COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.721   1.236  16.364  1.00  0.00           O  
HETATM    2  S   UNL     1      -5.316   0.901  16.399  1.00  0.00           S  
HETATM    3  O   UNL     1      -4.667   1.273  17.711  1.00  0.00           O  
HETATM    4  N   UNL     1      -5.109  -0.707  16.027  1.00  0.00           N  
HETATM    5  N   UNL     1      -4.564   1.757  15.125  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.695   3.233  15.077  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.018   3.769  13.829  1.00  0.00           C  
HETATM    8  B   UNL     1      -4.526   3.320  12.352  1.00  0.00           B  
HETATM    9  B   UNL     1      -4.304   4.748  11.366  1.00  0.00           B  
HETATM   10  B   UNL     1      -3.770   6.134  12.385  1.00  0.00           B  
HETATM   11  B   UNL     1      -4.972   4.949  12.972  1.00  0.00           B  
HETATM   12  B   UNL     1      -3.685   5.510  14.043  1.00  0.00           B  
HETATM   13  B   UNL     1      -2.535   5.208  11.427  1.00  0.00           B  
HETATM   14  B   UNL     1      -3.041   3.483  11.292  1.00  0.00           B  
HETATM   15  B   UNL     1      -1.766   4.019  12.542  1.00  0.00           B  
HETATM   16  B   UNL     1      -2.224   5.707  13.112  1.00  0.00           B  
HETATM   17  C   UNL     1      -2.551   4.267  13.958  1.00  0.00           C  
HETATM   18  H   UNL     1      -4.135  -0.933  16.053  1.00  0.00           H  
HETATM   19  H   UNL     1      -5.599  -1.269  16.693  1.00  0.00           H  
HETATM   20  H   UNL     1      -3.587   1.551  15.170  1.00  0.00           H  
HETATM   21  H   UNL     1      -5.761   3.505  15.059  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.220   3.671  15.967  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2   18   19                                            
CONECT    5    2    6   20                                            
CONECT    6    5    7   21   22                                       
CONECT    7    6    8   11   17                                       
CONECT    7   12                                                      
CONECT    8    7    9   14   11                                       
CONECT    9    8   11   14   13                                       
CONECT    9   10                                                      
CONECT   10   11   12   16   13                                       
CONECT   10    9                                                      
CONECT   11    7    9   10   12                                       
CONECT   11    8                                                      
CONECT   12   10   11   16   17                                       
CONECT   12    7                                                      
CONECT   13   16   10    9   15                                       
CONECT   13   14                                                      
CONECT   14    9   13   15    8                                       
CONECT   15   17   13   14   16                                       
CONECT   16   10   12   13   17                                       
CONECT   16   15                                                      
CONECT   17    7   12   15   16                                       
CONECT   18    4                                                      
CONECT   19    4                                                      
CONECT   20    5                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
