COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.346  -0.395  -0.002  1.00  0.00           C  
HETATM    2  O   UNL     1       3.328  -1.609  -0.002  1.00  0.00           O  
HETATM    3  O   UNL     1       2.192   0.296  -0.002  1.00  0.00           O  
HETATM    4  C   UNL     1       0.962  -0.477  -0.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.219   0.459  -0.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.539  -0.059  -0.001  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.744  -1.368   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -2.793  -1.772   0.001  1.00  0.00           N1+
HETATM    9  N   UNL     1      -3.842  -2.177   0.001  1.00  0.00           N1-
HETATM   10  C   UNL     1      -2.637   0.839  -0.001  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.410   2.183  -0.001  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.110   2.675  -0.002  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.024   1.809   0.004  1.00  0.00           C  
HETATM   14  H   UNL     1       0.928  -1.105  -0.891  1.00  0.00           H  
HETATM   15  H   UNL     1       0.928  -1.105   0.889  1.00  0.00           H  
HETATM   16  H   UNL     1      -3.648   0.459   0.000  1.00  0.00           H  
HETATM   17  H   UNL     1      -3.244   2.869  -0.001  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.943   3.742  -0.002  1.00  0.00           H  
HETATM   19  H   UNL     1       0.980   2.207   0.009  1.00  0.00           H  
HETATM   20  O   UNL     1       4.522   0.260   0.003  1.00  0.00           O  
HETATM   21  H   UNL     1       5.325  -0.279   0.007  1.00  0.00           H  
CONECT    1    3    2    2   20                                       
CONECT    2    1    1                                                 
CONECT    3    4    1                                                 
CONECT    4    3    5   14   15                                       
CONECT    5    4    6    6   13                                       
CONECT    6    7    5    5   10                                       
CONECT    7    8    8    6                                            
CONECT    8    9    9    7    7                                       
CONECT    9    8    8                                                 
CONECT   10    6   11   11   16                                       
CONECT   11   10   10   12   17                                       
CONECT   12   13   13   11   18                                       
CONECT   13    5   12   12   19                                       
CONECT   14    4                                                      
CONECT   15    4                                                      
CONECT   16   10                                                      
CONECT   17   11                                                      
CONECT   18   12                                                      
CONECT   19   13                                                      
CONECT   20    1   21                                                 
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
