COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.805   1.622   0.512  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.092   0.740  -3.501  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.156   1.549  -3.148  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.395   1.843  -1.818  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.566   1.326  -0.834  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.167   0.233   0.775  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.468  -1.192  -0.643  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.137  -0.754   1.742  1.00  0.00           C  
HETATM    9  C   UNL     1       4.209   0.226   1.738  1.00  0.00           C  
HETATM   10  C   UNL     1       6.254   1.054   0.825  1.00  0.00           C  
HETATM   11  F   UNL     1      -5.052  -3.364   0.102  1.00  0.00           F  
HETATM   12  C   UNL     1      -4.434  -2.183   0.323  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.833   0.015  -0.416  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.770  -1.961   1.518  1.00  0.00           C  
HETATM   15  S   UNL     1      -2.360   1.773   1.063  1.00  0.00           S  
HETATM   16  O   UNL     1      -2.273   1.923   2.473  1.00  0.00           O  
HETATM   17  O   UNL     1      -2.994   2.723   0.218  1.00  0.00           O  
HETATM   18  C   UNL     1       0.736   0.215  -2.526  1.00  0.00           C  
HETATM   19  C   UNL     1       0.508   0.509  -1.190  1.00  0.00           C  
HETATM   20  N   UNL     1       1.346  -0.021  -0.200  1.00  0.00           N  
HETATM   21  C   UNL     1       2.029  -1.159  -0.435  1.00  0.00           C  
HETATM   22  O   UNL     1       1.842  -1.778  -1.461  1.00  0.00           O  
HETATM   23  C   UNL     1       3.026  -1.662   0.578  1.00  0.00           C  
HETATM   24  O   UNL     1       3.529  -2.932   0.160  1.00  0.00           O  
HETATM   25  C   UNL     1       4.165  -0.682   0.691  1.00  0.00           C  
HETATM   26  C   UNL     1       5.179  -0.677  -0.248  1.00  0.00           C  
HETATM   27  N   UNL     1       6.180   0.177  -0.156  1.00  0.00           N  
HETATM   28  C   UNL     1       5.273   1.112   1.798  1.00  0.00           C  
HETATM   29  H   UNL     1      -0.061   1.736   1.123  1.00  0.00           H  
HETATM   30  H   UNL     1       0.091   0.514  -4.541  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.802   1.953  -3.913  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.226   2.476  -1.546  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.989  -1.362  -1.573  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.619  -0.581   2.674  1.00  0.00           H  
HETATM   35  H   UNL     1       3.431   0.245   2.486  1.00  0.00           H  
HETATM   36  H   UNL     1       7.087   1.741   0.865  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.859   0.788  -1.170  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.743  -2.734   2.272  1.00  0.00           H  
HETATM   39  H   UNL     1       1.566  -0.416  -2.805  1.00  0.00           H  
HETATM   40  H   UNL     1       1.434   0.430   0.654  1.00  0.00           H  
HETATM   41  H   UNL     1       2.538  -1.765   1.547  1.00  0.00           H  
HETATM   42  H   UNL     1       3.977  -2.916  -0.697  1.00  0.00           H  
HETATM   43  H   UNL     1       5.152  -1.381  -1.067  1.00  0.00           H  
HETATM   44  H   UNL     1       5.340   1.833   2.599  1.00  0.00           H  
CONECT    1    5   15   29                                            
CONECT    2   18    3    3   30                                       
CONECT    3    2    2    4   31                                       
CONECT    4    5    5    3   32                                       
CONECT    5   19    1    4    4                                       
CONECT    6    8    8   13   15                                       
CONECT    7   12   13   13   33                                       
CONECT    8   14    6    6   34                                       
CONECT    9   28   28   25   35                                       
CONECT   10   27   27   28   36                                       
CONECT   11   12                                                      
CONECT   12   11   14   14    7                                       
CONECT   13    7    7    6   37                                       
CONECT   14   12   12    8   38                                       
CONECT   15    6    1   17   17                                       
CONECT   15   16   16                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   19   19    2   39                                       
CONECT   19   20   18   18    5                                       
CONECT   20   21   19   40                                            
CONECT   21   22   22   23   20                                       
CONECT   22   21   21                                                 
CONECT   23   25   21   24   41                                       
CONECT   24   23   42                                                 
CONECT   25   26   26    9   23                                       
CONECT   26   27   25   25   43                                       
CONECT   27   10   10   26                                            
CONECT   28   10    9    9   44                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   18                                                      
CONECT   40   20                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   26                                                      
CONECT   44   28                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
