COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.061   0.560   1.996  1.00  0.00           C  
HETATM    2  C   UNL     1       4.629   1.380   0.808  1.00  0.00           C  
HETATM    3  C   UNL     1       5.204   2.615   0.575  1.00  0.00           C  
HETATM    4  C   UNL     1       4.808   3.368  -0.515  1.00  0.00           C  
HETATM    5  C   UNL     1       3.837   2.884  -1.372  1.00  0.00           C  
HETATM    6  C   UNL     1       3.263   1.649  -1.140  1.00  0.00           C  
HETATM    7  C   UNL     1       3.662   0.894  -0.052  1.00  0.00           C  
HETATM    8  C   UNL     1       3.040  -0.455   0.198  1.00  0.00           C  
HETATM    9  C   UNL     1       3.894  -1.541  -0.461  1.00  0.00           C  
HETATM   10  C   UNL     1       3.345  -2.898  -0.103  1.00  0.00           C  
HETATM   11  O   UNL     1       2.436  -2.993   0.688  1.00  0.00           O  
HETATM   12  O   UNL     1       3.866  -4.001  -0.663  1.00  0.00           O  
HETATM   13  N   UNL     1       1.690  -0.484  -0.371  1.00  0.00           N  
HETATM   14  C   UNL     1       0.650  -0.002   0.338  1.00  0.00           C  
HETATM   15  O   UNL     1       0.843   0.534   1.411  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.729  -0.126  -0.191  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.873   0.321   0.430  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.077  -0.695  -1.372  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.535  -0.597  -1.487  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.216  -0.999  -2.412  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.978   0.025  -0.376  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.313   0.324  -0.080  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.078   1.056  -0.978  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.395   1.349  -0.683  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.953   0.915   0.505  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.196   0.186   1.403  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.878  -0.116   1.113  1.00  0.00           C  
HETATM   28  F   UNL     1      -4.140  -0.833   1.987  1.00  0.00           F  
HETATM   29  H   UNL     1       4.438   0.808   2.855  1.00  0.00           H  
HETATM   30  H   UNL     1       4.954  -0.500   1.764  1.00  0.00           H  
HETATM   31  H   UNL     1       6.103   0.778   2.229  1.00  0.00           H  
HETATM   32  H   UNL     1       5.962   2.993   1.245  1.00  0.00           H  
HETATM   33  H   UNL     1       5.257   4.333  -0.696  1.00  0.00           H  
HETATM   34  H   UNL     1       3.527   3.473  -2.223  1.00  0.00           H  
HETATM   35  H   UNL     1       2.505   1.271  -1.810  1.00  0.00           H  
HETATM   36  H   UNL     1       2.986  -0.637   1.271  1.00  0.00           H  
HETATM   37  H   UNL     1       3.872  -1.413  -1.543  1.00  0.00           H  
HETATM   38  H   UNL     1       4.922  -1.459  -0.107  1.00  0.00           H  
HETATM   39  H   UNL     1       1.545  -0.849  -1.257  1.00  0.00           H  
HETATM   40  H   UNL     1       3.480  -4.849  -0.403  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.907   0.770   1.289  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.405  -1.136  -2.093  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.643   1.395  -1.907  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.990   1.918  -1.383  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.983   1.147   0.733  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.635  -0.150   2.331  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4   32                                       
CONECT    4    3    3    5   33                                       
CONECT    5    4    6    6   34                                       
CONECT    6    5    5    7   35                                       
CONECT    7    2    2    6    8                                       
CONECT    8    7    9   13   36                                       
CONECT    9    8   10   37   38                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   40                                                 
CONECT   13    8   14   39                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   18   18                                       
CONECT   17   16   21   41                                            
CONECT   18   16   16   19   42                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   17   19   22                                            
CONECT   22   21   23   27   27                                       
CONECT   23   22   24   24   43                                       
CONECT   24   23   23   25   44                                       
CONECT   25   24   26   26   45                                       
CONECT   26   25   25   27   46                                       
CONECT   27   22   22   26   28                                       
CONECT   28   27                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   13                                                      
CONECT   40   12                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
