COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.476  -0.108  -0.164  1.00  0.00           C  
HETATM    2  C   UNL     1       4.682  -0.468  -0.307  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.131  -1.871   1.489  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.207   1.069  -0.051  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.452   1.428  -1.518  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.929   0.097   0.084  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.400   1.382   0.068  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.033   1.566   0.124  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.186   0.468   0.197  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.715  -0.816   0.213  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.082  -1.001   0.162  1.00  0.00           C  
HETATM   12  N   UNL     1       0.200   0.655   0.255  1.00  0.00           N  
HETATM   13  C   UNL     1       1.026  -0.241  -0.322  1.00  0.00           C  
HETATM   14  O   UNL     1       0.566  -1.160  -0.975  1.00  0.00           O  
HETATM   15  N   UNL     1       3.124   0.882   0.546  1.00  0.00           N  
HETATM   16  C   UNL     1       4.490   0.667   0.463  1.00  0.00           C  
HETATM   17  C   UNL     1       3.424  -0.953  -0.693  1.00  0.00           C  
HETATM   18  S   UNL     1       6.414  -0.761  -0.427  1.00  0.00           S  
HETATM   19  C   UNL     1       6.730   0.622   0.524  1.00  0.00           C  
HETATM   20  N   UNL     1       5.638   1.201   0.876  1.00  0.00           N  
HETATM   21  N   UNL     1      -5.314  -0.090   0.026  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.872  -1.444   0.043  1.00  0.00           C  
HETATM   23  H   UNL     1      -6.546  -2.879   1.502  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.194  -1.857   2.046  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.838  -1.181   1.950  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.748   1.916   0.459  1.00  0.00           H  
HETATM   27  H   UNL     1      -7.156   0.829   0.428  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.503   1.668  -1.996  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.912   0.580  -2.027  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.117   2.290  -1.575  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.058   2.236   0.011  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.622   2.565   0.112  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.056  -1.671   0.269  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.493  -2.000   0.175  1.00  0.00           H  
HETATM   35  H   UNL     1       0.567   1.429   0.710  1.00  0.00           H  
HETATM   36  H   UNL     1       2.694   1.608   1.023  1.00  0.00           H  
HETATM   37  H   UNL     1       3.234  -1.827  -1.300  1.00  0.00           H  
HETATM   38  H   UNL     1       7.718   0.961   0.800  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.164  -2.134  -0.418  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.808  -1.459  -0.514  1.00  0.00           H  
CONECT    1   17   17   15   13                                       
CONECT    2   18   16   16   17                                       
CONECT    3   22   23   24   25                                       
CONECT    4   21    5   26   27                                       
CONECT    5    4   28   29   30                                       
CONECT    6    7    7   11   21                                       
CONECT    7    8    6    6   31                                       
CONECT    8    9    9    7   32                                       
CONECT    9   12    8    8   10                                       
CONECT   10    9   11   11   33                                       
CONECT   11   10   10    6   34                                       
CONECT   12   13    9   35                                            
CONECT   13    1   12   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   16    1   36                                            
CONECT   16   20    2    2   15                                       
CONECT   17    2    1    1   37                                       
CONECT   18   19    2                                                 
CONECT   19   18   20   20   38                                       
CONECT   20   19   19   16                                            
CONECT   21    6   22    4                                            
CONECT   22   21    3   39   40                                       
CONECT   23    3                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
