COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.043   0.705   2.402  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.091   2.701  -1.517  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.811   1.397  -1.290  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.488   0.790  -2.332  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.148  -0.406  -2.123  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.132  -0.996  -0.873  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.456  -0.389   0.169  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.791   0.805  -0.041  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.840  -2.276  -0.649  1.00  0.00           N1+
HETATM   10  O   UNL     1      -5.826  -2.796   0.452  1.00  0.00           O1-
HETATM   11  O   UNL     1      -6.437  -2.811  -1.567  1.00  0.00           O  
HETATM   12  S   UNL     1      -2.923   1.574   1.285  1.00  0.00           S  
HETATM   13  O   UNL     1      -3.345   2.931   1.307  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.318   1.591   0.876  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.694   2.831   0.408  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.557   0.419   0.979  1.00  0.00           N  
HETATM   17  C   UNL     1       0.703   0.432   0.658  1.00  0.00           C  
HETATM   18  C   UNL     1       1.500  -0.795   0.765  1.00  0.00           C  
HETATM   19  C   UNL     1       1.055  -2.034   1.181  1.00  0.00           C  
HETATM   20  N   UNL     1       2.080  -2.880   1.138  1.00  0.00           N  
HETATM   21  C   UNL     1       3.166  -2.245   0.712  1.00  0.00           C  
HETATM   22  N   UNL     1       2.837  -0.938   0.463  1.00  0.00           N  
HETATM   23  C   UNL     1       3.777  -0.061   0.006  1.00  0.00           C  
HETATM   24  C   UNL     1       5.047  -0.467  -0.212  1.00  0.00           C  
HETATM   25 BR   UNL     1       6.334   0.765  -0.846  1.00  0.00          Br  
HETATM   26  C   UNL     1       5.414  -1.801   0.030  1.00  0.00           C  
HETATM   27  C   UNL     1       4.487  -2.682   0.495  1.00  0.00           C  
HETATM   28  H   UNL     1      -2.036   2.505  -1.710  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.528   3.213  -2.375  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.188   3.329  -0.631  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.500   1.251  -3.308  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.677  -0.880  -2.937  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.443  -0.850   1.146  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.209   3.333   1.245  1.00  0.00           H  
HETATM   35  H   UNL     1       0.048   2.598  -0.356  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.457   3.484  -0.015  1.00  0.00           H  
HETATM   37  H   UNL     1       1.163   1.346   0.312  1.00  0.00           H  
HETATM   38  H   UNL     1       0.049  -2.274   1.490  1.00  0.00           H  
HETATM   39  H   UNL     1       3.504   0.966  -0.183  1.00  0.00           H  
HETATM   40  H   UNL     1       6.430  -2.125  -0.145  1.00  0.00           H  
HETATM   41  H   UNL     1       4.759  -3.711   0.683  1.00  0.00           H  
CONECT    1   12   12                                                 
CONECT    2    3   28   29   30                                       
CONECT    3    2    8    8    4                                       
CONECT    4    3    5    5   31                                       
CONECT    5    4    4    6   32                                       
CONECT    6    7    7    5    9                                       
CONECT    7    8    6    6   33                                       
CONECT    8   12    3    3    7                                       
CONECT    9    6   11   11   10                                       
CONECT   10    9                                                      
CONECT   11    9    9                                                 
CONECT   12   14    1    1    8                                       
CONECT   12   13   13                                                 
CONECT   13   12   12                                                 
CONECT   14   15   16   12                                            
CONECT   15   14   34   35   36                                       
CONECT   16   17   17   14                                            
CONECT   17   18   16   16   37                                       
CONECT   18   19   19   17   22                                       
CONECT   19   20   18   18   38                                       
CONECT   20   19   21   21                                            
CONECT   21   20   20   27   22                                       
CONECT   22   18   21   23                                            
CONECT   23   22   24   24   39                                       
CONECT   24   26   23   23   25                                       
CONECT   25   24                                                      
CONECT   26   27   27   24   40                                       
CONECT   27   21   26   26   41                                       
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   23                                                      
CONECT   40   26                                                      
CONECT   41   27                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
