COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.614   1.986  -0.096  1.00  0.00           N  
HETATM    2  C   UNL     1       0.409   0.824  -0.299  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.354  -0.326  -0.104  1.00  0.00           C  
HETATM    4  C   UNL     1       0.274  -1.566   0.010  1.00  0.00           C  
HETATM    5  C   UNL     1       1.648  -1.651  -0.070  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.832  -0.232  -0.019  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.772   0.889  -0.020  1.00  0.00           C  
HETATM    8  N   UNL     1       3.801  -0.592  -0.344  1.00  0.00           N  
HETATM    9  C   UNL     1       6.069   0.251   0.167  1.00  0.00           C  
HETATM   10  O   UNL     1       4.053   1.396   0.607  1.00  0.00           O  
HETATM   11  C   UNL     1       4.569   0.394   0.160  1.00  0.00           C  
HETATM   12  C   UNL     1       2.407  -0.503  -0.264  1.00  0.00           C  
HETATM   13  C   UNL     1       1.783   0.733  -0.379  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.612  -1.310   0.169  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.479   0.929  -0.116  1.00  0.00           N  
HETATM   16  S   UNL     1      -4.291  -0.778   0.214  1.00  0.00           S  
HETATM   17  H   UNL     1      -4.245   2.873  -0.231  1.00  0.00           H  
HETATM   18  H   UNL     1      -5.574   1.867  -0.018  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.075   1.785  -0.393  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.315  -2.458   0.162  1.00  0.00           H  
HETATM   21  H   UNL     1       2.135  -2.611   0.019  1.00  0.00           H  
HETATM   22  H   UNL     1       4.214  -1.364  -0.762  1.00  0.00           H  
HETATM   23  H   UNL     1       6.345  -0.708  -0.271  1.00  0.00           H  
HETATM   24  H   UNL     1       6.514   1.058  -0.415  1.00  0.00           H  
HETATM   25  H   UNL     1       6.433   0.299   1.194  1.00  0.00           H  
HETATM   26  H   UNL     1       2.374   1.624  -0.535  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.268  -2.329   0.273  1.00  0.00           H  
CONECT    1    7   17   18                                            
CONECT    2    3   13   13   19                                       
CONECT    3    6    4    4    2                                       
CONECT    4    3    3    5   20                                       
CONECT    5    4   12   12   21                                       
CONECT    6   15   14   14    3                                       
CONECT    7    1   15   15   16                                       
CONECT    8   12   11   22                                            
CONECT    9   11   23   24   25                                       
CONECT   10   11   11                                                 
CONECT   11    8    9   10   10                                       
CONECT   12    5    5   13    8                                       
CONECT   13    2    2   12   26                                       
CONECT   14   16    6    6   27                                       
CONECT   15    7    7    6                                            
CONECT   16    7   14                                                 
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    2                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    8                                                      
CONECT   23    9                                                      
CONECT   24    9                                                      
CONECT   25    9                                                      
CONECT   26   13                                                      
CONECT   27   14                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
