COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.789   3.636  -0.705  1.00  0.00           C  
HETATM    2  C   UNL     1       5.695   1.321  -1.210  1.00  0.00           C  
HETATM    3  C   UNL     1       3.505   0.165   0.147  1.00  0.00           C  
HETATM    4  C   UNL     1       4.613  -0.681   0.220  1.00  0.00           C  
HETATM    5  C   UNL     1       4.439  -2.050   0.232  1.00  0.00           C  
HETATM    6  C   UNL     1       2.055  -1.757   0.098  1.00  0.00           C  
HETATM    7  C   UNL     1       2.222  -0.376   0.086  1.00  0.00           C  
HETATM    8  C   UNL     1       0.692  -2.341   0.032  1.00  0.00           C  
HETATM    9  C   UNL     1       0.526  -3.718   0.148  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.751  -4.253   0.085  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.821  -3.392  -0.092  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.586  -2.026  -0.202  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.662  -1.151  -0.375  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.925   0.647  -0.366  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.399   2.026  -0.164  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.684   0.148  -0.024  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.561   0.917   0.623  1.00  0.00           C  
HETATM   18  N   UNL     1       4.696   2.181  -0.571  1.00  0.00           N  
HETATM   19  C   UNL     1       3.691   1.632   0.140  1.00  0.00           C  
HETATM   20  O   UNL     1       2.938   2.343   0.776  1.00  0.00           O  
HETATM   21  C   UNL     1       3.169  -2.591   0.171  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.357  -1.545  -0.132  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.897  -1.476  -0.947  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.656  -0.416  -0.946  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.669   2.851   0.349  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.643   2.375  -0.549  1.00  0.00           O  
HETATM   27  F   UNL     1      -0.752   1.484  -0.368  1.00  0.00           F  
HETATM   28  F   UNL     1      -2.092   1.930   1.428  1.00  0.00           F  
HETATM   29  F   UNL     1      -0.795   0.050   1.410  1.00  0.00           F  
HETATM   30  H   UNL     1       4.234   3.956  -1.587  1.00  0.00           H  
HETATM   31  H   UNL     1       4.368   4.111   0.181  1.00  0.00           H  
HETATM   32  H   UNL     1       5.835   3.925  -0.809  1.00  0.00           H  
HETATM   33  H   UNL     1       6.157   1.855  -2.040  1.00  0.00           H  
HETATM   34  H   UNL     1       6.460   1.050  -0.482  1.00  0.00           H  
HETATM   35  H   UNL     1       5.213   0.417  -1.583  1.00  0.00           H  
HETATM   36  H   UNL     1       5.608  -0.264   0.268  1.00  0.00           H  
HETATM   37  H   UNL     1       5.299  -2.701   0.289  1.00  0.00           H  
HETATM   38  H   UNL     1       1.361   0.274   0.029  1.00  0.00           H  
HETATM   39  H   UNL     1       1.382  -4.362   0.286  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.908  -5.318   0.173  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.829  -3.778  -0.146  1.00  0.00           H  
HETATM   42  H   UNL     1       3.040  -3.664   0.180  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.668  -0.360  -1.321  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.909   3.292  -0.396  1.00  0.00           H  
CONECT    1   18   30   31   32                                       
CONECT    2   18   33   34   35                                       
CONECT    3   19    7    7    4                                       
CONECT    4    3    5    5   36                                       
CONECT    5    4    4   21   37                                       
CONECT    6    7    8   21   21                                       
CONECT    7    3    3    6   38                                       
CONECT    8   22    6    9    9                                       
CONECT    9    8    8   10   39                                       
CONECT   10   11   11    9   40                                       
CONECT   11   12   10   10   41                                       
CONECT   12   13   22   22   11                                       
CONECT   13   16   23   12                                            
CONECT   14   15   24   16   16                                       
CONECT   15   25   25   26   14                                       
CONECT   16   14   14   17   13                                       
CONECT   17   29   16   28   27                                       
CONECT   18    1    2   19                                            
CONECT   19   18   20   20    3                                       
CONECT   20   19   19                                                 
CONECT   21    6    6    5   42                                       
CONECT   22   12   12    8                                            
CONECT   23   24   24   13                                            
CONECT   24   14   23   23   43                                       
CONECT   25   15   15                                                 
CONECT   26   15   44                                                 
CONECT   27   17                                                      
CONECT   28   17                                                      
CONECT   29   17                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   21                                                      
CONECT   43   24                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
