COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.109  -2.299   3.063  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.627  -2.207   1.721  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.549  -0.964   1.177  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.923   0.145   1.923  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.843   1.408   1.368  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.390   1.567   0.071  1.00  0.00           C  
HETATM    7 BR   UNL     1      -2.282   3.297  -0.685  1.00  0.00          Br  
HETATM    8  C   UNL     1      -2.016   0.463  -0.674  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.090  -0.801  -0.122  1.00  0.00           C  
HETATM   10  S   UNL     1      -1.607  -2.206  -1.068  1.00  0.00           S  
HETATM   11  O   UNL     1      -2.664  -3.149  -0.955  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.139  -1.709  -2.315  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.296  -2.880  -0.312  1.00  0.00           N  
HETATM   14  C   UNL     1       0.922  -2.189  -0.273  1.00  0.00           C  
HETATM   15  C   UNL     1       0.931  -0.802  -0.223  1.00  0.00           C  
HETATM   16  C   UNL     1       2.135  -0.121  -0.184  1.00  0.00           C  
HETATM   17  O   UNL     1       2.160   1.239  -0.134  1.00  0.00           O  
HETATM   18  C   UNL     1       3.235   1.837   0.595  1.00  0.00           C  
HETATM   19  C   UNL     1       3.001   1.649   2.095  1.00  0.00           C  
HETATM   20  C   UNL     1       3.301   3.331   0.272  1.00  0.00           C  
HETATM   21  C   UNL     1       4.536   1.182   0.205  1.00  0.00           C  
HETATM   22  O   UNL     1       5.567   1.821   0.217  1.00  0.00           O  
HETATM   23  N   UNL     1       4.549  -0.120  -0.157  1.00  0.00           N  
HETATM   24  C   UNL     1       3.336  -0.827  -0.196  1.00  0.00           C  
HETATM   25  C   UNL     1       3.328  -2.212  -0.245  1.00  0.00           C  
HETATM   26  C   UNL     1       2.123  -2.894  -0.278  1.00  0.00           C  
HETATM   27  O   UNL     1       2.112  -4.254  -0.327  1.00  0.00           O  
HETATM   28  H   UNL     1      -3.121  -3.344   3.374  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.454  -1.731   3.724  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.119  -1.893   3.115  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.277   0.021   2.935  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.135   2.271   1.948  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.663   0.590  -1.687  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.372  -3.753   0.103  1.00  0.00           H  
HETATM   35  H   UNL     1       0.000  -0.255  -0.215  1.00  0.00           H  
HETATM   36  H   UNL     1       2.953   0.585   2.325  1.00  0.00           H  
HETATM   37  H   UNL     1       3.821   2.104   2.650  1.00  0.00           H  
HETATM   38  H   UNL     1       2.062   2.125   2.378  1.00  0.00           H  
HETATM   39  H   UNL     1       2.362   3.805   0.556  1.00  0.00           H  
HETATM   40  H   UNL     1       4.121   3.787   0.827  1.00  0.00           H  
HETATM   41  H   UNL     1       3.467   3.465  -0.797  1.00  0.00           H  
HETATM   42  H   UNL     1       5.383  -0.559  -0.387  1.00  0.00           H  
HETATM   43  H   UNL     1       4.260  -2.759  -0.253  1.00  0.00           H  
HETATM   44  H   UNL     1       2.102  -4.679   0.542  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3                                                 
CONECT    3    4    2    9    9                                       
CONECT    4    5    5    3   31                                       
CONECT    5    4    4    6   32                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6                                                      
CONECT    8    6    6    9   33                                       
CONECT    9    3    3    8   10                                       
CONECT   10    9   12   12   13                                       
CONECT   10   11   11                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   14   34                                            
CONECT   14   26   13   15   15                                       
CONECT   15   14   14   16   35                                       
CONECT   16   24   24   15   17                                       
CONECT   17   16   18                                                 
CONECT   18   17   21   20   19                                       
CONECT   19   18   36   37   38                                       
CONECT   20   18   39   40   41                                       
CONECT   21   23   22   22   18                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   42                                            
CONECT   24   25   23   16   16                                       
CONECT   25   26   26   24   43                                       
CONECT   26   27   25   25   14                                       
CONECT   27   26   44                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    8                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   23                                                      
CONECT   43   25                                                      
CONECT   44   27                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
