COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  I   UNL     1      -0.064  -0.126  -3.452  1.00  0.00           I  
HETATM    2  C   UNL     1       0.217   0.171  -1.397  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.710   0.893  -0.669  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.523   1.090   0.685  1.00  0.00           C  
HETATM    5  C   UNL     1       1.332  -0.354  -0.769  1.00  0.00           C  
HETATM    6  C   UNL     1       1.520  -0.152   0.585  1.00  0.00           C  
HETATM    7  C   UNL     1       0.590   0.565   1.313  1.00  0.00           C  
HETATM    8  C   UNL     1       0.793   0.779   2.791  1.00  0.00           C  
HETATM    9  C   UNL     1       0.133  -0.361   3.567  1.00  0.00           C  
HETATM   10  S   UNL     1      -1.642  -0.394   3.200  1.00  0.00           S  
HETATM   11  C   UNL     1       0.337  -0.146   5.045  1.00  0.00           C  
HETATM   12  O   UNL     1       0.430   0.974   5.485  1.00  0.00           O  
HETATM   13  O   UNL     1       0.414  -1.200   5.872  1.00  0.00           O  
HETATM   14  H   UNL     1      -1.580   1.303  -1.160  1.00  0.00           H  
HETATM   15  H   UNL     1      -1.247   1.654   1.254  1.00  0.00           H  
HETATM   16  H   UNL     1       2.056  -0.918  -1.337  1.00  0.00           H  
HETATM   17  H   UNL     1       2.390  -0.562   1.075  1.00  0.00           H  
HETATM   18  H   UNL     1       0.343   1.727   3.085  1.00  0.00           H  
HETATM   19  H   UNL     1       1.861   0.800   3.011  1.00  0.00           H  
HETATM   20  H   UNL     1       0.583  -1.309   3.273  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.992   0.831   3.627  1.00  0.00           H  
HETATM   22  H   UNL     1       0.545  -1.062   6.820  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4   14                                       
CONECT    4    3    7    7   15                                       
CONECT    5    2    6    6   16                                       
CONECT    6    5    5    7   17                                       
CONECT    7    4    4    6    8                                       
CONECT    8    7    9   18   19                                       
CONECT    9    8   10   11   20                                       
CONECT   10    9   21                                                 
CONECT   11    9   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   22                                                 
CONECT   14    3                                                      
CONECT   15    4                                                      
CONECT   16    5                                                      
CONECT   17    6                                                      
CONECT   18    8                                                      
CONECT   19    8                                                      
CONECT   20    9                                                      
CONECT   21   10                                                      
CONECT   22   13                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
