COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.464  -0.154   5.520  1.00  0.00           C  
HETATM    2  S   UNL     1      -0.890   0.314   4.415  1.00  0.00           S  
HETATM    3  C   UNL     1      -0.118   0.045   2.854  1.00  0.00           C  
HETATM    4  N   UNL     1       1.111  -0.375   2.655  1.00  0.00           N  
HETATM    5  N   UNL     1       1.347  -0.465   1.395  1.00  0.00           N  
HETATM    6  C   UNL     1       0.287  -0.098   0.712  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.683   0.239   1.626  1.00  0.00           N  
HETATM    8  C   UNL     1       0.161  -0.056  -0.759  1.00  0.00           C  
HETATM    9  C   UNL     1       1.228   0.389  -1.541  1.00  0.00           C  
HETATM   10  C   UNL     1       1.104   0.425  -2.915  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.074   0.020  -3.518  1.00  0.00           C  
HETATM   12 CL   UNL     1      -0.222   0.069  -5.246  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -1.135  -0.423  -2.747  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.022  -0.468  -1.373  1.00  0.00           C  
HETATM   15  H   UNL     1       0.143  -0.041   6.556  1.00  0.00           H  
HETATM   16  H   UNL     1       0.740  -1.192   5.336  1.00  0.00           H  
HETATM   17  H   UNL     1       1.324   0.489   5.335  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.582   0.551   1.438  1.00  0.00           H  
HETATM   19  H   UNL     1       2.148   0.705  -1.072  1.00  0.00           H  
HETATM   20  H   UNL     1       1.929   0.769  -3.521  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.053  -0.737  -3.222  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.850  -0.815  -0.773  1.00  0.00           H  
CONECT    1    2   15   16   17                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    6                                            
CONECT    6    5    5    7    8                                       
CONECT    7    3    6   18                                            
CONECT    8    6    9    9   14                                       
CONECT    9    8    8   10   19                                       
CONECT   10    9   11   11   20                                       
CONECT   11   10   10   12   13                                       
CONECT   12   11                                                      
CONECT   13   11   14   14   21                                       
CONECT   14    8   13   13   22                                       
CONECT   15    1                                                      
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18    7                                                      
CONECT   19    9                                                      
CONECT   20   10                                                      
CONECT   21   13                                                      
CONECT   22   14                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
