   27   17                                                      
CONECT   28   16                                                      
CONECT   29   10                                                      
CONECT   30   12                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
