COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.782   1.898  -0.182  1.00  0.00           C  
HETATM    2  C   UNL     1       3.451   1.195  -0.119  1.00  0.00           C  
HETATM    3  N   UNL     1       3.425  -0.101  -0.015  1.00  0.00           N  
HETATM    4  N   UNL     1       2.312   1.932  -0.166  1.00  0.00           N  
HETATM    5  C   UNL     1       1.108   1.329  -0.112  1.00  0.00           C  
HETATM    6  O   UNL     1       0.082   1.985  -0.154  1.00  0.00           O  
HETATM    7  C   UNL     1       1.058  -0.094  -0.003  1.00  0.00           C  
HETATM    8  C   UNL     1       2.262  -0.785   0.046  1.00  0.00           C  
HETATM    9  S   UNL     1       1.956  -2.511   0.186  1.00  0.00           S  
HETATM   10  C   UNL     1       0.219  -2.277   0.176  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.092  -0.985   0.073  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.491  -0.495   0.046  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.414  -1.064  -0.831  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.715  -0.604  -0.852  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.104   0.420  -0.005  1.00  0.00           C  
HETATM   16  F   UNL     1      -5.379   0.867  -0.029  1.00  0.00           F  
HETATM   17  C   UNL     1      -3.190   0.988   0.868  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.889   0.531   0.901  1.00  0.00           C  
HETATM   19  H   UNL     1       5.111   2.146   0.828  1.00  0.00           H  
HETATM   20  H   UNL     1       5.517   1.245  -0.653  1.00  0.00           H  
HETATM   21  H   UNL     1       4.682   2.813  -0.766  1.00  0.00           H  
HETATM   22  H   UNL     1       2.365   2.898  -0.240  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.505  -3.075   0.244  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.111  -1.862  -1.492  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.431  -1.044  -1.531  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.499   1.787   1.527  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.179   0.971   1.585  1.00  0.00           H  
CONECT    1    2   19   20   21                                       
CONECT    2    3    3    1    4                                       
CONECT    3    8    2    2                                            
CONECT    4    2    5   22                                            
CONECT    5    7    4    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    8    8   11    5                                       
CONECT    8    9    3    7    7                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   11   23                                       
CONECT   11   10   10    7   12                                       
CONECT   12   11   18   18   13                                       
CONECT   13   12   14   14   24                                       
CONECT   14   13   13   15   25                                       
CONECT   15   17   17   14   16                                       
CONECT   16   15                                                      
CONECT   17   18   15   15   26                                       
CONECT   18   12   12   17   27                                       
CONECT   19    1                                                      
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    4                                                      
CONECT   23   10                                                      
CONECT   24   13                                                      
CONECT   25   14                                                      
CONECT   26   17                                                      
CONECT   27   18                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
