COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.411  -1.406   0.374  1.00  0.00           C  
HETATM    2  C   UNL     1       0.290  -1.603  -0.275  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.991  -1.827   0.485  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.743  -1.659   1.923  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.040  -0.811   0.026  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.376  -1.116   0.706  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.409  -0.116   0.255  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.181  -0.377  -0.862  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.129   0.541  -1.276  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.305   1.718  -0.574  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.533   1.978   0.543  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.588   1.059   0.960  1.00  0.00           C  
HETATM   13  C   UNL     1       4.270   3.082   0.398  1.00  0.00           C  
HETATM   14  C   UNL     1       4.690   2.033   1.194  1.00  0.00           C  
HETATM   15  C   UNL     1       4.275   0.744   0.915  1.00  0.00           C  
HETATM   16  C   UNL     1       3.439   0.505  -0.160  1.00  0.00           C  
HETATM   17  S   UNL     1       2.909  -1.138  -0.515  1.00  0.00           S  
HETATM   18  O   UNL     1       3.877  -2.005   0.058  1.00  0.00           O  
HETATM   19  O   UNL     1       2.566  -1.159  -1.894  1.00  0.00           O  
HETATM   20  C   UNL     1       3.018   1.554  -0.956  1.00  0.00           C  
HETATM   21  C   UNL     1       3.434   2.843  -0.677  1.00  0.00           C  
HETATM   22  H   UNL     1       1.417  -1.404   1.454  1.00  0.00           H  
HETATM   23  H   UNL     1       0.285  -1.606  -1.355  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.355  -2.836   0.295  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.405  -0.730   2.126  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.715   0.193   0.297  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.159  -0.876  -1.055  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.701  -2.121   0.435  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.257  -1.052   1.788  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.044  -1.297  -1.411  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.732   0.338  -2.149  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.044   2.435  -0.898  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.670   2.898   1.092  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.988   1.260   1.835  1.00  0.00           H  
HETATM   35  H   UNL     1       4.591   4.089   0.618  1.00  0.00           H  
HETATM   36  H   UNL     1       5.344   2.220   2.033  1.00  0.00           H  
HETATM   37  H   UNL     1       4.603  -0.076   1.536  1.00  0.00           H  
HETATM   38  H   UNL     1       2.365   1.367  -1.795  1.00  0.00           H  
HETATM   39  H   UNL     1       3.106   3.662  -1.299  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.572  -1.866   2.460  1.00  0.00           H  
CONECT    1    2    2   22   17                                       
CONECT    2    1    1    3   23                                       
CONECT    3    2    4    5   24                                       
CONECT    4    3   25   40                                            
CONECT    5    3    6   26   27                                       
CONECT    6    5    7   28   29                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   30                                       
CONECT    9    8   10   10   31                                       
CONECT   10    9    9   11   32                                       
CONECT   11   10   12   12   33                                       
CONECT   12    7   11   11   34                                       
CONECT   13   14   14   21   35                                       
CONECT   14   13   13   15   36                                       
CONECT   15   14   16   16   37                                       
CONECT   16   15   15   17   20                                       
CONECT   17    1   16   18   18                                       
CONECT   17   19   19                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   16   21   21   38                                       
CONECT   21   13   20   20   39                                       
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40    4                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
