COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.166   1.811   1.318  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.314   1.702   0.175  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.104   0.832   0.521  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.584  -0.540   1.002  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.455  -1.347   1.342  1.00  0.00           O  
HETATM    6  C   UNL     1      -3.378  -1.218  -0.118  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.780  -2.523   0.304  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.494  -1.333  -1.363  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.363  -2.157  -1.071  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.017   0.062  -1.775  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.262   0.668  -0.670  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.672   1.950  -1.078  1.00  0.00           C  
HETATM   13  H   UNL     1      -4.955   2.350   1.170  1.00  0.00           H  
HETATM   14  H   UNL     1      -3.866   1.247  -0.647  1.00  0.00           H  
HETATM   15  H   UNL     1      -1.526   1.311   1.311  1.00  0.00           H  
HETATM   16  H   UNL     1      -3.221  -0.417   1.877  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.685  -2.233   1.656  1.00  0.00           H  
HETATM   18  H   UNL     1      -4.260  -0.622  -0.352  1.00  0.00           H  
HETATM   19  C   UNL     1       0.475   2.307  -0.131  1.00  0.00           C  
HETATM   20  O   UNL     1       1.516   1.335  -0.254  1.00  0.00           O  
HETATM   21  C   UNL     1       2.641   1.577   0.593  1.00  0.00           C  
HETATM   22  C   UNL     1       3.671   0.497   0.381  1.00  0.00           C  
HETATM   23  C   UNL     1       4.652   0.657  -0.580  1.00  0.00           C  
HETATM   24  C   UNL     1       5.596  -0.333  -0.774  1.00  0.00           C  
HETATM   25  C   UNL     1       5.560  -1.483  -0.008  1.00  0.00           C  
HETATM   26  C   UNL     1       4.579  -1.643   0.953  1.00  0.00           C  
HETATM   27  C   UNL     1       3.637  -0.650   1.150  1.00  0.00           C  
HETATM   28  H   UNL     1      -2.975   2.695  -0.121  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.288  -3.011  -0.357  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.067  -1.777  -2.177  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.758  -2.273  -1.816  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.376  -0.018  -2.652  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.879   0.685  -2.010  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.290   1.867  -2.096  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.432   2.730  -1.038  1.00  0.00           H  
HETATM   36  H   UNL     1       0.866   3.292  -0.387  1.00  0.00           H  
HETATM   37  H   UNL     1       0.109   2.318   0.896  1.00  0.00           H  
HETATM   38  H   UNL     1       3.076   2.547   0.351  1.00  0.00           H  
HETATM   39  H   UNL     1       2.319   1.573   1.634  1.00  0.00           H  
HETATM   40  H   UNL     1       4.681   1.556  -1.178  1.00  0.00           H  
HETATM   41  H   UNL     1       6.363  -0.208  -1.525  1.00  0.00           H  
HETATM   42  H   UNL     1       6.298  -2.257  -0.161  1.00  0.00           H  
HETATM   43  H   UNL     1       4.550  -2.541   1.551  1.00  0.00           H  
HETATM   44  H   UNL     1       2.871  -0.775   1.901  1.00  0.00           H  
CONECT    1    2   13                                                 
CONECT    2    1    3   14   28                                       
CONECT    3    2    4   11   15                                       
CONECT    4    5    3    6   16                                       
CONECT    5    4   17                                                 
CONECT    6    4    7    8   18                                       
CONECT    7    6   29                                                 
CONECT    8    6   10    9   30                                       
CONECT    9    8   31                                                 
CONECT   10   11    8   32   33                                       
CONECT   11    3   12   10                                            
CONECT   12   11   19   34   35                                       
CONECT   13    1                                                      
CONECT   14    2                                                      
CONECT   15    3                                                      
CONECT   16    4                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19   12   20   36   37                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   38   39                                       
CONECT   22   23   27   27   21                                       
CONECT   23   22   24   24   40                                       
CONECT   24   23   23   25   41                                       
CONECT   25   24   26   26   42                                       
CONECT   26   25   25   27   43                                       
CONECT   27   26   22   22   44                                       
CONECT   28    2                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
