COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.231   0.429  -0.391  1.00  0.00           N  
HETATM    2  N   UNL     1      -7.596   0.775   0.711  1.00  0.00           N  
HETATM    3  C   UNL     1       1.911   0.100  -1.208  1.00  0.00           C  
HETATM    4  C   UNL     1       4.334   0.550   0.903  1.00  0.00           C  
HETATM    5  C   UNL     1       5.188  -0.156   0.067  1.00  0.00           C  
HETATM    6  C   UNL     1       5.944  -1.196   0.572  1.00  0.00           C  
HETATM    7  C   UNL     1       5.853  -1.535   1.909  1.00  0.00           C  
HETATM    8  C   UNL     1       4.248   0.212   2.250  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.694  -0.783  -0.634  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.307   1.669  -0.559  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.656  -1.074   1.485  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.391  -1.778  -0.584  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.601   0.548  -0.126  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.268  -0.448   0.570  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.637  -0.280   0.808  1.00  0.00           C  
HETATM   16  N   UNL     1      -7.783  -0.426   1.401  1.00  0.00           N  
HETATM   17  C   UNL     1      -6.282   0.881   0.338  1.00  0.00           C  
HETATM   18  N   UNL     1      -5.594   1.803  -0.323  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.257  -0.903  -0.960  1.00  0.00           C  
HETATM   20  C   UNL     1       0.277  -2.139  -1.329  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.610  -3.356  -1.395  1.00  0.00           C  
HETATM   22  C   UNL     1       0.571   0.219  -0.902  1.00  0.00           C  
HETATM   23  C   UNL     1       2.434  -1.128  -1.573  1.00  0.00           C  
HETATM   24  C   UNL     1       1.619  -2.244  -1.632  1.00  0.00           C  
HETATM   25  S   UNL     1       2.957   1.516  -1.142  1.00  0.00           S  
HETATM   26  O   UNL     1       4.059   1.242  -1.996  1.00  0.00           O  
HETATM   27  O   UNL     1       2.112   2.647  -1.302  1.00  0.00           O  
HETATM   28  N   UNL     1       3.568   1.604   0.395  1.00  0.00           N  
HETATM   29  F   UNL     1       3.423   0.900   3.069  1.00  0.00           F  
HETATM   30  C   UNL     1       5.004  -0.834   2.747  1.00  0.00           C  
HETATM   31  H   UNL     1      -1.668   1.219  -0.397  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.288   1.428   0.521  1.00  0.00           H  
HETATM   33  H   UNL     1       5.260   0.107  -0.978  1.00  0.00           H  
HETATM   34  H   UNL     1       6.607  -1.746  -0.079  1.00  0.00           H  
HETATM   35  H   UNL     1       6.445  -2.348   2.301  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.786   2.444  -1.101  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.505  -2.030   1.964  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.747  -1.328   0.917  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.706  -3.789  -0.400  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.594  -3.068  -1.763  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.170  -4.090  -2.070  1.00  0.00           H  
HETATM   42  H   UNL     1       0.164   1.178  -0.617  1.00  0.00           H  
HETATM   43  H   UNL     1       3.484  -1.215  -1.811  1.00  0.00           H  
HETATM   44  H   UNL     1       2.033  -3.200  -1.917  1.00  0.00           H  
HETATM   45  H   UNL     1       3.394   2.385   0.942  1.00  0.00           H  
HETATM   46  H   UNL     1       4.934  -1.101   3.791  1.00  0.00           H  
CONECT    1    9   13   31                                            
CONECT    2   17   16   32                                            
CONECT    3   23   23   25   22                                       
CONECT    4   28    5    5    8                                       
CONECT    5    4    4    6   33                                       
CONECT    6    5    7    7   34                                       
CONECT    7    6    6   30   35                                       
CONECT    8   30   30    4   29                                       
CONECT    9   19   12   12    1                                       
CONECT   10   13   13   18   36                                       
CONECT   11   16   16   15   37                                       
CONECT   12    9    9                                                 
CONECT   13    1   10   10   14                                       
CONECT   14   15   15   13   38                                       
CONECT   15   11   17   14   14                                       
CONECT   16    2   11   11                                            
CONECT   17   18   18    2   15                                       
CONECT   18   10   17   17                                            
CONECT   19   22   22   20    9                                       
CONECT   20   21   24   24   19                                       
CONECT   21   20   39   40   41                                       
CONECT   22    3   19   19   42                                       
CONECT   23   24    3    3   43                                       
CONECT   24   20   20   23   44                                       
CONECT   25    3   26   26   27                                       
CONECT   25   27   28                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25    4   45                                            
CONECT   29    8                                                      
CONECT   30    7    8    8   46                                       
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   28                                                      
CONECT   46   30                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
