COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O2* UNL     1      -0.834   2.397  -0.881  1.00  0.00           O  
HETATM    2  C2* UNL     1      -1.343   1.063  -0.833  1.00  0.00           C  
HETATM    3  C3* UNL     1      -2.855   1.060  -0.503  1.00  0.00           C  
HETATM    4  O3* UNL     1      -3.234   2.291   0.116  1.00  0.00           O  
HETATM    5  C4* UNL     1      -3.025  -0.114   0.481  1.00  0.00           C  
HETATM    6  C5* UNL     1      -4.023  -1.127  -0.085  1.00  0.00           C  
HETATM    7  O5* UNL     1      -4.262  -2.151   0.882  1.00  0.00           O  
HETATM    8  O4* UNL     1      -1.736  -0.731   0.636  1.00  0.00           O  
HETATM    9  C1* UNL     1      -0.747   0.286   0.368  1.00  0.00           C  
HETATM   10  N   UNL     1       0.534  -0.324   0.004  1.00  0.00           N1+
HETATM   11  C   UNL     1       1.652   0.271   0.366  1.00  0.00           C  
HETATM   12  C   UNL     1       0.535  -1.457  -0.673  1.00  0.00           C  
HETATM   13  C   UNL     1       1.720  -2.069  -1.038  1.00  0.00           C  
HETATM   14  C   UNL     1       2.923  -1.482  -0.686  1.00  0.00           C  
HETATM   15  C   UNL     1       2.889  -0.283   0.035  1.00  0.00           C  
HETATM   16  C   UNL     1       4.144   0.388   0.437  1.00  0.00           C  
HETATM   17  O   UNL     1       4.103   1.429   1.064  1.00  0.00           O  
HETATM   18  N   UNL     1       5.333  -0.154   0.109  1.00  0.00           N  
HETATM   19  H2* UNL     1      -1.243   2.950  -1.560  1.00  0.00           H  
HETATM   20  H2* UNL     1      -1.148   0.541  -1.770  1.00  0.00           H  
HETATM   21  H3* UNL     1      -3.443   0.890  -1.406  1.00  0.00           H  
HETATM   22  H3* UNL     1      -4.173   2.344   0.345  1.00  0.00           H  
HETATM   23  H4* UNL     1      -3.379   0.257   1.443  1.00  0.00           H  
HETATM   24 H5*1 UNL     1      -4.960  -0.622  -0.319  1.00  0.00           H  
HETATM   25 H5*2 UNL     1      -3.613  -1.572  -0.992  1.00  0.00           H  
HETATM   26  H5* UNL     1      -4.886  -2.829   0.591  1.00  0.00           H  
HETATM   27  H1* UNL     1      -0.629   0.943   1.230  1.00  0.00           H  
HETATM   28  H   UNL     1       1.610   1.195   0.923  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.405  -1.913  -0.947  1.00  0.00           H  
HETATM   30  H   UNL     1       1.707  -2.997  -1.592  1.00  0.00           H  
HETATM   31  H   UNL     1       3.863  -1.938  -0.958  1.00  0.00           H  
HETATM   32  H   UNL     1       5.366  -0.985  -0.391  1.00  0.00           H  
HETATM   33  H   UNL     1       6.157   0.285   0.373  1.00  0.00           H  
CONECT    1    2   19                                                 
CONECT    2    1    9    3   20                                       
CONECT    3    2    4    5   21                                       
CONECT    4    3   22                                                 
CONECT    5    8    3    6   23                                       
CONECT    6    5    7   24   25                                       
CONECT    7    6   26                                                 
CONECT    8    9    5                                                 
CONECT    9   10    2    8   27                                       
CONECT   10   12    9   11   11                                       
CONECT   11   10   10   15   28                                       
CONECT   12   13   13   10   29                                       
CONECT   13   12   12   14   30                                       
CONECT   14   13   15   15   31                                       
CONECT   15   14   14   11   16                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   32   33                                            
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    4                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    9                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   18                                                      
CONECT   33   18                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
