COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.869   0.203  -0.886  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.436  -0.905   1.293  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.537   0.448   0.657  1.00  0.00           C  
HETATM    4  O   UNL     1       2.839  -1.806  -0.758  1.00  0.00           O  
HETATM    5  S   UNL     1       1.748  -1.291  -0.007  1.00  0.00           S  
HETATM    6  C   UNL     1       2.041   0.437   0.173  1.00  0.00           C  
HETATM    7  C   UNL     1       1.670   1.202   1.227  1.00  0.00           C  
HETATM    8  C   UNL     1       0.934   0.728   2.453  1.00  0.00           C  
HETATM    9  N   UNL     1       2.078   2.465   0.982  1.00  0.00           N  
HETATM   10  N   UNL     1       2.721   2.477  -0.263  1.00  0.00           N  
HETATM   11  C   UNL     1       2.704   1.260  -0.744  1.00  0.00           C  
HETATM   12  C   UNL     1       3.292   0.822  -2.060  1.00  0.00           C  
HETATM   13  N   UNL     1       0.404  -1.463  -0.958  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.836  -1.007  -0.504  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.615  -0.262  -1.337  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.293  -0.130   0.482  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.245  -1.324   0.800  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.863   1.077  -0.480  1.00  0.00           N  
HETATM   19  N   UNL     1      -3.838   0.924  -1.421  1.00  0.00           N  
HETATM   20  O   UNL     1       1.394  -1.775   1.281  1.00  0.00           O  
HETATM   21  H   UNL     1      -2.726  -1.161   2.301  1.00  0.00           H  
HETATM   22  H   UNL     1      -5.141   0.399   1.551  1.00  0.00           H  
HETATM   23  H   UNL     1       1.652   0.480   3.235  1.00  0.00           H  
HETATM   24  H   UNL     1       0.271   1.517   2.806  1.00  0.00           H  
HETATM   25  H   UNL     1       0.347  -0.156   2.205  1.00  0.00           H  
HETATM   26  H   UNL     1       1.949   3.229   1.565  1.00  0.00           H  
HETATM   27  H   UNL     1       2.540   0.916  -2.843  1.00  0.00           H  
HETATM   28  H   UNL     1       4.149   1.449  -2.302  1.00  0.00           H  
HETATM   29  H   UNL     1       3.612  -0.218  -1.987  1.00  0.00           H  
HETATM   30  H   UNL     1       0.477  -1.881  -1.831  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.276  -0.028  -2.335  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.595  -1.915   1.427  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.687   1.567  -0.629  1.00  0.00           H  
CONECT    1   15   19   19   16                                       
CONECT    2   17   17   16   21                                       
CONECT    3   16   16   18   22                                       
CONECT    4    5    5                                                 
CONECT    5   20   20    4    4                                       
CONECT    5   13    6                                                 
CONECT    6    5   11    7    7                                       
CONECT    7    6    6    8    9                                       
CONECT    8    7   23   24   25                                       
CONECT    9    7   10   26                                            
CONECT   10   11   11    9                                            
CONECT   11   12    6   10   10                                       
CONECT   12   11   27   28   29                                       
CONECT   13    5   14   30                                            
CONECT   14   13   15   15   17                                       
CONECT   15   14   14    1   31                                       
CONECT   16    1    2    3    3                                       
CONECT   17   14    2    2   32                                       
CONECT   18   19    3   33                                            
CONECT   19    1    1   18                                            
CONECT   20    5    5                                                 
CONECT   21    2                                                      
CONECT   22    3                                                      
CONECT   23    8                                                      
CONECT   24    8                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27   12                                                      
CONECT   28   12                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   15                                                      
CONECT   32   17                                                      
CONECT   33   18                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
