COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.271   1.338   1.372  1.00  0.00           O  
HETATM    2  S   UNL     1      -4.766   1.357  -0.064  1.00  0.00           S  
HETATM    3  O   UNL     1      -5.555   0.416  -0.779  1.00  0.00           O  
HETATM    4  O   UNL     1      -4.661   2.724  -0.435  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.124   0.719  -0.048  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.067   1.577  -0.043  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.755   1.125  -0.031  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.918  -0.672  -0.034  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.596  -1.180  -0.021  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.387  -2.563  -0.009  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.458  -3.407  -0.008  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.759  -2.911  -0.021  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.999  -1.570  -0.033  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.477  -0.238  -0.023  1.00  0.00           C  
HETATM   15  N   UNL     1       0.809  -0.685  -0.011  1.00  0.00           N  
HETATM   16  N   UNL     1       1.785   0.158  -0.013  1.00  0.00           N  
HETATM   17  C   UNL     1       3.068  -0.288  -0.001  1.00  0.00           C  
HETATM   18  C   UNL     1       4.187   0.654  -0.003  1.00  0.00           C  
HETATM   19  C   UNL     1       3.977   2.037  -0.015  1.00  0.00           C  
HETATM   20  C   UNL     1       5.048   2.882  -0.016  1.00  0.00           C  
HETATM   21  C   UNL     1       6.349   2.386  -0.004  1.00  0.00           C  
HETATM   22  C   UNL     1       6.588   1.045   0.008  1.00  0.00           C  
HETATM   23  C   UNL     1       5.509   0.146   0.009  1.00  0.00           C  
HETATM   24  C   UNL     1       5.718  -1.245   0.023  1.00  0.00           C  
HETATM   25  C   UNL     1       4.667  -2.107   0.024  1.00  0.00           C  
HETATM   26  C   UNL     1       3.348  -1.658   0.018  1.00  0.00           C  
HETATM   27  O   UNL     1       2.329  -2.554   0.020  1.00  0.00           O  
HETATM   28  H   UNL     1      -2.256   2.641  -0.050  1.00  0.00           H  
HETATM   29  H   UNL     1       0.057   1.837  -0.029  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.383  -2.961   0.001  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.296  -4.475   0.001  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.591  -3.600  -0.021  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.013  -1.199  -0.043  1.00  0.00           H  
HETATM   34  H   UNL     1       2.972   2.434  -0.025  1.00  0.00           H  
HETATM   35  H   UNL     1       4.884   3.949  -0.026  1.00  0.00           H  
HETATM   36  H   UNL     1       7.180   3.075  -0.005  1.00  0.00           H  
HETATM   37  H   UNL     1       7.603   0.675   0.017  1.00  0.00           H  
HETATM   38  H   UNL     1       6.726  -1.633   0.032  1.00  0.00           H  
HETATM   39  H   UNL     1       4.859  -3.170   0.039  1.00  0.00           H  
HETATM   40  H   UNL     1       2.032  -2.810   0.904  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.172   1.671   1.476  1.00  0.00           H  
CONECT    1    2   41                                                 
CONECT    2    3    3    5    4                                       
CONECT    2    4    1                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    8    2    6    6                                       
CONECT    6    5    5    7   28                                       
CONECT    7   14   14    6   29                                       
CONECT    8   13   13    9    5                                       
CONECT    9   10   10    8   14                                       
CONECT   10   11    9    9   30                                       
CONECT   11   12   12   10   31                                       
CONECT   12   11   11   13   32                                       
CONECT   13   12    8    8   33                                       
CONECT   14    9   15    7    7                                       
CONECT   15   14   16   16                                            
CONECT   16   15   15   17                                            
CONECT   17   26   16   18   18                                       
CONECT   18   17   17   23   19                                       
CONECT   19   18   20   20   34                                       
CONECT   20   19   19   21   35                                       
CONECT   21   22   22   20   36                                       
CONECT   22   23   21   21   37                                       
CONECT   23   24   24   18   22                                       
CONECT   24   25   23   23   38                                       
CONECT   25   26   26   24   39                                       
CONECT   26   27   25   25   17                                       
CONECT   27   26   40                                                 
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   19                                                      
CONECT   35   20                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
CONECT   40   27                                                      
CONECT   41    1                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
