COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -3.329  -0.710   0.026  1.00  0.00           S  
HETATM    2  O   UNL     1      -4.078  -0.127  -1.031  1.00  0.00           O  
HETATM    3  O   UNL     1      -3.821  -0.832   1.354  1.00  0.00           O  
HETATM    4  N   UNL     1      -2.935  -2.241  -0.468  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.803  -2.538  -1.897  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.335  -2.421  -2.309  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.718  -3.298   0.523  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.983  -4.150   0.644  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.827   0.205   0.135  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.865   1.587   0.224  1.00  0.00           C  
HETATM   11 BR   UNL     1      -3.529   2.485   0.229  1.00  0.00          Br  
HETATM   12  C   UNL     1      -0.689   2.313   0.311  1.00  0.00           C  
HETATM   13  C   UNL     1       0.528   1.664   0.307  1.00  0.00           C  
HETATM   14  C   UNL     1       0.573   0.272   0.217  1.00  0.00           C  
HETATM   15  C   UNL     1       1.873  -0.430   0.213  1.00  0.00           C  
HETATM   16  O   UNL     1       1.909  -1.643   0.134  1.00  0.00           O  
HETATM   17  N   UNL     1       3.019   0.274   0.296  1.00  0.00           N  
HETATM   18  C   UNL     1       4.238  -0.390   0.396  1.00  0.00           C  
HETATM   19  C   UNL     1       4.294  -1.668   0.934  1.00  0.00           C  
HETATM   20  C   UNL     1       5.505  -2.325   1.031  1.00  0.00           C  
HETATM   21  C   UNL     1       6.670  -1.717   0.594  1.00  0.00           C  
HETATM   22  C   UNL     1       6.634  -0.448   0.057  1.00  0.00           C  
HETATM   23  C   UNL     1       5.416   0.228  -0.053  1.00  0.00           C  
HETATM   24  C   UNL     1       5.370   1.582  -0.632  1.00  0.00           C  
HETATM   25  O   UNL     1       4.325   2.203  -0.642  1.00  0.00           O  
HETATM   26  O   UNL     1       6.485   2.133  -1.149  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.617  -0.456   0.136  1.00  0.00           C  
HETATM   28  H   UNL     1      -3.155  -3.551  -2.091  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.400  -1.829  -2.471  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.738  -3.129  -1.734  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.237  -2.642  -3.372  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.982  -1.408  -2.115  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.885  -3.926   0.208  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.816  -3.522   0.959  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.212  -4.600  -0.322  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.725   3.390   0.381  1.00  0.00           H  
HETATM   37  H   UNL     1       1.444   2.232   0.374  1.00  0.00           H  
HETATM   38  H   UNL     1       2.994   1.244   0.287  1.00  0.00           H  
HETATM   39  H   UNL     1       3.391  -2.149   1.277  1.00  0.00           H  
HETATM   40  H   UNL     1       5.543  -3.319   1.451  1.00  0.00           H  
HETATM   41  H   UNL     1       7.612  -2.239   0.675  1.00  0.00           H  
HETATM   42  H   UNL     1       7.546   0.022  -0.282  1.00  0.00           H  
HETATM   43  H   UNL     1       6.405   3.023  -1.517  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.589  -1.533   0.071  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.489  -2.849   1.489  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.822  -4.937   1.381  1.00  0.00           H  
CONECT    1    2    2    9    3                                       
CONECT    1    3    4                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    1    7    5                                            
CONECT    5    4   28   29    6                                       
CONECT    6    5   30   31   32                                       
CONECT    7    4   33    8   45                                       
CONECT    8    7   34   35   46                                       
CONECT    9    1   10   27   27                                       
CONECT   10    9   12   12   11                                       
CONECT   11   10                                                      
CONECT   12   10   10   36   13                                       
CONECT   13   12   37   14   14                                       
CONECT   14   13   13   15   27                                       
CONECT   15   14   17   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   15   38   18                                            
CONECT   18   17   23   19   19                                       
CONECT   19   18   18   39   20                                       
CONECT   20   19   21   21   40                                       
CONECT   21   20   20   22   41                                       
CONECT   22   21   23   23   42                                       
CONECT   23   18   22   22   24                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   43                                                 
CONECT   27    9    9   14   44                                       
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
