COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.147   0.812   0.862  1.00  0.00           C  
HETATM    2  C   UNL     1       5.455   1.999   1.019  1.00  0.00           C  
HETATM    3  C   UNL     1       4.091   2.043   0.798  1.00  0.00           C  
HETATM    4  C   UNL     1       3.413   0.895   0.418  1.00  0.00           C  
HETATM    5  C   UNL     1       4.110  -0.302   0.260  1.00  0.00           C  
HETATM    6  C   UNL     1       5.478  -0.338   0.484  1.00  0.00           C  
HETATM    7  N   UNL     1       3.432  -1.464  -0.123  1.00  0.00           N  
HETATM    8  C   UNL     1       3.573  -2.516   0.894  1.00  0.00           C  
HETATM    9  C   UNL     1       2.753  -3.739   0.477  1.00  0.00           C  
HETATM   10  N   UNL     1       3.218  -4.213  -0.834  1.00  0.00           N  
HETATM   11  C   UNL     1       3.077  -3.161  -1.851  1.00  0.00           C  
HETATM   12  C   UNL     1       3.897  -1.938  -1.434  1.00  0.00           C  
HETATM   13  N   UNL     1       2.030   0.938   0.194  1.00  0.00           N  
HETATM   14  C   UNL     1       1.439   2.100  -0.147  1.00  0.00           C  
HETATM   15  O   UNL     1       2.115   3.088  -0.359  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.028   2.173  -0.263  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.812   1.126  -0.043  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.086   1.335  -0.181  1.00  0.00           C  
HETATM   19  S   UNL     1      -2.356   3.014  -0.636  1.00  0.00           S  
HETATM   20  C   UNL     1      -0.673   3.313  -0.597  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.145   0.321   0.012  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.811  -0.984   0.379  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.797  -1.927   0.555  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.137  -1.591   0.369  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.464  -0.287   0.012  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.487   0.663  -0.165  1.00  0.00           C  
HETATM   27  O   UNL     1      -6.252  -2.366   0.473  1.00  0.00           O  
HETATM   28  C   UNL     1      -7.404  -1.521   0.630  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.976  -0.222  -0.093  1.00  0.00           C  
HETATM   30  H   UNL     1       7.213   0.784   1.032  1.00  0.00           H  
HETATM   31  H   UNL     1       5.982   2.894   1.315  1.00  0.00           H  
HETATM   32  H   UNL     1       3.554   2.972   0.922  1.00  0.00           H  
HETATM   33  H   UNL     1       6.023  -1.262   0.358  1.00  0.00           H  
HETATM   34  H   UNL     1       4.622  -2.795   0.985  1.00  0.00           H  
HETATM   35  H   UNL     1       3.211  -2.145   1.853  1.00  0.00           H  
HETATM   36  H   UNL     1       2.879  -4.531   1.215  1.00  0.00           H  
HETATM   37  H   UNL     1       1.700  -3.466   0.412  1.00  0.00           H  
HETATM   38  H   UNL     1       4.171  -4.541  -0.783  1.00  0.00           H  
HETATM   39  H   UNL     1       3.440  -3.532  -2.810  1.00  0.00           H  
HETATM   40  H   UNL     1       2.028  -2.882  -1.942  1.00  0.00           H  
HETATM   41  H   UNL     1       3.771  -1.147  -2.172  1.00  0.00           H  
HETATM   42  H   UNL     1       4.950  -2.211  -1.369  1.00  0.00           H  
HETATM   43  H   UNL     1       1.499   0.131   0.285  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.200   4.260  -0.810  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.775  -1.253   0.525  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.531  -2.935   0.839  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.757   1.671  -0.445  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.275  -1.963   0.147  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.601  -1.329   1.684  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.364   0.657   0.423  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.296  -0.232  -1.135  1.00  0.00           H  
CONECT    1    2    2    6   30                                       
CONECT    2    3    1    1   31                                       
CONECT    3    4    4    2   32                                       
CONECT    4   13    3    3    5                                       
CONECT    5    4    7    6    6                                       
CONECT    6    5    5    1   33                                       
CONECT    7    5    8   12                                            
CONECT    8    7    9   34   35                                       
CONECT    9    8   10   36   37                                       
CONECT   10    9   11   38                                            
CONECT   11   12   10   39   40                                       
CONECT   12    7   11   41   42                                       
CONECT   13   14    4   43                                            
CONECT   14   16   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16   20   20   17   14                                       
CONECT   17   18   18   16                                            
CONECT   18   19   21   17   17                                       
CONECT   19   18   20                                                 
CONECT   20   19   16   16   44                                       
CONECT   21   22   18   26   26                                       
CONECT   22   23   23   21   45                                       
CONECT   23   22   22   24   46                                       
CONECT   24   23   27   25   25                                       
CONECT   25   24   24   26   29                                       
CONECT   26   21   21   25   47                                       
CONECT   27   24   28                                                 
CONECT   28   27   29   48   49                                       
CONECT   29   25   28   50   51                                       
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   26                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
