COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.441   2.192   1.819  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.382   2.158   0.392  1.00  0.00           C  
HETATM    3  O   UNL     1       0.941   1.812  -0.023  1.00  0.00           O  
HETATM    4  C   UNL     1       1.394   0.549   0.469  1.00  0.00           C  
HETATM    5  C   UNL     1       2.825   0.298  -0.012  1.00  0.00           C  
HETATM    6  O   UNL     1       3.698   1.271   0.563  1.00  0.00           O  
HETATM    7  S   UNL     1       5.155   1.116   0.151  1.00  0.00           S  
HETATM    8  O   UNL     1       5.899   2.020   0.956  1.00  0.00           O  
HETATM    9  O   UNL     1       5.414  -0.280   0.108  1.00  0.00           O  
HETATM   10  O   UNL     1       5.274   1.619  -1.281  1.00  0.00           O  
HETATM   11  C   UNL     1       0.477  -0.560  -0.056  1.00  0.00           C  
HETATM   12  O   UNL     1       0.894  -1.817   0.481  1.00  0.00           O  
HETATM   13  S   UNL     1       0.963  -2.937  -0.548  1.00  0.00           S  
HETATM   14  O   UNL     1       1.209  -4.134   0.177  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.157  -2.764  -1.405  1.00  0.00           O  
HETATM   16  O   UNL     1       2.199  -2.689  -1.401  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.962  -0.269   0.379  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.836  -1.259  -0.167  1.00  0.00           O  
HETATM   19  S   UNL     1      -2.998  -1.630   0.743  1.00  0.00           S  
HETATM   20  O   UNL     1      -2.482  -1.646   2.067  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.998  -0.484   0.686  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.636  -2.750   0.144  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.370   1.115  -0.136  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.686   1.427   0.325  1.00  0.00           O  
HETATM   25  S   UNL     1      -3.512   2.237  -0.663  1.00  0.00           S  
HETATM   26  O   UNL     1      -4.694   2.625   0.025  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.621   3.168  -1.263  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.951   1.288  -1.769  1.00  0.00           O  
HETATM   29  H   UNL     1       0.161   2.832   2.223  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.642   3.139  -0.006  1.00  0.00           H  
HETATM   31  H   UNL     1       1.373   0.553   1.559  1.00  0.00           H  
HETATM   32  H   UNL     1       3.141  -0.700   0.294  1.00  0.00           H  
HETATM   33  H   UNL     1       2.861   0.373  -1.099  1.00  0.00           H  
HETATM   34  H   UNL     1       0.531  -0.592  -1.144  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.025  -0.288   1.467  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.355   1.117  -1.226  1.00  0.00           H  
HETATM   37  H   UNL     1       6.169   1.564  -1.644  1.00  0.00           H  
HETATM   38  H   UNL     1       2.338  -3.350  -2.093  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.783  -0.619   1.234  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.487   1.706  -2.456  1.00  0.00           H  
CONECT    1    2   29                                                 
CONECT    2    1    3   23   30                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   11   31                                       
CONECT    5    4    6   32   33                                       
CONECT    6    5    7                                                 
CONECT    7    6    8    8    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   37                                                 
CONECT   11    4   12   17   34                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   14   15                                       
CONECT   13   15   16                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13   38                                                 
CONECT   17   11   18   23   35                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   20   21                                       
CONECT   19   22   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   39                                                 
CONECT   22   19   19                                                 
CONECT   23    2   17   24   36                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   26   27                                       
CONECT   25   27   28                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   40                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34   11                                                      
CONECT   35   17                                                      
CONECT   36   23                                                      
CONECT   37   10                                                      
CONECT   38   16                                                      
CONECT   39   21                                                      
CONECT   40   28                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
