COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.512   1.716  -1.547  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.568   1.481  -0.664  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.402   0.116   0.071  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.242  -1.431   0.879  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.093  -1.903  -1.083  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.662   1.022   1.093  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.837   2.385   0.356  1.00  0.00           C  
HETATM    8  O   UNL     1       0.697   3.284  -0.074  1.00  0.00           O  
HETATM    9  S   UNL     1       0.959   2.209  -0.967  1.00  0.00           S  
HETATM   10  C   UNL     1       1.601   0.893   0.013  1.00  0.00           C  
HETATM   11  C   UNL     1       0.952   0.516   1.180  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.179   1.161   1.568  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.794   0.720   2.780  1.00  0.00           C  
HETATM   14  C   UNL     1       1.460  -0.521   1.949  1.00  0.00           C  
HETATM   15  C   UNL     1       2.610  -1.175   1.552  1.00  0.00           C  
HETATM   16  C   UNL     1       3.255  -0.797   0.389  1.00  0.00           C  
HETATM   17 BR   UNL     1       4.829  -1.695  -0.152  1.00  0.00          Br  
HETATM   18  C   UNL     1       2.748   0.233  -0.383  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.354   0.346  -0.808  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.194  -1.029  -0.067  1.00  0.00           N  
HETATM   21  C   UNL     1      -6.110  -2.459   0.121  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.107  -3.013  -0.918  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.303  -1.814  -2.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.881   2.153   1.230  1.00  0.00           C  
HETATM   25  O   UNL     1       1.816   2.326  -2.094  1.00  0.00           O  
HETATM   26  H   UNL     1      -4.797  -1.891   1.762  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.843  -0.568   1.165  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.478   0.844   1.777  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.228   3.271   0.466  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.093   0.835   3.607  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.685   1.316   2.974  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.073  -0.330   2.685  1.00  0.00           H  
HETATM   33  H   UNL     1       0.956  -0.816   2.858  1.00  0.00           H  
HETATM   34  H   UNL     1       3.005  -1.982   2.151  1.00  0.00           H  
HETATM   35  H   UNL     1       3.251   0.523  -1.294  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.151  -0.356  -1.603  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.454  -3.248   0.790  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.951  -1.972  -0.371  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.609  -3.215  -1.863  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.626  -3.916  -0.540  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.086   2.856   2.024  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.638   1.586  -2.500  1.00  0.00           H  
CONECT    1    2    9   42                                            
CONECT    2    1    7    7   19                                       
CONECT    3    6   19   19   20                                       
CONECT    4   20   21   26   27                                       
CONECT    5   20   22   23   23                                       
CONECT    6    3   24   24   28                                       
CONECT    7    2    2   24   29                                       
CONECT    8    9    9                                                 
CONECT    9    1    8    8   10                                       
CONECT    9   25   25                                                 
CONECT   10    9   11   11   18                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   13                                                 
CONECT   13   12   30   31   32                                       
CONECT   14   11   15   15   33                                       
CONECT   15   14   14   16   34                                       
CONECT   16   15   17   18   18                                       
CONECT   17   16                                                      
CONECT   18   10   16   16   35                                       
CONECT   19    2    3    3   36                                       
CONECT   20    3    4    5                                            
CONECT   21    4   22   37   38                                       
CONECT   22    5   21   39   40                                       
CONECT   23    5    5                                                 
CONECT   24    6    6    7   41                                       
CONECT   25    9    9                                                 
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30   13                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   24                                                      
CONECT   42    1                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
