COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.844  -0.230  -0.337  1.00  0.00           C  
HETATM    2  C   UNL     1       4.306   4.017   1.083  1.00  0.00           C  
HETATM    3  C   UNL     1       0.100  -1.367  -0.662  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.074  -1.729   0.139  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.352  -1.223  -0.011  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.592   0.122   0.202  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.276   0.456   0.710  1.00  0.00           C  
HETATM    8  C   UNL     1       4.317  -3.340   2.148  1.00  0.00           C  
HETATM    9  C   UNL     1       2.770  -3.781   0.371  1.00  0.00           C  
HETATM   10  C   UNL     1       1.419  -3.343  -0.199  1.00  0.00           C  
HETATM   11  C   UNL     1       2.279  -1.635  -1.683  1.00  0.00           C  
HETATM   12  C   UNL     1       1.784  -0.358  -2.369  1.00  0.00           C  
HETATM   13  C   UNL     1       1.945   0.824  -1.412  1.00  0.00           C  
HETATM   14  C   UNL     1       3.739  -1.445  -1.262  1.00  0.00           C  
HETATM   15  C   UNL     1       3.561   2.105  -0.277  1.00  0.00           C  
HETATM   16  C   UNL     1       3.005   3.983   0.791  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.645  -1.442   0.672  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.037  -0.890   0.502  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.554   0.961   0.565  1.00  0.00           C  
HETATM   20  N   UNL     1       1.457  -1.905  -0.496  1.00  0.00           N  
HETATM   21  N   UNL     1       3.359   0.965  -1.039  1.00  0.00           N  
HETATM   22  N   UNL     1       2.634   2.947   0.060  1.00  0.00           N  
HETATM   23  O   UNL     1       3.070  -3.008   1.535  1.00  0.00           O  
HETATM   24  S   UNL     1       5.070   2.611   0.347  1.00  0.00           S  
HETATM   25 BR   UNL     1      -6.340   0.814  -0.005  1.00  0.00          Br  
HETATM   26  H   UNL     1       3.239  -0.399   0.554  1.00  0.00           H  
HETATM   27  H   UNL     1       4.884  -0.084  -0.046  1.00  0.00           H  
HETATM   28  H   UNL     1       4.805   4.778   1.666  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.434  -1.952  -1.411  1.00  0.00           H  
HETATM   30  H   UNL     1       0.159  -0.328  -0.987  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.887  -2.780  -0.023  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.162  -1.879  -0.295  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.465   1.111   0.994  1.00  0.00           H  
HETATM   34  H   UNL     1       4.471  -2.709   3.023  1.00  0.00           H  
HETATM   35  H   UNL     1       4.306  -4.387   2.451  1.00  0.00           H  
HETATM   36  H   UNL     1       5.127  -3.177   1.436  1.00  0.00           H  
HETATM   37  H   UNL     1       2.727  -4.837   0.638  1.00  0.00           H  
HETATM   38  H   UNL     1       3.547  -3.627  -0.378  1.00  0.00           H  
HETATM   39  H   UNL     1       1.213  -3.899  -1.113  1.00  0.00           H  
HETATM   40  H   UNL     1       0.635  -3.543   0.532  1.00  0.00           H  
HETATM   41  H   UNL     1       2.206  -2.473  -2.376  1.00  0.00           H  
HETATM   42  H   UNL     1       2.369  -0.179  -3.271  1.00  0.00           H  
HETATM   43  H   UNL     1       0.733  -0.472  -2.633  1.00  0.00           H  
HETATM   44  H   UNL     1       1.607   1.737  -1.902  1.00  0.00           H  
HETATM   45  H   UNL     1       1.349   0.651  -0.516  1.00  0.00           H  
HETATM   46  H   UNL     1       4.355  -1.283  -2.146  1.00  0.00           H  
HETATM   47  H   UNL     1       4.084  -2.335  -0.735  1.00  0.00           H  
HETATM   48  H   UNL     1       2.312   4.741   1.124  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.704  -2.481   0.997  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.111  -0.858   1.421  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.742   2.012   0.731  1.00  0.00           H  
CONECT    1   14   21   26   27                                       
CONECT    2   24   16   16   28                                       
CONECT    3   17   20   29   30                                       
CONECT    4    5    5   18   31                                       
CONECT    5    6    4    4   32                                       
CONECT    6   25   19   19    5                                       
CONECT    7   19   18   18   33                                       
CONECT    8   23   34   35   36                                       
CONECT    9   23   10   37   38                                       
CONECT   10   20    9   39   40                                       
CONECT   11   12   20   14   41                                       
CONECT   12   11   13   42   43                                       
CONECT   13   12   21   44   45                                       
CONECT   14   11    1   46   47                                       
CONECT   15   21   24   22   22                                       
CONECT   16   22    2    2   48                                       
CONECT   17   18    3   49   50                                       
CONECT   18    7    7    4   17                                       
CONECT   19    6    6    7   51                                       
CONECT   20    3   10   11                                            
CONECT   21   13   15    1                                            
CONECT   22   15   15   16                                            
CONECT   23    8    9                                                 
CONECT   24   15    2                                                 
CONECT   25    6                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   19                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
