COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.394   0.223   0.006  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.007   1.430   0.009  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.451   1.387   0.006  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.040   0.177   0.001  1.00  0.00           N  
HETATM    5  S   UNL     1      -1.767  -0.910  -0.008  1.00  0.00           S  
HETATM    6  O   UNL     1      -1.775  -1.542  -1.281  1.00  0.00           O  
HETATM    7  O   UNL     1      -1.769  -1.555   1.258  1.00  0.00           O  
HETATM    8  O   UNL     1      -3.112   2.409   0.007  1.00  0.00           O  
HETATM    9  C   UNL     1       1.047  -0.077   0.008  1.00  0.00           C  
HETATM   10  C   UNL     1       1.488  -1.404   0.005  1.00  0.00           C  
HETATM   11  C   UNL     1       2.839  -1.681   0.006  1.00  0.00           C  
HETATM   12  C   UNL     1       3.761  -0.650   0.011  1.00  0.00           C  
HETATM   13  C   UNL     1       3.334   0.672   0.015  1.00  0.00           C  
HETATM   14  C   UNL     1       1.981   0.963   0.019  1.00  0.00           C  
HETATM   15  O   UNL     1       4.246   1.680   0.021  1.00  0.00           O  
HETATM   16  H   UNL     1      -0.455   2.359   0.013  1.00  0.00           H  
HETATM   17  H   UNL     1      -3.989  -0.021  -0.002  1.00  0.00           H  
HETATM   18  H   UNL     1       0.771  -2.212   0.000  1.00  0.00           H  
HETATM   19  H   UNL     1       3.179  -2.706   0.003  1.00  0.00           H  
HETATM   20  H   UNL     1       4.818  -0.873   0.012  1.00  0.00           H  
HETATM   21  H   UNL     1       1.648   1.990   0.022  1.00  0.00           H  
HETATM   22  H   UNL     1       4.435   1.891  -0.904  1.00  0.00           H  
CONECT    1    2    2    5    9                                       
CONECT    2    1    1    3   16                                       
CONECT    3    2    4    8    8                                       
CONECT    4    3    5   17                                            
CONECT    5    1    4    6    6                                       
CONECT    5    7    7                                                 
CONECT    6    5    5                                                 
CONECT    7    5    5                                                 
CONECT    8    3    3                                                 
CONECT    9    1   10   10   14                                       
CONECT   10    9    9   11   18                                       
CONECT   11   10   12   12   19                                       
CONECT   12   11   11   13   20                                       
CONECT   13   12   14   14   15                                       
CONECT   14    9   13   13   21                                       
CONECT   15   13   22                                                 
CONECT   16    2                                                      
CONECT   17    4                                                      
CONECT   18   10                                                      
CONECT   19   11                                                      
CONECT   20   12                                                      
CONECT   21   14                                                      
CONECT   22   15                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
