COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.626  -3.735  -2.646  1.00  0.00           C  
HETATM    2  O   UNL     1       0.328  -3.132  -1.385  1.00  0.00           O  
HETATM    3  C   UNL     1       1.147  -2.128  -0.973  1.00  0.00           C  
HETATM    4  C   UNL     1       2.212  -1.729  -1.767  1.00  0.00           C  
HETATM    5  C   UNL     1       3.043  -0.709  -1.346  1.00  0.00           C  
HETATM    6  C   UNL     1       2.814  -0.086  -0.132  1.00  0.00           C  
HETATM    7 BR   UNL     1       3.953   1.310   0.442  1.00  0.00          Br  
HETATM    8  C   UNL     1       1.752  -0.482   0.662  1.00  0.00           C  
HETATM    9  C   UNL     1       0.916  -1.498   0.242  1.00  0.00           C  
HETATM   10  S   UNL     1      -0.440  -1.997   1.250  1.00  0.00           S  
HETATM   11  O   UNL     1      -0.351  -3.410   1.371  1.00  0.00           O  
HETATM   12  O   UNL     1      -0.453  -1.120   2.368  1.00  0.00           O  
HETATM   13  N   UNL     1      -1.826  -1.687   0.397  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.211  -0.364   0.143  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.252   0.618   0.005  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.641   1.937  -0.249  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.903   3.187  -0.444  1.00  0.00           C  
HETATM   18  C   UNL     1       0.595   3.352  -0.414  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.775   4.126  -0.649  1.00  0.00           N  
HETATM   20  O   UNL     1      -3.080   3.584  -0.604  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.004   2.259  -0.362  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.960   1.262  -0.221  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.569  -0.042   0.024  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.534  -1.042   0.165  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.956  -0.708   0.054  1.00  0.00           C  
HETATM   26  H   UNL     1      -0.102  -4.519  -2.855  1.00  0.00           H  
HETATM   27  H   UNL     1       0.582  -2.979  -3.430  1.00  0.00           H  
HETATM   28  H   UNL     1       1.626  -4.168  -2.614  1.00  0.00           H  
HETATM   29  H   UNL     1       2.391  -2.216  -2.714  1.00  0.00           H  
HETATM   30  H   UNL     1       3.872  -0.399  -1.964  1.00  0.00           H  
HETATM   31  H   UNL     1       1.575   0.006   1.609  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.370  -2.422   0.074  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.205   0.368   0.093  1.00  0.00           H  
HETATM   34  H   UNL     1       0.997   3.210  -1.417  1.00  0.00           H  
HETATM   35  H   UNL     1       0.843   4.353  -0.062  1.00  0.00           H  
HETATM   36  H   UNL     1       1.028   2.612   0.260  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.009   1.503  -0.311  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.262  -1.957   0.337  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.219   0.022   0.820  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.154  -0.288  -0.932  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.552  -1.610   0.191  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    1    3                                                 
CONECT    3    4    4    2    9                                       
CONECT    4    5    3    3   29                                       
CONECT    5    4    6    6   30                                       
CONECT    6    5    5    7    8                                       
CONECT    7    6                                                      
CONECT    8    6    9    9   31                                       
CONECT    9    3    8    8   10                                       
CONECT   10    9   12   12   13                                       
CONECT   10   11   11                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   14   32                                            
CONECT   14   23   23   13   15                                       
CONECT   15   14   16   16   33                                       
CONECT   16   21   15   15   17                                       
CONECT   17   16   19   19   18                                       
CONECT   18   17   34   35   36                                       
CONECT   19   20   17   17                                            
CONECT   20   21   19                                                 
CONECT   21   22   22   20   16                                       
CONECT   22   23   21   21   37                                       
CONECT   23   24   22   14   14                                       
CONECT   24   25   23   38                                            
CONECT   25   24   39   40   41                                       
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    8                                                      
CONECT   32   13                                                      
CONECT   33   15                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   22                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
