COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.862   1.870   0.302  1.00  0.00           N  
HETATM    2  S   UNL     1      -0.903  -0.631  -0.295  1.00  0.00           S  
HETATM    3  O   UNL     1       6.261   0.256  -0.552  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.051   0.681  -0.038  1.00  0.00           C  
HETATM    5  O   UNL     1       1.632  -1.751  -0.977  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.171  -0.681   0.162  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.839   2.650   0.215  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.881  -0.831   1.519  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.771   1.965   0.015  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.395  -0.862   1.222  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.388   0.557   0.140  1.00  0.00           N  
HETATM   12  C   UNL     1      -6.484  -1.336  -0.250  1.00  0.00           C  
HETATM   13  N   UNL     1       3.029  -0.227  -0.171  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.278  -0.625  -0.911  1.00  0.00           C  
HETATM   15  C   UNL     1       0.631   0.318  -0.442  1.00  0.00           C  
HETATM   16  C   UNL     1       1.799  -0.628  -0.550  1.00  0.00           C  
HETATM   17  C   UNL     1       0.569   1.197  -1.693  1.00  0.00           C  
HETATM   18  C   UNL     1       4.164  -1.146  -0.276  1.00  0.00           C  
HETATM   19  C   UNL     1       5.414  -0.458   0.207  1.00  0.00           C  
HETATM   20  C   UNL     1       5.872  -0.455   1.472  1.00  0.00           C  
HETATM   21  C   UNL     1       7.064   0.305   1.475  1.00  0.00           C  
HETATM   22  C   UNL     1       7.264   0.721   0.212  1.00  0.00           C  
HETATM   23  H   UNL     1      -3.521  -1.537  -0.016  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.576  -1.761   1.999  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.644   0.017   2.161  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.898  -1.569   1.882  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.826   0.133   1.332  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.378  -2.419  -0.314  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.422  -1.014  -0.703  1.00  0.00           H  
HETATM   30  H   UNL     1       3.162   0.671   0.170  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.528   0.409  -1.149  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.966  -1.159  -1.809  1.00  0.00           H  
HETATM   33  H   UNL     1       0.754   0.949   0.439  1.00  0.00           H  
HETATM   34  H   UNL     1       0.446   0.567  -2.574  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.275   1.881  -1.615  1.00  0.00           H  
HETATM   36  H   UNL     1       1.493   1.768  -1.782  1.00  0.00           H  
HETATM   37  H   UNL     1       3.975  -2.028   0.336  1.00  0.00           H  
HETATM   38  H   UNL     1       4.293  -1.447  -1.316  1.00  0.00           H  
HETATM   39  H   UNL     1       5.416  -0.940   2.323  1.00  0.00           H  
HETATM   40  H   UNL     1       7.693   0.512   2.328  1.00  0.00           H  
HETATM   41  H   UNL     1       8.090   1.327  -0.131  1.00  0.00           H  
CONECT    1    7    7   11                                            
CONECT    2    4   15                                                 
CONECT    3   22   19                                                 
CONECT    4    9    9   11    2                                       
CONECT    5   16   16                                                 
CONECT    6   11   14    8   23                                       
CONECT    7    1    1    9                                            
CONECT    8    6   10   24   25                                       
CONECT    9    7    4    4                                            
CONECT   10   12    8   26   27                                       
CONECT   11    1    4    6                                            
CONECT   12   14   10   28   29                                       
CONECT   13   16   18   30                                            
CONECT   14    6   12   31   32                                       
CONECT   15    2   16   17   33                                       
CONECT   16    5    5   15   13                                       
CONECT   17   15   34   35   36                                       
CONECT   18   19   13   37   38                                       
CONECT   19    3   18   20   20                                       
CONECT   20   19   19   21   39                                       
CONECT   21   22   22   20   40                                       
CONECT   22    3   21   21   41                                       
CONECT   23    6                                                      
CONECT   24    8                                                      
CONECT   25    8                                                      
CONECT   26   10                                                      
CONECT   27   10                                                      
CONECT   28   12                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
