COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.266   0.465  -0.427  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.269  -0.846   0.484  1.00  0.00           N  
HETATM    3  C   UNL     1       4.488  -0.484  -0.425  1.00  0.00           C  
HETATM    4  C   UNL     1       3.639   0.584  -0.170  1.00  0.00           C  
HETATM    5  C   UNL     1       1.649  -0.721  -0.256  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.497   0.388  -0.651  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.597   0.459   0.415  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.397   0.264   0.075  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.536   0.625   0.744  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.358  -2.119  -0.340  1.00  0.00           C  
HETATM   11  C   UNL     1       4.150   1.770   0.339  1.00  0.00           C  
HETATM   12  C   UNL     1       8.497  -0.203   0.298  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.411   2.391  -0.709  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.078   1.807   0.292  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.459  -2.048   0.726  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.980  -2.450  -1.699  1.00  0.00           C  
HETATM   17  C   UNL     1       5.503   1.887   0.591  1.00  0.00           C  
HETATM   18  C   UNL     1       6.351   0.820   0.336  1.00  0.00           C  
HETATM   19  C   UNL     1       5.841  -0.366  -0.173  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.605  -0.939   0.335  1.00  0.00           C  
HETATM   21  F   UNL     1      -6.072  -0.104   1.747  1.00  0.00           F  
HETATM   22  N   UNL     1       0.313  -0.814  -0.410  1.00  0.00           N  
HETATM   23  O   UNL     1       7.683   0.936   0.584  1.00  0.00           O  
HETATM   24  O   UNL     1       2.297  -1.707   0.038  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.153  -2.023   0.417  1.00  0.00           O  
HETATM   26  S   UNL     1      -4.044   1.472  -1.153  1.00  0.00           S  
HETATM   27  H   UNL     1       1.760   1.237  -0.724  1.00  0.00           H  
HETATM   28  H   UNL     1       4.091  -1.409  -0.817  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.950   0.331  -1.641  1.00  0.00           H  
HETATM   30  H   UNL     1       0.135   1.274  -0.589  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.320   1.229   0.144  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.154   0.695   1.383  1.00  0.00           H  
HETATM   33  H   UNL     1       0.363  -2.891  -0.071  1.00  0.00           H  
HETATM   34  H   UNL     1       3.490   2.602   0.537  1.00  0.00           H  
HETATM   35  H   UNL     1       8.161  -1.050   0.896  1.00  0.00           H  
HETATM   36  H   UNL     1       8.417  -0.450  -0.761  1.00  0.00           H  
HETATM   37  H   UNL     1       9.536   0.023   0.541  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.702   3.319  -1.179  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.975   2.234   0.717  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.006  -1.991   1.715  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.090  -2.934   0.660  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.701  -1.677  -1.966  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.197  -2.494  -2.456  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.485  -3.414  -1.642  1.00  0.00           H  
HETATM   45  H   UNL     1       5.900   2.810   0.987  1.00  0.00           H  
HETATM   46  H   UNL     1       6.501  -1.198  -0.367  1.00  0.00           H  
CONECT    1    5    4   27                                            
CONECT    2   20    7   15                                            
CONECT    3    4   19   19   28                                       
CONECT    4    1   11   11    3                                       
CONECT    5   22    1   24   24                                       
CONECT    6    7   22   29   30                                       
CONECT    7    2    6   31   32                                       
CONECT    8   26    9    9   20                                       
CONECT    9   14    8    8   21                                       
CONECT   10   15   22   16   33                                       
CONECT   11    4    4   17   34                                       
CONECT   12   23   35   36   37                                       
CONECT   13   26   14   14   38                                       
CONECT   14   13   13    9   39                                       
CONECT   15    2   10   40   41                                       
CONECT   16   10   42   43   44                                       
CONECT   17   11   18   18   45                                       
CONECT   18   17   17   19   23                                       
CONECT   19    3    3   18   46                                       
CONECT   20    8   25   25    2                                       
CONECT   21    9                                                      
CONECT   22    6   10    5                                            
CONECT   23   18   12                                                 
CONECT   24    5    5                                                 
CONECT   25   20   20                                                 
CONECT   26   13    8                                                 
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
