COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.587   0.830  -0.322  1.00  0.00           C  
HETATM    2  C   UNL     1       1.485   0.861   0.523  1.00  0.00           C  
HETATM    3  N   UNL     1       1.350   2.119   0.952  1.00  0.00           N  
HETATM    4  C   UNL     1       2.290   2.867   0.433  1.00  0.00           C  
HETATM    5  N   UNL     1       3.080   2.118  -0.361  1.00  0.00           N  
HETATM    6  N   UNL     1       2.230  -1.500  -0.669  1.00  0.00           N  
HETATM    7  C   UNL     1       1.172  -1.457   0.159  1.00  0.00           C  
HETATM    8  N   UNL     1       0.783  -0.312   0.751  1.00  0.00           N  
HETATM    9  C   UNL     1       2.957  -0.392  -0.926  1.00  0.00           C  
HETATM   10  O   UNL     1       3.919  -0.445  -1.670  1.00  0.00           O  
HETATM   11  S   UNL     1       0.283  -2.891   0.452  1.00  0.00           S  
HETATM   12  C   UNL     1      -0.383  -0.306   1.638  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.624  -0.016   0.834  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.343  -1.056   0.275  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.482  -0.791  -0.463  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.902   0.516  -0.641  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.181   1.556  -0.081  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.046   1.289   0.660  1.00  0.00           C  
HETATM   19  F   UNL     1      -5.015   0.776  -1.362  1.00  0.00           F  
HETATM   20  H   UNL     1       3.850   2.427  -0.865  1.00  0.00           H  
HETATM   21  H   UNL     1       2.413   3.924   0.614  1.00  0.00           H  
HETATM   22  H   UNL     1       2.483  -2.342  -1.078  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.480  -1.281   2.117  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.256   0.463   2.400  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.015  -2.076   0.414  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.485   2.100   1.101  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.044  -1.604  -0.900  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.508   2.576  -0.219  1.00  0.00           H  
CONECT    1    2    2    5    9                                       
CONECT    2    1    1    3    8                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   21                                       
CONECT    5    1    4   20                                            
CONECT    6    7    9   22                                            
CONECT    7    6    8   11   11                                       
CONECT    8    2    7   12                                            
CONECT    9    1    6   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    7    7                                                 
CONECT   12    8   13   23   24                                       
CONECT   13   12   14   18   18                                       
CONECT   14   13   15   15   25                                       
CONECT   15   14   14   16   27                                       
CONECT   16   15   17   17   19                                       
CONECT   17   16   16   18   28                                       
CONECT   18   13   13   17   26                                       
CONECT   19   16                                                      
CONECT   20    5                                                      
CONECT   21    4                                                      
CONECT   22    6                                                      
CONECT   23   12                                                      
CONECT   24   12                                                      
CONECT   25   14                                                      
CONECT   26   18                                                      
CONECT   27   15                                                      
CONECT   28   17                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
