COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C3* UNL     1       0.767   1.291   0.115  1.00  0.00           C  
HETATM    2  C2* UNL     1      -0.768   1.334  -0.070  1.00  0.00           C  
HETATM    3  C1* UNL     1      -1.185  -0.126   0.018  1.00  0.00           C  
HETATM    4  O3* UNL     1       1.161   2.005   1.288  1.00  0.00           O  
HETATM    5  O4* UNL     1      -0.091  -0.854  -0.355  1.00  0.00           O  
HETATM    6  O   UNL     1      -2.557  -1.977   0.400  1.00  0.00           O  
HETATM    7  C4* UNL     1       1.046  -0.223   0.273  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.329  -0.580   0.370  1.00  0.00           N  
HETATM    9  O2* UNL     1      -1.105   1.876  -1.349  1.00  0.00           O  
HETATM   10  C5* UNL     1       2.339  -0.609  -0.447  1.00  0.00           C  
HETATM   11  O5* UNL     1       2.636  -1.983  -0.190  1.00  0.00           O  
HETATM   12  H3* UNL     1       1.274   1.687  -0.765  1.00  0.00           H  
HETATM   13  H2* UNL     1      -1.233   1.916   0.725  1.00  0.00           H  
HETATM   14  H3* UNL     1       1.007   2.958   1.239  1.00  0.00           H  
HETATM   15  H   UNL     1      -3.450  -2.224   0.678  1.00  0.00           H  
HETATM   16  H4* UNL     1       1.099  -0.494   1.328  1.00  0.00           H  
HETATM   17  H2* UNL     1      -2.055   1.926  -1.517  1.00  0.00           H  
HETATM   18 H5*1 UNL     1       2.217  -0.459  -1.520  1.00  0.00           H  
HETATM   19 H5*2 UNL     1       3.157   0.013  -0.085  1.00  0.00           H  
HETATM   20  H5* UNL     1       3.445  -2.298  -0.617  1.00  0.00           H  
CONECT    1    4    2    7   12                                       
CONECT    2    1    9    3   13                                       
CONECT    3    2    5    8    8                                       
CONECT    4    1   14                                                 
CONECT    5    7    3                                                 
CONECT    6    8   15                                                 
CONECT    7    1    5   10   16                                       
CONECT    8    3    3    6                                            
CONECT    9    2   17                                                 
CONECT   10    7   11   18   19                                       
CONECT   11   10   20                                                 
CONECT   12    1                                                      
CONECT   13    2                                                      
CONECT   14    4                                                      
CONECT   15    6                                                      
CONECT   16    7                                                      
CONECT   17    9                                                      
CONECT   18   10                                                      
CONECT   19   10                                                      
CONECT   20   11                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
