COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.820  -0.297  -1.285  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.729   0.456   1.533  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.700   0.563  -0.628  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.898   0.200  -1.216  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.019  -0.026  -0.429  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.410  -0.631  -0.188  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.369  -1.576  -0.918  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.122   0.698   0.082  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.929   0.098   0.952  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.388   0.435   0.901  1.00  0.00           C  
HETATM   11  O   UNL     1       6.289  -3.368   0.002  1.00  0.00           O  
HETATM   12  C   UNL     1       5.567  -2.218  -0.058  1.00  0.00           C  
HETATM   13  C   UNL     1       4.842  -1.796   1.046  1.00  0.00           C  
HETATM   14  C   UNL     1       4.098  -0.628   0.978  1.00  0.00           C  
HETATM   15  O   UNL     1       3.387  -0.211   2.059  1.00  0.00           O  
HETATM   16  C   UNL     1       4.093   0.123  -0.188  1.00  0.00           C  
HETATM   17  S   UNL     1       3.159   1.615  -0.271  1.00  0.00           S  
HETATM   18  N   UNL     1       1.562   1.202  -0.133  1.00  0.00           N  
HETATM   19  C   UNL     1       0.647   0.874  -1.231  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.229  -0.393  -1.021  1.00  0.00           N  
HETATM   21  C   UNL     1      -7.628  -1.772  -0.069  1.00  0.00           C  
HETATM   22  N   UNL     1      -8.273  -0.473   0.160  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.615   0.691   0.745  1.00  0.00           C  
HETATM   24  C   UNL     1       0.792   1.093   1.110  1.00  0.00           C  
HETATM   25  O   UNL     1       3.484   2.357   0.897  1.00  0.00           O  
HETATM   26  O   UNL     1       3.330   2.124  -1.586  1.00  0.00           O  
HETATM   27  C   UNL     1       5.554  -1.466  -1.224  1.00  0.00           C  
HETATM   28  H   UNL     1       4.812   0.287  -2.194  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.660   0.557   2.606  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.964   0.100  -2.290  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.105  -1.080   0.757  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.643  -1.144  -1.880  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.882  -2.538  -1.076  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.459   1.359   0.639  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.392   1.165  -0.865  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.796  -0.085   1.569  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.116  -0.020   1.854  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.905   1.377   1.083  1.00  0.00           H  
HETATM   39  H   UNL     1       7.199  -3.245   0.306  1.00  0.00           H  
HETATM   40  H   UNL     1       4.851  -2.379   1.955  1.00  0.00           H  
HETATM   41  H   UNL     1       3.880   0.371   2.653  1.00  0.00           H  
HETATM   42  H   UNL     1       1.018   0.005  -1.775  1.00  0.00           H  
HETATM   43  H   UNL     1       0.561   1.725  -1.907  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.288  -0.489  -1.985  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.319  -2.433  -0.593  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.355  -2.216   0.888  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.155  -0.587   0.636  1.00  0.00           H  
HETATM   48  H   UNL     1       1.236   0.335   1.755  1.00  0.00           H  
HETATM   49  H   UNL     1       0.780   2.055   1.623  1.00  0.00           H  
HETATM   50  H   UNL     1       6.118  -1.795  -2.084  1.00  0.00           H  
CONECT    1   16   16   27   28                                       
CONECT    2    9    9   23   29                                       
CONECT    3    4   19   23   23                                       
CONECT    4    5    5    3   30                                       
CONECT    5   20    4    4    9                                       
CONECT    6    8    7   20   31                                       
CONECT    7   21    6   32   33                                       
CONECT    8   10    6   34   35                                       
CONECT    9    5    2    2   36                                       
CONECT   10   22    8   37   38                                       
CONECT   11   12   39                                                 
CONECT   12   13   11   27   27                                       
CONECT   13   14   14   12   40                                       
CONECT   14   15   13   13   16                                       
CONECT   15   14   41                                                 
CONECT   16   14   17    1    1                                       
CONECT   17   18   26   26   16                                       
CONECT   17   25   25                                                 
CONECT   18   19   24   17                                            
CONECT   19    3   18   42   43                                       
CONECT   20    6    5   44                                            
CONECT   21   22    7   45   46                                       
CONECT   22   10   21   47                                            
CONECT   23    3    3    2   24                                       
CONECT   24   23   18   48   49                                       
CONECT   25   17   17                                                 
CONECT   26   17   17                                                 
CONECT   27   12   12    1   50                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
