COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.533  -0.170  -4.233  1.00  0.00           O  
HETATM    2  C   UNL     1       5.163  -0.422  -3.210  1.00  0.00           C  
HETATM    3  N   UNL     1       5.451  -1.702  -2.785  1.00  0.00           N  
HETATM    4  C   UNL     1       5.716   0.634  -2.270  1.00  0.00           C  
HETATM    5  C   UNL     1       4.866   1.898  -2.224  1.00  0.00           C  
HETATM    6  N   UNL     1       5.374   2.860  -1.284  1.00  0.00           N  
HETATM    7  C   UNL     1       3.480   1.593  -1.756  1.00  0.00           C  
HETATM    8  N   UNL     1       2.431   2.369  -2.119  1.00  0.00           N  
HETATM    9  C   UNL     1       2.461   3.550  -2.962  1.00  0.00           C  
HETATM   10  C   UNL     1       2.279   3.125  -4.387  1.00  0.00           C  
HETATM   11  O   UNL     1       2.112   1.984  -4.789  1.00  0.00           O  
HETATM   12  N   UNL     1       3.195   0.582  -0.990  1.00  0.00           N  
HETATM   13  C   UNL     1       1.836   0.672  -0.809  1.00  0.00           C  
HETATM   14  C   UNL     1       1.301   1.846  -1.543  1.00  0.00           C  
HETATM   15  O   UNL     1       0.142   2.210  -1.590  1.00  0.00           O  
HETATM   16  C   UNL     1       1.071  -0.149  -0.089  1.00  0.00           C  
HETATM   17  C   UNL     1       1.548  -1.309   0.608  1.00  0.00           C  
HETATM   18  C   UNL     1       1.618  -2.555  -0.038  1.00  0.00           C  
HETATM   19  C   UNL     1       2.081  -3.683   0.639  1.00  0.00           C  
HETATM   20  C   UNL     1       2.482  -3.581   1.971  1.00  0.00           C  
HETATM   21  O   UNL     1       2.934  -4.682   2.632  1.00  0.00           O  
HETATM   22  C   UNL     1       2.419  -2.352   2.626  1.00  0.00           C  
HETATM   23  C   UNL     1       1.955  -1.224   1.949  1.00  0.00           C  
HETATM   24  O   UNL     1       2.325   4.210  -5.203  1.00  0.00           O  
HETATM   25  H   UNL     1       5.974  -1.887  -1.936  1.00  0.00           H  
HETATM   26  H   UNL     1       5.143  -2.510  -3.317  1.00  0.00           H  
HETATM   27  H   UNL     1       6.728   0.880  -2.616  1.00  0.00           H  
HETATM   28  H   UNL     1       5.812   0.193  -1.270  1.00  0.00           H  
HETATM   29  H   UNL     1       4.800   2.387  -3.201  1.00  0.00           H  
HETATM   30  H   UNL     1       5.489   3.817  -1.575  1.00  0.00           H  
HETATM   31  H   UNL     1       5.795   2.535  -0.428  1.00  0.00           H  
HETATM   32  H   UNL     1       3.429   4.044  -2.847  1.00  0.00           H  
HETATM   33  H   UNL     1       1.650   4.221  -2.668  1.00  0.00           H  
HETATM   34  H   UNL     1       2.208   3.964  -6.146  1.00  0.00           H  
HETATM   35  H   UNL     1       0.002   0.062  -0.048  1.00  0.00           H  
HETATM   36  H   UNL     1       1.309  -2.650  -1.076  1.00  0.00           H  
HETATM   37  H   UNL     1       2.128  -4.638   0.123  1.00  0.00           H  
HETATM   38  H   UNL     1       2.561  -5.487   2.239  1.00  0.00           H  
HETATM   39  H   UNL     1       2.730  -2.266   3.664  1.00  0.00           H  
HETATM   40  H   UNL     1       1.912  -0.272   2.474  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   25   26                                            
CONECT    4    2    5   27   28                                       
CONECT    5    4    7    6   29                                       
CONECT    6    5   30   31                                            
CONECT    7    5   12   12    8                                       
CONECT    8    7   14    9                                            
CONECT    9    8   10   32   33                                       
CONECT   10    9   24   11   11                                       
CONECT   11   10   10                                                 
CONECT   12    7    7   13                                            
CONECT   13   12   16   16   14                                       
CONECT   14    8   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   13   13   17   35                                       
CONECT   17   16   23   23   18                                       
CONECT   18   17   19   19   36                                       
CONECT   19   18   18   20   37                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20   38                                                 
CONECT   22   20   20   23   39                                       
CONECT   23   17   17   22   40                                       
CONECT   24   10   34                                                 
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   24                                                      
CONECT   35   16                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
