COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.766  -3.212  -0.076  1.00  0.00           C  
HETATM    2  C   UNL     1       0.553  -1.815  -0.072  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.777  -1.342  -0.129  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.759  -2.234  -0.183  1.00  0.00           N  
HETATM    5  N   UNL     1      -0.296  -4.027  -0.133  1.00  0.00           N  
HETATM    6  F   UNL     1      -1.724   2.584  -0.896  1.00  0.00           F  
HETATM    7  C   UNL     1      -2.691   1.757  -0.442  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.000   2.197  -0.372  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.993   1.347   0.093  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.281   1.780   0.161  1.00  0.00           O  
HETATM   11  C   UNL     1      -7.252   0.852   0.649  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.674   0.056   0.488  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.367  -0.385   0.419  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.373   0.461  -0.051  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.047   0.012  -0.127  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.512  -3.532  -0.185  1.00  0.00           C  
HETATM   17  C   UNL     1       2.081  -3.708  -0.026  1.00  0.00           C  
HETATM   18  C   UNL     1       3.132  -2.862   0.031  1.00  0.00           C  
HETATM   19  C   UNL     1       2.953  -1.450   0.042  1.00  0.00           C  
HETATM   20  N   UNL     1       3.887  -0.498   0.094  1.00  0.00           N  
HETATM   21  C   UNL     1       1.655  -0.937  -0.012  1.00  0.00           C  
HETATM   22  S   UNL     1       1.750   0.822   0.017  1.00  0.00           S  
HETATM   23  C   UNL     1       3.505   0.734   0.088  1.00  0.00           C  
HETATM   24  C   UNL     1       4.409   1.901   0.141  1.00  0.00           C  
HETATM   25  N   UNL     1       3.918   3.105   0.130  1.00  0.00           N  
HETATM   26  O   UNL     1       5.748   1.717   0.200  1.00  0.00           O  
HETATM   27  C   UNL     1       6.563   2.890   0.249  1.00  0.00           C  
HETATM   28  H   UNL     1      -4.250   3.202  -0.679  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.272  -0.026   0.004  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.990   0.552   1.664  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.235   1.324   0.653  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.448  -0.604   0.850  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.120  -1.390   0.727  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.320   0.652  -0.178  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.346  -4.217  -0.230  1.00  0.00           H  
HETATM   36  H   UNL     1       2.252  -4.775  -0.032  1.00  0.00           H  
HETATM   37  H   UNL     1       4.133  -3.266   0.069  1.00  0.00           H  
HETATM   38  H   UNL     1       2.958   3.237   0.088  1.00  0.00           H  
HETATM   39  H   UNL     1       7.613   2.601   0.294  1.00  0.00           H  
HETATM   40  H   UNL     1       6.389   3.490  -0.645  1.00  0.00           H  
HETATM   41  H   UNL     1       6.308   3.473   1.133  1.00  0.00           H  
CONECT    1    2    2   17    5                                       
CONECT    2   21    3    1    1                                       
CONECT    3   15    2    4    4                                       
CONECT    4    3    3   16                                            
CONECT    5    1   16   16                                            
CONECT    6    7                                                      
CONECT    7    6   14   14    8                                       
CONECT    8    7    9    9   28                                       
CONECT    9    8    8   12   10                                       
CONECT   10    9   11                                                 
CONECT   11   10   29   30   31                                       
CONECT   12   13   13    9   32                                       
CONECT   13   14   12   12   33                                       
CONECT   14   15    7    7   13                                       
CONECT   15    3   14   34                                            
CONECT   16    4    5    5   35                                       
CONECT   17   18   18    1   36                                       
CONECT   18   19   17   17   37                                       
CONECT   19   20   21   21   18                                       
CONECT   20   23   23   19                                            
CONECT   21   22   19   19    2                                       
CONECT   22   23   21                                                 
CONECT   23   24   20   20   22                                       
CONECT   24   25   25   26   23                                       
CONECT   25   24   24   38                                            
CONECT   26   27   24                                                 
CONECT   27   26   39   40   41                                       
CONECT   28    8                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   25                                                      
CONECT   39   27                                                      
CONECT   40   27                                                      
CONECT   41   27                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
