COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.571   0.373  -0.020  1.00  0.00           C  
HETATM    2  C   UNL     1       4.172   1.688  -0.114  1.00  0.00           C  
HETATM    3  C   UNL     1       2.824   2.016  -0.177  1.00  0.00           C  
HETATM    4  C   UNL     1       1.868   1.016  -0.145  1.00  0.00           C  
HETATM    5  C   UNL     1       0.391   0.998  -0.190  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.426  -0.700  -0.141  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.353   0.340  -0.158  1.00  0.00           O  
HETATM    8  O   UNL     1      -1.543   0.127   2.057  1.00  0.00           O  
HETATM    9  N   UNL     1      -0.022  -0.281  -0.123  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.084  -0.231  -1.443  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.575  -0.581  -1.390  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.452   0.226   0.956  1.00  0.00           N  
HETATM   13  N   UNL     1       4.026  -1.976   0.104  1.00  0.00           N  
HETATM   14  C   UNL     1       3.622  -0.652   0.014  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.329   1.973  -0.272  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.149  -0.087   1.029  1.00  0.00           C  
HETATM   17  C   UNL     1       1.023  -1.123  -0.038  1.00  0.00           C  
HETATM   18  C   UNL     1       2.266  -0.335  -0.048  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.182   0.026  -0.153  1.00  0.00           C  
HETATM   20  O   UNL     1       0.952  -2.334   0.036  1.00  0.00           O  
HETATM   21  H   UNL     1       5.622   0.132   0.024  1.00  0.00           H  
HETATM   22  H   UNL     1       4.915   2.471  -0.139  1.00  0.00           H  
HETATM   23  H   UNL     1       2.522   3.050  -0.251  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.482  -1.787  -0.075  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.965   0.848  -1.545  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.617  -0.733  -2.290  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.074  -0.184  -2.273  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.694  -1.664  -1.360  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.883   0.611   1.736  1.00  0.00           H  
HETATM   30  H   UNL     1       4.970  -2.193   0.143  1.00  0.00           H  
HETATM   31  H   UNL     1       3.364  -2.685   0.127  1.00  0.00           H  
CONECT    1    2    2   14   21                                       
CONECT    2    3    1    1   22                                       
CONECT    3    4    4    2   23                                       
CONECT    4    5    3    3   18                                       
CONECT    5   15   15    9    4                                       
CONECT    6   16   10    9   24                                       
CONECT    7   19   19                                                 
CONECT    8   16   16                                                 
CONECT    9    5    6   17                                            
CONECT   10   11    6   25   26                                       
CONECT   11   19   10   27   28                                       
CONECT   12   19   16   29                                            
CONECT   13   14   30   31                                            
CONECT   14   18   18    1   13                                       
CONECT   15    5    5                                                 
CONECT   16   12    8    8    6                                       
CONECT   17    9   18   20   20                                       
CONECT   18    4   17   14   14                                       
CONECT   19    7    7   12   11                                       
CONECT   20   17   17                                                 
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    6                                                      
CONECT   25   10                                                      
CONECT   26   10                                                      
CONECT   27   11                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   13                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
