COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.037   0.335   0.008  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.018   1.245  -0.003  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.202   0.521   0.003  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.161  -0.861   0.006  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.955  -1.535   0.002  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.762  -0.821  -0.005  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.829   0.575  -0.007  1.00  0.00           C  
HETATM    8  S   UNL     1       0.740   1.403  -0.001  1.00  0.00           S  
HETATM    9  N   UNL     1       0.465  -1.466  -0.009  1.00  0.00           N  
HETATM   10  C   UNL     1       1.694  -0.975   0.002  1.00  0.00           C  
HETATM   11  O   UNL     1       0.817   2.085  -1.245  1.00  0.00           O  
HETATM   12  O   UNL     1       0.804   2.088   1.243  1.00  0.00           O  
HETATM   13  O   UNL     1       2.606  -1.780   0.008  1.00  0.00           O  
HETATM   14  H   UNL     1       2.960   0.633   0.012  1.00  0.00           H  
HETATM   15  H   UNL     1      -2.037   2.325  -0.006  1.00  0.00           H  
HETATM   16  H   UNL     1      -4.152   1.034   0.007  1.00  0.00           H  
HETATM   17  H   UNL     1      -4.084  -1.422   0.011  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.939  -2.615   0.005  1.00  0.00           H  
HETATM   19  C   UNL     1       0.389  -2.929  -0.005  1.00  0.00           C  
HETATM   20  H   UNL     1      -0.223  -3.263  -0.842  1.00  0.00           H  
HETATM   21  H   UNL     1       1.392  -3.345  -0.100  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.057  -3.267   0.930  1.00  0.00           H  
CONECT    1   10    8   14                                            
CONECT    2    3    7    7   15                                       
CONECT    3    4    4    2   16                                       
CONECT    4    5    3    3   17                                       
CONECT    5    4    6    6   18                                       
CONECT    6    5    5    9    7                                       
CONECT    7    6    2    2    8                                       
CONECT    8    7    1   12   12                                       
CONECT    8   11   11                                                 
CONECT    9    6   10   19                                            
CONECT   10   13   13    9    1                                       
CONECT   11    8    8                                                 
CONECT   12    8    8                                                 
CONECT   13   10   10                                                 
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    3                                                      
CONECT   17    4                                                      
CONECT   18    5                                                      
CONECT   19    9   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
