COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.859  -2.123  -0.215  1.00  0.00           O  
HETATM    2  C   UNL     1       1.905  -1.133  -0.603  1.00  0.00           C  
HETATM    3  C   UNL     1       1.266  -0.524   0.646  1.00  0.00           C  
HETATM    4  N   UNL     1       0.288   0.492   0.249  1.00  0.00           N  
HETATM    5  C   UNL     1       0.528   1.808   0.068  1.00  0.00           C  
HETATM    6  C   UNL     1       1.862   2.489   0.238  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.585   2.392  -0.284  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.566   1.480  -0.334  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.042   0.285  -0.001  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.764  -1.005   0.075  1.00  0.00           N1+
HETATM   11  O   UNL     1      -2.955  -1.052  -0.179  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.168  -2.019   0.392  1.00  0.00           O1-
HETATM   13  H   UNL     1       3.238  -2.481  -1.030  1.00  0.00           H  
HETATM   14  H   UNL     1       2.406  -0.350  -1.173  1.00  0.00           H  
HETATM   15  H   UNL     1       1.133  -1.593  -1.219  1.00  0.00           H  
HETATM   16  H   UNL     1       0.765  -1.307   1.216  1.00  0.00           H  
HETATM   17  H   UNL     1       2.038  -0.063   1.262  1.00  0.00           H  
HETATM   18  H   UNL     1       1.966   2.833   1.267  1.00  0.00           H  
HETATM   19  H   UNL     1       2.661   1.785   0.008  1.00  0.00           H  
HETATM   20  H   UNL     1       1.923   3.342  -0.438  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.597   1.670  -0.596  1.00  0.00           H  
CONECT    1    2   13                                                 
CONECT    2    1    3   14   15                                       
CONECT    3    2    4   16   17                                       
CONECT    4    3    5    9                                            
CONECT    5    4    6    7    7                                       
CONECT    6    5   18   19   20                                       
CONECT    7    5    5    8                                            
CONECT    8    7    9    9   21                                       
CONECT    9    4    8    8   10                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10                                                      
CONECT   13    1                                                      
CONECT   14    2                                                      
CONECT   15    2                                                      
CONECT   16    3                                                      
CONECT   17    3                                                      
CONECT   18    6                                                      
CONECT   19    6                                                      
CONECT   20    6                                                      
CONECT   21    8                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
