COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.148  -2.334   1.903  1.00  0.00           C  
HETATM    2  N   UNL     1       4.022  -2.072   1.003  1.00  0.00           N  
HETATM    3  C   UNL     1       3.480  -0.818   0.959  1.00  0.00           C  
HETATM    4  N   UNL     1       3.958   0.173   1.724  1.00  0.00           N  
HETATM    5  C   UNL     1       3.441   1.370   1.683  1.00  0.00           C  
HETATM    6  N   UNL     1       2.401   1.686   0.876  1.00  0.00           N  
HETATM    7  C   UNL     1       1.866   3.050   0.877  1.00  0.00           C  
HETATM    8  C   UNL     1       2.603   3.887  -0.171  1.00  0.00           C  
HETATM    9  O   UNL     1       2.323   3.372  -1.474  1.00  0.00           O  
HETATM   10  C   UNL     1       2.133   5.341  -0.085  1.00  0.00           C  
HETATM   11  O   UNL     1       2.902   6.144  -0.982  1.00  0.00           O  
HETATM   12  C   UNL     1       1.853   0.749   0.069  1.00  0.00           C  
HETATM   13  O   UNL     1       0.917   1.019  -0.662  1.00  0.00           O  
HETATM   14  C   UNL     1       2.402  -0.557   0.101  1.00  0.00           C  
HETATM   15  C   UNL     1       1.877  -1.634  -0.735  1.00  0.00           C  
HETATM   16  N   UNL     1       0.816  -1.416  -1.595  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.445  -1.093  -1.082  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.666  -1.119   0.288  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.912  -0.799   0.792  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.940  -0.454  -0.067  1.00  0.00           C  
HETATM   21  I   UNL     1      -4.827   0.030   0.704  1.00  0.00           I  
HETATM   22  C   UNL     1      -2.725  -0.427  -1.433  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.479  -0.740  -1.944  1.00  0.00           C  
HETATM   24  F   UNL     1      -1.267  -0.709  -3.278  1.00  0.00           F  
HETATM   25  C   UNL     1       2.475  -2.881  -0.641  1.00  0.00           C  
HETATM   26  F   UNL     1       2.025  -3.908  -1.394  1.00  0.00           F  
HETATM   27  C   UNL     1       3.550  -3.068   0.234  1.00  0.00           C  
HETATM   28  O   UNL     1       4.072  -4.170   0.306  1.00  0.00           O  
HETATM   29  H   UNL     1       4.770  -2.658   2.872  1.00  0.00           H  
HETATM   30  H   UNL     1       5.778  -3.116   1.479  1.00  0.00           H  
HETATM   31  H   UNL     1       5.734  -1.423   2.026  1.00  0.00           H  
HETATM   32  H   UNL     1       3.859   2.138   2.317  1.00  0.00           H  
HETATM   33  H   UNL     1       0.803   3.024   0.639  1.00  0.00           H  
HETATM   34  H   UNL     1       2.007   3.495   1.862  1.00  0.00           H  
HETATM   35  H   UNL     1       3.676   3.841   0.016  1.00  0.00           H  
HETATM   36  H   UNL     1       1.385   3.383  -1.709  1.00  0.00           H  
HETATM   37  H   UNL     1       1.079   5.399  -0.359  1.00  0.00           H  
HETATM   38  H   UNL     1       2.264   5.706   0.934  1.00  0.00           H  
HETATM   39  H   UNL     1       2.658   7.080  -0.980  1.00  0.00           H  
HETATM   40  H   UNL     1       0.946  -1.487  -2.554  1.00  0.00           H  
HETATM   41  H   UNL     1       0.135  -1.389   0.960  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.084  -0.820   1.858  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.529  -0.157  -2.101  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    1    3   27                                            
CONECT    3    2    4   14   14                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4    6   32                                       
CONECT    6    5    7   12                                            
CONECT    7    6    8   33   34                                       
CONECT    8    7   10    9   35                                       
CONECT    9    8   36                                                 
CONECT   10    8   11   37   38                                       
CONECT   11   10   39                                                 
CONECT   12    6   14   13   13                                       
CONECT   13   12   12                                                 
CONECT   14    3    3   12   15                                       
CONECT   15   14   25   25   16                                       
CONECT   16   15   17   40                                            
CONECT   17   16   18   18   23                                       
CONECT   18   17   17   19   41                                       
CONECT   19   18   20   20   42                                       
CONECT   20   19   19   21   22                                       
CONECT   21   20                                                      
CONECT   22   20   23   23   43                                       
CONECT   23   17   22   22   24                                       
CONECT   24   23                                                      
CONECT   25   15   15   27   26                                       
CONECT   26   25                                                      
CONECT   27    2   25   28   28                                       
CONECT   28   27   27                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   22                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
