COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       1.043   2.247   0.427  1.00  0.00           S  
HETATM    2  C   UNL     1       2.782   1.888   0.245  1.00  0.00           C  
HETATM    3  C   UNL     1       2.802   0.495   0.304  1.00  0.00           C  
HETATM    4  C   UNL     1       1.613  -0.168   0.477  1.00  0.00           C  
HETATM    5  C   UNL     1       0.447   0.571   0.579  1.00  0.00           C  
HETATM    6  C   UNL     1       3.861   2.786   0.076  1.00  0.00           C  
HETATM    7  O   UNL     1       4.996   2.359  -0.033  1.00  0.00           O  
HETATM    8  O   UNL     1       3.633   4.116   0.035  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.939   0.094   0.765  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.988   0.708   0.082  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.285   0.250   0.257  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.538  -0.809   1.121  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.498  -1.414   1.803  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.203  -0.970   1.630  1.00  0.00           C  
HETATM   15 BR   UNL     1       1.569  -2.056   0.574  1.00  0.00          Br  
HETATM   16  O   UNL     1       3.971  -0.188   0.199  1.00  0.00           O  
HETATM   17  C   UNL     1       4.166  -0.462  -1.190  1.00  0.00           C  
HETATM   18  C   UNL     1       5.453  -1.223  -1.376  1.00  0.00           C  
HETATM   19  O   UNL     1       5.844  -1.590  -2.606  1.00  0.00           O  
HETATM   20  O   UNL     1       6.134  -1.503  -0.417  1.00  0.00           O  
HETATM   21  N   UNL     1      -4.339   0.858  -0.429  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.711   0.379  -0.238  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.694   1.509  -0.551  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.126   1.009  -0.352  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.389  -0.171  -1.290  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.406  -1.301  -0.976  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.974  -0.801  -1.176  1.00  0.00           C  
HETATM   28  H   UNL     1       4.492   4.543  -0.084  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.790   1.530  -0.589  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.549  -1.161   1.261  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.700  -2.237   2.472  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.393  -1.446   2.164  1.00  0.00           H  
HETATM   33  H   UNL     1       4.216   0.477  -1.741  1.00  0.00           H  
HETATM   34  H   UNL     1       3.334  -1.059  -1.563  1.00  0.00           H  
HETATM   35  H   UNL     1       6.670  -2.079  -2.726  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.163   1.597  -1.032  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.843   0.058   0.795  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.506   2.349   0.117  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.561   1.830  -1.584  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.258   0.688   0.682  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.826   1.814  -0.575  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.409  -0.527  -1.148  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.257   0.150  -2.323  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.538  -1.622   0.057  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.594  -2.141  -1.645  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.842  -0.480  -2.209  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.274  -1.606  -0.953  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4   16                                       
CONECT    4    3    5    5   15                                       
CONECT    5    1    4    4    9                                       
CONECT    6    2    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   28                                                 
CONECT    9    5   10   14   14                                       
CONECT   10    9   11   11   29                                       
CONECT   11   10   10   12   21                                       
CONECT   12   11   13   13   30                                       
CONECT   13   12   12   14   31                                       
CONECT   14    9    9   13   32                                       
CONECT   15    4                                                      
CONECT   16    3   17                                                 
CONECT   17   16   18   33   34                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18   35                                                 
CONECT   20   18   18                                                 
CONECT   21   11   22   36                                            
CONECT   22   21   23   27   37                                       
CONECT   23   22   24   38   39                                       
CONECT   24   23   25   40   41                                       
CONECT   25   24   26   42   43                                       
CONECT   26   25   27   44   45                                       
CONECT   27   22   26   46   47                                       
CONECT   28    8                                                      
CONECT   29   10                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   19                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
