COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.245   1.052  -0.001  1.00  0.00           C  
HETATM    2  N   UNL     1       1.929   1.122  -0.001  1.00  0.00           N  
HETATM    3  S   UNL     1      -2.661   1.068   0.002  1.00  0.00           S  
HETATM    4  C   UNL     1       3.891  -0.170  -0.003  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.108  -0.905  -0.003  1.00  0.00           N  
HETATM    6  C   UNL     1       3.140  -1.338   0.002  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.375  -1.639  -0.003  1.00  0.00           N  
HETATM    8  C   UNL     1       1.761  -1.236   0.008  1.00  0.00           C  
HETATM    9  C   UNL     1       1.175   0.030  -0.002  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.301   0.156  -0.001  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.922   1.349   0.001  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.384  -0.671  -0.002  1.00  0.00           C  
HETATM   13  H   UNL     1       3.827   1.962  -0.005  1.00  0.00           H  
HETATM   14  H   UNL     1       4.970  -0.216  -0.008  1.00  0.00           H  
HETATM   15  H   UNL     1       3.622  -2.304   0.001  1.00  0.00           H  
HETATM   16  H   UNL     1      -3.134  -2.579  -0.005  1.00  0.00           H  
HETATM   17  H   UNL     1      -4.308  -1.377  -0.001  1.00  0.00           H  
HETATM   18  H   UNL     1       1.146  -2.124   0.012  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.437   2.314   0.003  1.00  0.00           H  
CONECT    1    2    4    4   13                                       
CONECT    2    9    9    1                                            
CONECT    3   12   11                                                 
CONECT    4    1    1    6   14                                       
CONECT    5   12   12   10                                            
CONECT    6    8    8    4   15                                       
CONECT    7   12   16   17                                            
CONECT    8    9    6    6   18                                       
CONECT    9   10    2    2    8                                       
CONECT   10    5   11   11    9                                       
CONECT   11    3   10   10   19                                       
CONECT   12    7    5    5    3                                       
CONECT   13    1                                                      
CONECT   14    4                                                      
CONECT   15    6                                                      
CONECT   16    7                                                      
CONECT   17    7                                                      
CONECT   18    8                                                      
CONECT   19   11                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
