COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.218  -1.562  -1.606  1.00  0.00           O  
HETATM    2  S   UNL     1      -2.113  -0.289  -0.982  1.00  0.00           S  
HETATM    3  O   UNL     1      -2.315   0.935  -1.675  1.00  0.00           O  
HETATM    4  N   UNL     1      -3.187  -0.295   0.278  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.607  -1.532   0.872  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.845  -2.208   0.233  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.917  -1.143  -0.110  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.989  -0.095   0.963  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.144   1.067   0.451  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.732   0.994   0.823  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.495  -0.207  -0.289  1.00  0.00           C  
HETATM   12  C   UNL     1       0.089   1.022  -0.046  1.00  0.00           C  
HETATM   13  C   UNL     1       0.184  -1.371   0.015  1.00  0.00           C  
HETATM   14  C   UNL     1       1.454  -1.313   0.561  1.00  0.00           C  
HETATM   15  C   UNL     1       2.048  -0.086   0.802  1.00  0.00           C  
HETATM   16  O   UNL     1       3.297  -0.027   1.338  1.00  0.00           O  
HETATM   17  C   UNL     1       3.938  -1.271   1.627  1.00  0.00           C  
HETATM   18  C   UNL     1       1.362   1.089   0.500  1.00  0.00           C  
HETATM   19  N   UNL     1       1.957   2.333   0.747  1.00  0.00           N  
HETATM   20  C   UNL     1       1.721   3.369  -0.082  1.00  0.00           C  
HETATM   21  O   UNL     1       0.933   3.247  -0.996  1.00  0.00           O  
HETATM   22  C   UNL     1       2.438   4.678   0.125  1.00  0.00           C  
HETATM   23  H   UNL     1      -2.774  -2.233   0.822  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.829  -1.346   1.923  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.545  -2.724  -0.679  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.265  -2.930   0.933  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.661  -0.669  -1.058  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.888  -1.629  -0.203  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.021   0.224   1.110  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.575  -0.480   1.895  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.215   1.094  -0.636  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.558   1.995   0.845  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.638   1.005   1.909  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.188   1.836   0.395  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.446   1.931  -0.282  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.278  -2.329  -0.172  1.00  0.00           H  
HETATM   37  H   UNL     1       1.982  -2.225   0.798  1.00  0.00           H  
HETATM   38  H   UNL     1       4.792  -1.096   2.281  1.00  0.00           H  
HETATM   39  H   UNL     1       3.232  -1.937   2.122  1.00  0.00           H  
HETATM   40  H   UNL     1       2.537   2.449   1.515  1.00  0.00           H  
HETATM   41  H   UNL     1       3.371   4.675  -0.439  1.00  0.00           H  
HETATM   42  H   UNL     1       1.807   5.497  -0.221  1.00  0.00           H  
HETATM   43  H   UNL     1       2.655   4.810   1.185  1.00  0.00           H  
HETATM   44  S   UNL     1       4.506  -2.032   0.081  1.00  0.00           S  
HETATM   45  C   UNL     1       5.964  -1.041  -0.349  1.00  0.00           C  
HETATM   46  C   UNL     1       6.570  -1.566  -1.653  1.00  0.00           C  
HETATM   47  H   UNL     1       5.670   0.000  -0.479  1.00  0.00           H  
HETATM   48  H   UNL     1       6.702  -1.114   0.449  1.00  0.00           H  
HETATM   49  H   UNL     1       5.832  -1.493  -2.452  1.00  0.00           H  
HETATM   50  H   UNL     1       7.445  -0.971  -1.912  1.00  0.00           H  
HETATM   51  H   UNL     1       6.863  -2.608  -1.524  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1   11                                       
CONECT    2    3    3                                                 
CONECT    3    2    2                                                 
CONECT    4    5   10    2                                            
CONECT    5    6    4   23   24                                       
CONECT    6    7    5   25   26                                       
CONECT    7    6    8   27   28                                       
CONECT    8    7    9   29   30                                       
CONECT    9    8   10   31   32                                       
CONECT   10    4    9   33   34                                       
CONECT   11   12    2   13   13                                       
CONECT   12   18   18   11   35                                       
CONECT   13   11   11   14   36                                       
CONECT   14   15   15   13   37                                       
CONECT   15   18   16   14   14                                       
CONECT   16   15   17                                                 
CONECT   17   16   38   39   44                                       
CONECT   18   19   12   12   15                                       
CONECT   19   20   18   40                                            
CONECT   20   21   21   22   19                                       
CONECT   21   20   20                                                 
CONECT   22   20   41   42   43                                       
CONECT   23    5                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   17   45                                                 
CONECT   45   44   46   47   48                                       
CONECT   46   45   49   50   51                                       
CONECT   47   45                                                      
CONECT   48   45                                                      
CONECT   49   46                                                      
CONECT   50   46                                                      
CONECT   51   46                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
