COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.063   1.152  -3.354  1.00  0.00           C  
HETATM    2  C   UNL     1       0.272   1.121  -4.846  1.00  0.00           C  
HETATM    3  N   UNL     1       0.341  -0.114  -2.731  1.00  0.00           N  
HETATM    4  N   UNL     1      -0.498   0.058  -5.503  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.429  -1.177  -3.389  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.094  -1.208  -4.880  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.041   0.007  -6.898  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.093  -0.065  -1.405  1.00  0.00           C  
HETATM    9  C   UNL     1       0.834  -0.174  -0.373  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.450   0.090  -1.130  1.00  0.00           C  
HETATM   11  F   UNL     1      -2.335   0.198  -2.145  1.00  0.00           F  
HETATM   12  C   UNL     1       0.400  -0.111   0.947  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.893   0.134   0.173  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.972   0.028   1.218  1.00  0.00           C  
HETATM   15  O   UNL     1       2.146  -0.336  -0.683  1.00  0.00           O  
HETATM   16  N   UNL     1       1.309  -0.190   1.990  1.00  0.00           N  
HETATM   17  C   UNL     1       0.934  -0.182   3.275  1.00  0.00           C  
HETATM   18  C   UNL     1       2.741  -0.275   1.654  1.00  0.00           C  
HETATM   19  C   UNL     1       2.935   0.364   0.274  1.00  0.00           C  
HETATM   20  C   UNL     1       3.564   0.483   2.697  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.384  -0.062   3.660  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.419   0.060   2.621  1.00  0.00           C  
HETATM   23  O   UNL     1       0.114  -0.159   5.933  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.749  -0.057   5.084  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.042   0.060   5.447  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.597   0.182   2.910  1.00  0.00           O  
HETATM   27  H   UNL     1      -1.136   1.293  -3.226  1.00  0.00           H  
HETATM   28  H   UNL     1       0.469   1.976  -2.880  1.00  0.00           H  
HETATM   29  H   UNL     1       0.019   2.082  -5.294  1.00  0.00           H  
HETATM   30  H   UNL     1       1.337   0.930  -4.975  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.176  -2.138  -2.940  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.494  -0.986  -3.260  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.626  -2.032  -5.355  1.00  0.00           H  
HETATM   34  H   UNL     1       0.979  -1.349  -5.008  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.587  -0.771  -7.431  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.223   0.970  -7.376  1.00  0.00           H  
HETATM   37  H   UNL     1       1.025  -0.214  -6.924  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.945   0.250   0.385  1.00  0.00           H  
HETATM   39  H   UNL     1       1.693  -0.272   4.038  1.00  0.00           H  
HETATM   40  H   UNL     1       3.052  -1.319   1.624  1.00  0.00           H  
HETATM   41  H   UNL     1       2.622   1.407   0.309  1.00  0.00           H  
HETATM   42  H   UNL     1       3.986   0.307  -0.008  1.00  0.00           H  
HETATM   43  H   UNL     1       4.621   0.429   2.434  1.00  0.00           H  
HETATM   44  H   UNL     1       3.248   1.526   2.721  1.00  0.00           H  
HETATM   45  H   UNL     1       3.410   0.033   3.678  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.282   0.064   6.384  1.00  0.00           H  
CONECT    1    2    3   27   28                                       
CONECT    2    1    4   29   30                                       
CONECT    3    1    5    8                                            
CONECT    4    2    6    7                                            
CONECT    5    3    6   31   32                                       
CONECT    6    4    5   33   34                                       
CONECT    7    4   35   36   37                                       
CONECT    8    3    9    9   10                                       
CONECT    9    8    8   12   15                                       
CONECT   10    8   11   13   13                                       
CONECT   11   10                                                      
CONECT   12    9   14   14   16                                       
CONECT   13   10   10   14   38                                       
CONECT   14   12   12   13   22                                       
CONECT   15    9   19                                                 
CONECT   16   12   17   18                                            
CONECT   17   16   21   21   39                                       
CONECT   18   16   19   20   40                                       
CONECT   19   15   18   41   42                                       
CONECT   20   18   43   44   45                                       
CONECT   21   17   17   22   24                                       
CONECT   22   14   21   26   26                                       
CONECT   23   24   24                                                 
CONECT   24   21   23   23   25                                       
CONECT   25   24   46                                                 
CONECT   26   22   22                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38   13                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   25                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
