COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -2.149   0.760   3.174  1.00  0.00           S  
HETATM    2  O   UNL     1      -1.116   1.501   2.540  1.00  0.00           O  
HETATM    3  O   UNL     1      -2.743   1.081   4.424  1.00  0.00           O  
HETATM    4  O   UNL     1      -1.610  -0.655   3.323  1.00  0.00           O  
HETATM    5  N   UNL     1      -3.395   0.703   2.085  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.923  -0.936   2.185  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.595  -1.407   1.066  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.895  -1.692  -0.089  1.00  0.00           C  
HETATM    9  C   UNL     1       0.474  -1.508  -0.132  1.00  0.00           C  
HETATM   10  C   UNL     1       1.147  -1.038   0.979  1.00  0.00           C  
HETATM   11  C   UNL     1       0.450  -0.746   2.137  1.00  0.00           C  
HETATM   12  C   UNL     1       1.235  -1.820  -1.395  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.723   0.341  -6.011  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.538   0.536  -6.777  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.694   0.094  -5.046  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.769   0.679  -3.778  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.779   0.439  -2.852  1.00  0.00           C  
HETATM   18  C   UNL     1       0.294  -0.383  -3.177  1.00  0.00           C  
HETATM   19  C   UNL     1       0.374  -0.963  -4.440  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.614  -0.732  -5.369  1.00  0.00           C  
HETATM   21  N   UNL     1       1.294  -0.623  -2.238  1.00  0.00           N  
HETATM   22  N   UNL     1       3.674   1.944  -2.387  1.00  0.00           N  
HETATM   23  N   UNL     1       4.138   1.248  -1.410  1.00  0.00           N  
HETATM   24  C   UNL     1       3.365   0.219  -1.197  1.00  0.00           C  
HETATM   25  N   UNL     1       2.356   0.279  -2.100  1.00  0.00           N  
HETATM   26  C   UNL     1       2.586   1.387  -2.845  1.00  0.00           C  
HETATM   27 BR   UNL     1       1.370  -0.104   3.659  1.00  0.00          Br  
HETATM   28  H   UNL     1      -3.750   1.525   1.710  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.767  -0.151   1.818  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.665  -1.552   1.100  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.418  -2.059  -0.960  1.00  0.00           H  
HETATM   32  H   UNL     1       2.217  -0.895   0.943  1.00  0.00           H  
HETATM   33  H   UNL     1       0.730  -2.620  -1.935  1.00  0.00           H  
HETATM   34  H   UNL     1       2.247  -2.135  -1.141  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.602   1.317  -3.525  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.836   0.890  -1.872  1.00  0.00           H  
HETATM   37  H   UNL     1       1.209  -1.601  -4.688  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.553  -1.185  -6.347  1.00  0.00           H  
HETATM   39  H   UNL     1       3.503  -0.539  -0.441  1.00  0.00           H  
HETATM   40  H   UNL     1       1.979   1.746  -3.663  1.00  0.00           H  
CONECT    1    2    2    3    3                                       
CONECT    1    4    5                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    1    6                                                 
CONECT    5    1   28   29                                            
CONECT    6    4    7    7   11                                       
CONECT    7    6    6    8   30                                       
CONECT    8    7    9    9   31                                       
CONECT    9    8    8   10   12                                       
CONECT   10    9   11   11   32                                       
CONECT   11    6   10   10   27                                       
CONECT   12    9   21   33   34                                       
CONECT   13   14   14   14   15                                       
CONECT   14   13   13   13                                            
CONECT   15   13   16   20   20                                       
CONECT   16   15   17   17   35                                       
CONECT   17   16   16   18   36                                       
CONECT   18   17   19   19   21                                       
CONECT   19   18   18   20   37                                       
CONECT   20   15   15   19   38                                       
CONECT   21   12   18   25                                            
CONECT   22   23   26   26                                            
CONECT   23   22   24   24                                            
CONECT   24   23   23   25   39                                       
CONECT   25   21   24   26                                            
CONECT   26   22   22   25   40                                       
CONECT   27   11                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   24                                                      
CONECT   40   26                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
