COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.476  -1.530   0.008  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.140  -2.748  -0.048  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.419  -3.929  -0.054  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.036  -3.905  -0.010  1.00  0.00           C  
HETATM    5  C   UNL     1       0.637  -2.687   0.045  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.084  -1.493   0.062  1.00  0.00           C  
HETATM    7  C   UNL     1       2.119  -2.609   0.072  1.00  0.00           C  
HETATM    8  C   UNL     1       0.742  -5.196  -0.022  1.00  0.00           C  
HETATM    9  O   UNL     1       2.823  -3.599   0.029  1.00  0.00           O  
HETATM   10  N   UNL     1       2.641  -1.336   0.148  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.646  -2.784  -0.102  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.200  -0.235  -0.002  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.462   0.934   0.176  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.138   2.153   0.155  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.452   2.162  -0.040  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.119   1.027  -0.203  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.514  -0.153  -0.183  1.00  0.00           N  
HETATM   18  N   UNL     1      -5.489   1.075  -0.398  1.00  0.00           N  
HETATM   19  C   UNL     1       4.120  -1.262   0.119  1.00  0.00           C  
HETATM   20  C   UNL     1       4.534   0.162   0.500  1.00  0.00           C  
HETATM   21  C   UNL     1       3.997   1.149  -0.536  1.00  0.00           C  
HETATM   22  N   UNL     1       2.798   1.824   0.021  1.00  0.00           N  
HETATM   23  C   UNL     1       2.675   3.141  -0.336  1.00  0.00           C  
HETATM   24  C   UNL     1       1.478   3.922   0.139  1.00  0.00           C  
HETATM   25  O   UNL     1       3.519   3.671  -1.026  1.00  0.00           O  
HETATM   26  C   UNL     1       0.417   2.964   0.677  1.00  0.00           C  
HETATM   27  S   UNL     1      -1.236   3.649   0.403  1.00  0.00           S  
HETATM   28  H   UNL     1      -1.938  -4.875  -0.093  1.00  0.00           H  
HETATM   29  H   UNL     1       0.433  -0.547   0.117  1.00  0.00           H  
HETATM   30  H   UNL     1       0.961  -5.479  -1.051  1.00  0.00           H  
HETATM   31  H   UNL     1       1.675  -5.063   0.526  1.00  0.00           H  
HETATM   32  H   UNL     1       0.151  -5.980   0.452  1.00  0.00           H  
HETATM   33  H   UNL     1       2.081  -0.547   0.216  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.973  -2.765  -1.142  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.005  -3.695   0.375  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.049  -1.917   0.421  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.393   0.896   0.326  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.946   1.930  -0.415  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.990   0.253  -0.519  1.00  0.00           H  
HETATM   40  H   UNL     1       4.538  -1.971   0.835  1.00  0.00           H  
HETATM   41  H   UNL     1       4.480  -1.495  -0.883  1.00  0.00           H  
HETATM   42  H   UNL     1       4.127   0.408   1.481  1.00  0.00           H  
HETATM   43  H   UNL     1       5.622   0.226   0.533  1.00  0.00           H  
HETATM   44  H   UNL     1       4.762   1.891  -0.764  1.00  0.00           H  
HETATM   45  H   UNL     1       3.725   0.612  -1.445  1.00  0.00           H  
HETATM   46  H   UNL     1       2.155   1.371   0.589  1.00  0.00           H  
HETATM   47  H   UNL     1       1.783   4.607   0.930  1.00  0.00           H  
HETATM   48  H   UNL     1       1.063   4.492  -0.692  1.00  0.00           H  
HETATM   49  H   UNL     1       0.501   2.006   0.163  1.00  0.00           H  
HETATM   50  H   UNL     1       0.574   2.814   1.745  1.00  0.00           H  
CONECT    1    2    2    6   12                                       
CONECT    2    1    1    3   11                                       
CONECT    3    2    4    4   28                                       
CONECT    4    3    3    5    8                                       
CONECT    5    4    6    6    7                                       
CONECT    6    1    5    5   29                                       
CONECT    7    5    9    9   10                                       
CONECT    8    4   30   31   32                                       
CONECT    9    7    7                                                 
CONECT   10    7   19   33                                            
CONECT   11    2   34   35   36                                       
CONECT   12    1   13   13   17                                       
CONECT   13   12   12   14   37                                       
CONECT   14   13   15   15   27                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   17   18                                       
CONECT   17   12   16   16                                            
CONECT   18   16   38   39                                            
CONECT   19   10   20   40   41                                       
CONECT   20   19   21   42   43                                       
CONECT   21   20   22   44   45                                       
CONECT   22   21   23   46                                            
CONECT   23   22   24   25   25                                       
CONECT   24   23   26   47   48                                       
CONECT   25   23   23                                                 
CONECT   26   24   27   49   50                                       
CONECT   27   14   26                                                 
CONECT   28    3                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
