COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O5* UNL     1       4.400   2.224   0.864  1.00  0.00           O  
HETATM    2  C5* UNL     1       4.146   1.230  -0.131  1.00  0.00           C  
HETATM    3  C4* UNL     1       3.314   0.099   0.479  1.00  0.00           C  
HETATM    4  O4* UNL     1       1.980   0.558   0.786  1.00  0.00           O  
HETATM    5  C3* UNL     1       3.082  -1.029  -0.559  1.00  0.00           C  
HETATM    6  O3* UNL     1       4.168  -1.958  -0.553  1.00  0.00           O  
HETATM    7  C2* UNL     1       1.785  -1.691  -0.033  1.00  0.00           C  
HETATM    8  C1* UNL     1       1.141  -0.607   0.858  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.200  -0.287   0.363  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.347   0.277  -0.848  1.00  0.00           C  
HETATM   11  O   UNL     1       0.648   0.518  -1.513  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.543   0.581  -1.343  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.646   0.333  -0.648  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.532  -0.262   0.637  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.281  -0.567   1.127  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.903  -0.404   1.139  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.715   0.082   0.191  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.218   0.136   0.285  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.976   0.525  -0.881  1.00  0.00           N  
HETATM   20  H5* UNL     1       4.924   2.972   0.547  1.00  0.00           H  
HETATM   21 H5*1 UNL     1       3.598   1.677  -0.960  1.00  0.00           H  
HETATM   22 H5*2 UNL     1       5.092   0.829  -0.494  1.00  0.00           H  
HETATM   23  H4* UNL     1       3.799  -0.294   1.372  1.00  0.00           H  
HETATM   24  H3* UNL     1       2.932  -0.615  -1.556  1.00  0.00           H  
HETATM   25  H3* UNL     1       4.069  -2.682  -1.185  1.00  0.00           H  
HETATM   26 H2*1 UNL     1       1.124  -1.946  -0.862  1.00  0.00           H  
HETATM   27 H2*2 UNL     1       2.021  -2.578   0.555  1.00  0.00           H  
HETATM   28  H1* UNL     1       1.084  -0.959   1.888  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.201  -0.820   2.091  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.520   1.082   0.734  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.648   0.054  -0.713  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.573  -0.689   0.902  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.347   0.918  -1.686  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.166  -1.025   2.099  1.00  0.00           H  
CONECT    1    2   20                                                 
CONECT    2    1    3   21   22                                       
CONECT    3    5    4    2   23                                       
CONECT    4    8    3                                                 
CONECT    5    7    6    3   24                                       
CONECT    6    5   25                                                 
CONECT    7    8    5   26   27                                       
CONECT    8    9    7    4   28                                       
CONECT    9   10   15    8                                            
CONECT   10   12   11   11    9                                       
CONECT   11   10   10                                                 
CONECT   12   13   13   10                                            
CONECT   13   19   12   12   14                                       
CONECT   14   13   16   15   15                                       
CONECT   15   14   14    9   34                                       
CONECT   16   17   17   14   29                                       
CONECT   17   19   18   16   16                                       
CONECT   18   17   30   31   32                                       
CONECT   19   17   13   33                                            
CONECT   20    1                                                      
CONECT   21    2                                                      
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29   16                                                      
CONECT   30   18                                                      
CONECT   31   18                                                      
CONECT   32   18                                                      
CONECT   33   19                                                      
CONECT   34   15                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
