COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.012  -2.057  -0.086  1.00  0.00           N  
HETATM    2  C   UNL     1       0.004  -4.327  -0.144  1.00  0.00           C  
HETATM    3  C   UNL     1       0.803  -0.749  -0.039  1.00  0.00           C  
HETATM    4  C   UNL     1       1.912   0.233  -0.027  1.00  0.00           C  
HETATM    5  C   UNL     1       3.104  -0.065   0.634  1.00  0.00           C  
HETATM    6  C   UNL     1       4.133   0.854   0.641  1.00  0.00           C  
HETATM    7  C   UNL     1       2.809   2.365  -0.671  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.975   0.933   0.050  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.203   2.608   0.166  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.762   2.431   0.133  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.302   1.167   0.083  1.00  0.00           C  
HETATM   12  C   UNL     1       1.770   1.457  -0.681  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.499  -0.376  -0.002  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.027  -2.821  -0.093  1.00  0.00           C  
HETATM   15  C   UNL     1       3.985   2.068  -0.005  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.083   0.236   0.066  1.00  0.00           O  
HETATM   17  S   UNL     1      -1.485  -1.837  -0.033  1.00  0.00           S  
HETATM   18  H   UNL     1       0.030  -4.725   0.871  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.888  -4.691  -0.654  1.00  0.00           H  
HETATM   20  H   UNL     1       0.891  -4.655  -0.685  1.00  0.00           H  
HETATM   21  H   UNL     1       3.220  -1.013   1.139  1.00  0.00           H  
HETATM   22  H   UNL     1       5.056   0.624   1.152  1.00  0.00           H  
HETATM   23  H   UNL     1       2.699   3.314  -1.173  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.351   1.676   0.063  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.643   2.172  -0.731  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.610   2.113   1.047  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.438   3.672   0.205  1.00  0.00           H  
HETATM   28  H   UNL     1       0.853   1.689  -1.201  1.00  0.00           H  
HETATM   29  H   UNL     1       4.795   2.782   0.000  1.00  0.00           H  
CONECT    1   14   14    3                                            
CONECT    2   14   18   19   20                                       
CONECT    3    1    4   13   13                                       
CONECT    4   12   12    5    3                                       
CONECT    5    6    6    4   21                                       
CONECT    6   15    5    5   22                                       
CONECT    7   15   15   12   23                                       
CONECT    8   13   11   24                                            
CONECT    9   10   25   26   27                                       
CONECT   10   11    9                                                 
CONECT   11    8   16   16   10                                       
CONECT   12    7    4    4   28                                       
CONECT   13    3    3   17    8                                       
CONECT   14    2    1    1   17                                       
CONECT   15    7    7    6   29                                       
CONECT   16   11   11                                                 
CONECT   17   14   13                                                 
CONECT   18    2                                                      
CONECT   19    2                                                      
CONECT   20    2                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27    9                                                      
CONECT   28   12                                                      
CONECT   29   15                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
