COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.237  -0.391   0.072  1.00  0.00           C  
HETATM    2  N   UNL     1       3.728   1.393   0.741  1.00  0.00           N  
HETATM    3  OXT UNL     1       6.037   0.475  -0.197  1.00  0.00           O  
HETATM    4  N   UNL     1      -5.306   0.361  -0.111  1.00  0.00           N  
HETATM    5  N   UNL     1      -6.228  -0.178  -0.461  1.00  0.00           N1+
HETATM    6  N   UNL     1      -7.150  -0.717  -0.811  1.00  0.00           N  
HETATM    7  CA  UNL     1       3.806  -0.027   0.370  1.00  0.00           C  
HETATM    8  C   UNL     1       2.946  -0.278  -0.870  1.00  0.00           C  
HETATM    9  C   UNL     1       1.498  -0.031  -0.536  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.468   0.643   0.379  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.162   0.421   0.078  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.221  -0.472   0.860  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.659  -0.032   1.144  1.00  0.00           C  
HETATM   14  C   UNL     1       0.956   1.230  -0.700  1.00  0.00           C  
HETATM   15  C   UNL     1       0.711  -1.069  -0.072  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.371   1.459  -0.394  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.618  -0.846   0.235  1.00  0.00           C  
HETATM   18  O   UNL     1       5.623  -1.676   0.099  1.00  0.00           O  
HETATM   19  H1  UNL     1       4.062   1.981  -0.008  1.00  0.00           H  
HETATM   20  H2  UNL     1       2.789   1.646   1.008  1.00  0.00           H  
HETATM   21  H   UNL     1       6.551  -1.860  -0.099  1.00  0.00           H  
HETATM   22  H   UNL     1      -7.068  -1.498  -1.381  1.00  0.00           H  
HETATM   23  HA  UNL     1       3.440  -0.638   1.195  1.00  0.00           H  
HETATM   24  H   UNL     1       3.255   0.398  -1.669  1.00  0.00           H  
HETATM   25  H   UNL     1       3.073  -1.309  -1.198  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.225  -1.260   0.107  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.769  -0.848   1.777  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.651   0.815   1.829  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.210  -0.858   1.593  1.00  0.00           H  
HETATM   30  H   UNL     1       1.572   2.038  -1.067  1.00  0.00           H  
HETATM   31  H   UNL     1       1.134  -2.055   0.051  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.792   2.446  -0.518  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.231  -1.655   0.602  1.00  0.00           H  
CONECT    1   18    7    3    3                                       
CONECT    2    7   19   20                                            
CONECT    3    1    1                                                 
CONECT    4    5    5   13                                            
CONECT    5    4    4    6    6                                       
CONECT    6    5    5   22                                            
CONECT    7    1    2    8   23                                       
CONECT    8    7    9   24   25                                       
CONECT    9    8   15   15   14                                       
CONECT   10   12   11                                                 
CONECT   11   10   17   17   16                                       
CONECT   12   10   13   26   27                                       
CONECT   13    4   12   28   29                                       
CONECT   14    9   16   16   30                                       
CONECT   15    9    9   17   31                                       
CONECT   16   11   14   14   32                                       
CONECT   17   11   11   15   33                                       
CONECT   18    1   21                                                 
CONECT   19    2                                                      
CONECT   20    2                                                      
CONECT   21   18                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25    8                                                      
CONECT   26   12                                                      
CONECT   27   12                                                      
CONECT   28   13                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
