COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.426   1.752   0.109  1.00  0.00           C  
HETATM    2  N   UNL     1       5.812   0.495   0.021  1.00  0.00           N  
HETATM    3  S   UNL     1      -0.389   2.875   0.110  1.00  0.00           S  
HETATM    4  O   UNL     1      -2.874   2.149  -0.085  1.00  0.00           O  
HETATM    5  F   UNL     1      -7.430  -2.188   0.094  1.00  0.00           F  
HETATM    6  C   UNL     1      -4.012   0.111  -0.035  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.998  -1.131   0.605  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.144  -1.896   0.645  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.309  -1.435   0.052  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.329  -0.203  -0.585  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.189   0.570  -0.630  1.00  0.00           C  
HETATM   12  C   UNL     1       4.350  -2.886  -0.249  1.00  0.00           C  
HETATM   13  C   UNL     1       4.977  -4.097  -0.942  1.00  0.00           C  
HETATM   14  C   UNL     1       3.893  -3.283   1.156  1.00  0.00           C  
HETATM   15  C   UNL     1       3.198   1.164   0.030  1.00  0.00           C  
HETATM   16  N   UNL     1       4.154   2.091   0.117  1.00  0.00           N  
HETATM   17  C   UNL     1       3.564  -0.178  -0.059  1.00  0.00           C  
HETATM   18  N   UNL     1       0.785   0.661  -0.045  1.00  0.00           N  
HETATM   19  C   UNL     1       4.922  -0.491  -0.064  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.577   0.347  -0.104  1.00  0.00           N  
HETATM   21  N   UNL     1       5.339  -1.810  -0.156  1.00  0.00           N  
HETATM   22  C   UNL     1       1.769   1.554   0.040  1.00  0.00           C  
HETATM   23  C   UNL     1       1.373   2.838   0.133  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.427   1.120  -0.027  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.789   0.937  -0.076  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.475  -1.111  -0.215  1.00  0.00           C  
HETATM   27  H   UNL     1       6.175   2.526   0.181  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.090  -1.492   1.066  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.134  -2.856   1.139  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.239   0.151  -1.046  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.205   1.530  -1.126  1.00  0.00           H  
HETATM   32  H   UNL     1       3.491  -2.542  -0.826  1.00  0.00           H  
HETATM   33  H   UNL     1       5.836  -4.442  -0.365  1.00  0.00           H  
HETATM   34  H   UNL     1       4.241  -4.898  -1.011  1.00  0.00           H  
HETATM   35  H   UNL     1       5.302  -3.815  -1.944  1.00  0.00           H  
HETATM   36  H   UNL     1       3.446  -2.420   1.650  1.00  0.00           H  
HETATM   37  H   UNL     1       3.157  -4.083   1.087  1.00  0.00           H  
HETATM   38  H   UNL     1       4.752  -3.627   1.733  1.00  0.00           H  
HETATM   39  H   UNL     1       2.816  -0.954  -0.123  1.00  0.00           H  
HETATM   40  H   UNL     1       6.286  -2.020  -0.159  1.00  0.00           H  
HETATM   41  H   UNL     1       2.023   3.697   0.209  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.463  -1.551   0.782  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.331  -1.494  -0.771  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.555  -1.371  -0.738  1.00  0.00           H  
CONECT    1    2   16   16   27                                       
CONECT    2   19   19    1                                            
CONECT    3   23   24                                                 
CONECT    4   25   25                                                 
CONECT    5    9                                                      
CONECT    6   25   11   11    7                                       
CONECT    7    6    8    8   28                                       
CONECT    8    7    7    9   29                                       
CONECT    9   10   10    8    5                                       
CONECT   10   11    9    9   30                                       
CONECT   11    6    6   10   31                                       
CONECT   12   14   13   21   32                                       
CONECT   13   12   33   34   35                                       
CONECT   14   12   36   37   38                                       
CONECT   15   17   17   16   22                                       
CONECT   16    1    1   15                                            
CONECT   17   19   15   15   39                                       
CONECT   18   22   24   24                                            
CONECT   19   21    2    2   17                                       
CONECT   20   24   25   26                                            
CONECT   21   12   19   40                                            
CONECT   22   15   18   23   23                                       
CONECT   23   22   22    3   41                                       
CONECT   24   18   18    3   20                                       
CONECT   25    4    4   20    6                                       
CONECT   26   20   42   43   44                                       
CONECT   27    1                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   17                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
CONECT   42   26                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
