COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.177  -0.973  -0.222  1.00  0.00           C  
HETATM    2  O   UNL     1       7.048  -1.765   0.154  1.00  0.00           O  
HETATM    3  C   UNL     1       5.828  -1.167   0.096  1.00  0.00           C  
HETATM    4  C   UNL     1       4.686  -1.883   0.449  1.00  0.00           C  
HETATM    5  C   UNL     1       3.445  -1.276   0.391  1.00  0.00           C  
HETATM    6  O   UNL     1       4.792  -3.178   0.848  1.00  0.00           O  
HETATM    7  C   UNL     1       5.724   0.156  -0.307  1.00  0.00           C  
HETATM    8  C   UNL     1       4.489   0.767  -0.366  1.00  0.00           C  
HETATM    9  C   UNL     1       3.340   0.054  -0.020  1.00  0.00           C  
HETATM   10  C   UNL     1       2.016   0.707  -0.084  1.00  0.00           C  
HETATM   11  N   UNL     1       0.880   0.144   0.215  1.00  0.00           N  
HETATM   12  S   UNL     1       1.721   2.376  -0.568  1.00  0.00           S  
HETATM   13  C   UNL     1      -0.007   2.139  -0.313  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.081   3.176  -0.521  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.300   3.950   0.781  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.391   5.002   0.570  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.201   0.882   0.099  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.574   0.345   0.410  1.00  0.00           C  
HETATM   19  S   UNL     1      -2.293  -0.376  -1.086  1.00  0.00           S  
HETATM   20  C   UNL     1      -3.848  -0.910  -0.451  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.132  -0.695   0.825  1.00  0.00           N  
HETATM   22  N   UNL     1      -4.704  -1.512  -1.264  1.00  0.00           N  
HETATM   23  C   UNL     1      -5.887  -1.929  -0.820  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.777  -2.558  -1.676  1.00  0.00           N  
HETATM   25  C   UNL     1      -6.219  -1.725   0.516  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.299  -1.079   1.337  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.587  -0.854   2.674  1.00  0.00           N  
HETATM   28  H   UNL     1       8.245  -0.105   0.433  1.00  0.00           H  
HETATM   29  H   UNL     1       9.085  -1.569  -0.131  1.00  0.00           H  
HETATM   30  H   UNL     1       8.061  -0.642  -1.253  1.00  0.00           H  
HETATM   31  H   UNL     1       2.559  -1.829   0.664  1.00  0.00           H  
HETATM   32  H   UNL     1       4.914  -3.287   1.801  1.00  0.00           H  
HETATM   33  H   UNL     1       6.612   0.709  -0.576  1.00  0.00           H  
HETATM   34  H   UNL     1       4.411   1.797  -0.681  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.772   3.866  -1.306  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.009   2.684  -0.812  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.609   3.260   1.566  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.372   4.441   1.073  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.319   4.511   0.279  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.547   5.554   1.497  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.082   5.693  -0.215  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.498  -0.421   1.183  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.210   1.156   0.765  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.539  -2.697  -2.606  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.638  -2.859  -1.346  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.173  -2.052   0.905  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.434  -1.148   3.044  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.941  -0.404   3.240  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3                                                 
CONECT    3    7    2    4    4                                       
CONECT    4    3    3    5    6                                       
CONECT    5    9    9    4   31                                       
CONECT    6    4   32                                                 
CONECT    7    8    8    3   33                                       
CONECT    8    7    7    9   34                                       
CONECT    9    8   10    5    5                                       
CONECT   10   12    9   11   11                                       
CONECT   11   10   10   17                                            
CONECT   12   13   10                                                 
CONECT   13   14   12   17   17                                       
CONECT   14   15   13   35   36                                       
CONECT   15   14   16   37   38                                       
CONECT   16   15   39   40   41                                       
CONECT   17   13   13   11   18                                       
CONECT   18   17   19   42   43                                       
CONECT   19   20   18                                                 
CONECT   20   21   21   22   19                                       
CONECT   21   26   20   20                                            
CONECT   22   23   23   20                                            
CONECT   23   25   24   22   22                                       
CONECT   24   23   44   45                                            
CONECT   25   26   26   23   46                                       
CONECT   26   27   25   25   21                                       
CONECT   27   26   47   48                                            
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
