COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.581   1.114  -0.127  1.00  0.00           C  
HETATM    2  C   UNL     1       1.360  -0.019   0.016  1.00  0.00           C  
HETATM    3  C   UNL     1       0.762  -1.249   0.217  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.616  -1.346   0.275  1.00  0.00           C  
HETATM    5  O   UNL     1       3.363   1.169  -0.223  1.00  0.00           O1-
HETATM    6  N   UNL     1       2.836   0.085  -0.046  1.00  0.00           N1+
HETATM    7  O   UNL     1       3.522  -0.913   0.081  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.797   1.017  -0.069  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.395  -0.213   0.133  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.897  -0.319   0.196  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.431   0.849   0.822  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.460  -0.440  -1.222  1.00  0.00           C  
HETATM   13  H   UNL     1       1.048   2.075  -0.280  1.00  0.00           H  
HETATM   14  H   UNL     1       1.371  -2.134   0.329  1.00  0.00           H  
HETATM   15  H   UNL     1      -1.083  -2.307   0.432  1.00  0.00           H  
HETATM   16  H   UNL     1      -1.406   1.902  -0.177  1.00  0.00           H  
HETATM   17  H   UNL     1      -3.175  -1.201   0.774  1.00  0.00           H  
HETATM   18  H   UNL     1      -3.223   1.673   0.361  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.052  -1.331  -1.699  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.546  -0.517  -1.176  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.181   0.441  -1.800  1.00  0.00           H  
CONECT    1    2    2    8   13                                       
CONECT    2    6    3    1    1                                       
CONECT    3    4    4    2   14                                       
CONECT    4    3    3    9   15                                       
CONECT    5    6                                                      
CONECT    6    7    7    5    2                                       
CONECT    7    6    6                                                 
CONECT    8    9    9    1   16                                       
CONECT    9    4   10    8    8                                       
CONECT   10   11    9   12   17                                       
CONECT   11   10   18                                                 
CONECT   12   10   19   20   21                                       
CONECT   13    1                                                      
CONECT   14    3                                                      
CONECT   15    4                                                      
CONECT   16    8                                                      
CONECT   17   10                                                      
CONECT   18   11                                                      
CONECT   19   12                                                      
CONECT   20   12                                                      
CONECT   21   12                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
