COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C1* UNL     1       0.904  -0.029   0.574  1.00  0.00           C  
HETATM    2  N   UNL     1       1.664  -0.614  -0.534  1.00  0.00           N  
HETATM    3  C2* UNL     1       0.422   1.391   0.205  1.00  0.00           C  
HETATM    4  N   UNL     1       2.735  -0.920  -0.380  1.00  0.00           N1+
HETATM    5  O2* UNL     1       0.400   2.229   1.362  1.00  0.00           O  
HETATM    6  C3* UNL     1      -1.010   1.174  -0.334  1.00  0.00           C  
HETATM    7  N   UNL     1       3.805  -1.226  -0.227  1.00  0.00           N1-
HETATM    8  O3* UNL     1      -1.103   1.598  -1.695  1.00  0.00           O  
HETATM    9  C4* UNL     1      -1.224  -0.352  -0.226  1.00  0.00           C  
HETATM   10  O4* UNL     1      -0.308  -0.781   0.804  1.00  0.00           O  
HETATM   11  C5* UNL     1      -2.666  -0.660   0.181  1.00  0.00           C  
HETATM   12  O5* UNL     1      -2.875  -2.074   0.162  1.00  0.00           O  
HETATM   13  H1* UNL     1       1.512  -0.001   1.478  1.00  0.00           H  
HETATM   14  H2* UNL     1       1.061   1.823  -0.566  1.00  0.00           H  
HETATM   15  H2* UNL     1       1.265   2.350   1.777  1.00  0.00           H  
HETATM   16  H3* UNL     1      -1.735   1.708   0.282  1.00  0.00           H  
HETATM   17  H3* UNL     1      -0.917   2.538  -1.828  1.00  0.00           H  
HETATM   18  H4* UNL     1      -0.984  -0.836  -1.173  1.00  0.00           H  
HETATM   19 H5*1 UNL     1      -2.849  -0.280   1.186  1.00  0.00           H  
HETATM   20 H5*2 UNL     1      -3.352  -0.182  -0.519  1.00  0.00           H  
HETATM   21  H5* UNL     1      -3.770  -2.343   0.410  1.00  0.00           H  
CONECT    1    2    3   10   13                                       
CONECT    2    1    4    4                                            
CONECT    3    1    5    6   14                                       
CONECT    4    2    2    7    7                                       
CONECT    5    3   15                                                 
CONECT    6    3    8    9   16                                       
CONECT    7    4    4                                                 
CONECT    8    6   17                                                 
CONECT    9    6   10   11   18                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   19   20                                       
CONECT   12   11   21                                                 
CONECT   13    1                                                      
CONECT   14    3                                                      
CONECT   15    5                                                      
CONECT   16    6                                                      
CONECT   17    8                                                      
CONECT   18    9                                                      
CONECT   19   11                                                      
CONECT   20   11                                                      
CONECT   21   12                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
