COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.481  -1.404  -0.814  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.612  -0.241  -0.161  1.00  0.00           C  
HETATM    3  C   UNL     1       2.425   0.013  -0.840  1.00  0.00           C  
HETATM    4  C   UNL     1       3.086   1.293  -0.398  1.00  0.00           C  
HETATM    5  C   UNL     1       2.829   1.805   0.860  1.00  0.00           C  
HETATM    6  C   UNL     1       3.435   2.979   1.266  1.00  0.00           C  
HETATM    7  C   UNL     1       4.300   3.641   0.415  1.00  0.00           C  
HETATM    8  C   UNL     1       4.558   3.128  -0.843  1.00  0.00           C  
HETATM    9  C   UNL     1       3.955   1.952  -1.247  1.00  0.00           C  
HETATM   10  C   UNL     1       2.984  -1.141  -0.049  1.00  0.00           C  
HETATM   11  C   UNL     1       4.015  -1.901  -0.568  1.00  0.00           C  
HETATM   12  C   UNL     1       4.527  -2.960   0.157  1.00  0.00           C  
HETATM   13  O   UNL     1       0.664  -1.964  -1.358  1.00  0.00           O  
HETATM   14  C   UNL     1       0.182  -0.936  -0.919  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.266  -0.832  -0.721  1.00  0.00           C  
HETATM   16  S   UNL     1      -2.092   0.491   0.091  1.00  0.00           S  
HETATM   17 BR   UNL     1      -5.261   0.490   0.407  1.00  0.00          Br  
HETATM   18  C   UNL     1      -2.190  -1.753  -1.128  1.00  0.00           C  
HETATM   19  N   UNL     1       0.980   0.106  -0.614  1.00  0.00           N  
HETATM   20  C   UNL     1       0.404   1.332  -0.057  1.00  0.00           C  
HETATM   21  C   UNL     1       2.469  -1.436   1.200  1.00  0.00           C  
HETATM   22  C   UNL     1       2.982  -2.495   1.926  1.00  0.00           C  
HETATM   23  C   UNL     1       4.008  -3.259   1.403  1.00  0.00           C  
HETATM   24  H   UNL     1      -4.328  -2.023  -1.070  1.00  0.00           H  
HETATM   25  H   UNL     1       2.617  -0.147  -1.901  1.00  0.00           H  
HETATM   26  H   UNL     1       2.153   1.288   1.526  1.00  0.00           H  
HETATM   27  H   UNL     1       3.234   3.379   2.249  1.00  0.00           H  
HETATM   28  H   UNL     1       4.773   4.558   0.732  1.00  0.00           H  
HETATM   29  H   UNL     1       5.233   3.646  -1.509  1.00  0.00           H  
HETATM   30  H   UNL     1       4.159   1.550  -2.229  1.00  0.00           H  
HETATM   31  H   UNL     1       4.420  -1.667  -1.542  1.00  0.00           H  
HETATM   32  H   UNL     1       5.332  -3.554  -0.249  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.931  -2.661  -1.653  1.00  0.00           H  
HETATM   34  H   UNL     1       0.294   1.225   1.022  1.00  0.00           H  
HETATM   35  H   UNL     1       1.062   2.174  -0.273  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.574   1.511  -0.506  1.00  0.00           H  
HETATM   37  H   UNL     1       1.666  -0.840   1.608  1.00  0.00           H  
HETATM   38  H   UNL     1       2.580  -2.725   2.902  1.00  0.00           H  
HETATM   39  H   UNL     1       4.409  -4.086   1.971  1.00  0.00           H  
CONECT    1    2    2   18   24                                       
CONECT    2   16   17    1    1                                       
CONECT    3   10   19    4   25                                       
CONECT    4    3    9    9    5                                       
CONECT    5    4    6    6   26                                       
CONECT    6    5    5    7   27                                       
CONECT    7    8    8    6   28                                       
CONECT    8    9    7    7   29                                       
CONECT    9    4    4    8   30                                       
CONECT   10   21   21   11    3                                       
CONECT   11   12   12   10   31                                       
CONECT   12   23   11   11   32                                       
CONECT   13   14   14                                                 
CONECT   14   13   13   19   15                                       
CONECT   15   14   16   18   18                                       
CONECT   16   15    2                                                 
CONECT   17    2                                                      
CONECT   18   15   15    1   33                                       
CONECT   19   20   14    3                                            
CONECT   20   19   34   35   36                                       
CONECT   21   22   10   10   37                                       
CONECT   22   23   23   21   38                                       
CONECT   23   22   22   12   39                                       
CONECT   24    1                                                      
CONECT   25    3                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   18                                                      
CONECT   34   20                                                      
CONECT   35   20                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
