COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.447  -1.638   0.019  1.00  0.00           O  
HETATM    2  C   UNL     1       3.667  -0.701   0.072  1.00  0.00           C  
HETATM    3  N   UNL     1       4.114   0.560   0.265  1.00  0.00           N  
HETATM    4  C   UNL     1       3.233   1.597   0.321  1.00  0.00           C  
HETATM    5  N   UNL     1       3.709   2.868   0.518  1.00  0.00           N  
HETATM    6  N   UNL     1       1.938   1.410   0.191  1.00  0.00           N  
HETATM    7  C   UNL     1       1.432   0.186  -0.004  1.00  0.00           C  
HETATM    8  C   UNL     1       2.287  -0.906  -0.074  1.00  0.00           C  
HETATM    9  N   UNL     1       1.491  -2.034  -0.287  1.00  0.00           N  
HETATM   10  C   UNL     1       0.207  -1.628  -0.347  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.752  -2.356  -0.522  1.00  0.00           O  
HETATM   12  N   UNL     1       0.150  -0.295  -0.170  1.00  0.00           N  
HETATM   13  C1* UNL     1      -1.072   0.514  -0.172  1.00  0.00           C  
HETATM   14  O4* UNL     1      -2.020  -0.007   0.786  1.00  0.00           O  
HETATM   15  C2* UNL     1      -1.788   0.404  -1.536  1.00  0.00           C  
HETATM   16  C3* UNL     1      -3.290   0.401  -1.172  1.00  0.00           C  
HETATM   17  O3* UNL     1      -3.950   1.524  -1.759  1.00  0.00           O  
HETATM   18  C4* UNL     1      -3.303   0.508   0.368  1.00  0.00           C  
HETATM   19  C5* UNL     1      -4.434  -0.342   0.952  1.00  0.00           C  
HETATM   20  O5* UNL     1      -4.455  -0.195   2.373  1.00  0.00           O  
HETATM   21  H   UNL     1       5.064   0.726   0.365  1.00  0.00           H  
HETATM   22  H   UNL     1       4.662   3.020   0.616  1.00  0.00           H  
HETATM   23  H   UNL     1       3.092   3.615   0.560  1.00  0.00           H  
HETATM   24  H1* UNL     1      -0.838   1.554   0.054  1.00  0.00           H  
HETATM   25 H2*1 UNL     1      -1.549   1.263  -2.163  1.00  0.00           H  
HETATM   26 H2*2 UNL     1      -1.514  -0.524  -2.038  1.00  0.00           H  
HETATM   27  H3* UNL     1      -3.759  -0.528  -1.497  1.00  0.00           H  
HETATM   28  H3* UNL     1      -3.919   1.539  -2.725  1.00  0.00           H  
HETATM   29  H4* UNL     1      -3.413   1.548   0.675  1.00  0.00           H  
HETATM   30 H5*1 UNL     1      -5.387  -0.013   0.538  1.00  0.00           H  
HETATM   31 H5*2 UNL     1      -4.269  -1.389   0.697  1.00  0.00           H  
HETATM   32  H5* UNL     1      -5.149  -0.707   2.811  1.00  0.00           H  
HETATM   33  H   UNL     1       1.806  -2.947  -0.376  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    2    4   21                                            
CONECT    4    3    5    6    6                                       
CONECT    5    4   22   23                                            
CONECT    6    4    4    7                                            
CONECT    7    6    8    8   12                                       
CONECT    8    2    7    7    9                                       
CONECT    9    8   10   33                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12    7   10   13                                            
CONECT   13   12   14   15   24                                       
CONECT   14   13   18                                                 
CONECT   15   13   16   25   26                                       
CONECT   16   15   17   18   27                                       
CONECT   17   16   28                                                 
CONECT   18   14   16   19   29                                       
CONECT   19   18   20   30   31                                       
CONECT   20   19   32                                                 
CONECT   21    3                                                      
CONECT   22    5                                                      
CONECT   23    5                                                      
CONECT   24   13                                                      
CONECT   25   15                                                      
CONECT   26   15                                                      
CONECT   27   16                                                      
CONECT   28   17                                                      
CONECT   29   18                                                      
CONECT   30   19                                                      
CONECT   31   19                                                      
CONECT   32   20                                                      
CONECT   33    9                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
