COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.116   0.972   0.267  1.00  0.00           N  
HETATM    2  C   UNL     1       1.776  -1.730   0.414  1.00  0.00           C  
HETATM    3  C   UNL     1       0.564  -1.107   0.632  1.00  0.00           C  
HETATM    4  C   UNL     1       0.423   0.248   0.359  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.944   0.320   0.132  1.00  0.00           C  
HETATM    6  S   UNL     1      -1.904  -1.224  -0.606  1.00  0.00           S  
HETATM    7  N   UNL     1      -0.804   0.883   0.579  1.00  0.00           N  
HETATM    8  C   UNL     1       1.502   0.971  -0.131  1.00  0.00           C  
HETATM    9  C   UNL     1       1.353   2.441  -0.427  1.00  0.00           C  
HETATM   10  C   UNL     1       2.850  -1.007  -0.075  1.00  0.00           C  
HETATM   11  C   UNL     1       2.712   0.341  -0.347  1.00  0.00           C  
HETATM   12  H   UNL     1      -3.937   0.566  -0.054  1.00  0.00           H  
HETATM   13  H   UNL     1      -3.140   1.845   0.689  1.00  0.00           H  
HETATM   14  H   UNL     1       1.888  -2.783   0.629  1.00  0.00           H  
HETATM   15  H   UNL     1      -0.274  -1.672   1.013  1.00  0.00           H  
HETATM   16  H   UNL     1      -0.835   1.729   1.053  1.00  0.00           H  
HETATM   17  H   UNL     1       1.605   3.018   0.462  1.00  0.00           H  
HETATM   18  H   UNL     1       2.024   2.717  -1.241  1.00  0.00           H  
HETATM   19  H   UNL     1       0.324   2.651  -0.717  1.00  0.00           H  
HETATM   20  H   UNL     1       3.798  -1.497  -0.240  1.00  0.00           H  
HETATM   21  H   UNL     1       3.552   0.903  -0.728  1.00  0.00           H  
CONECT    1    5   12   13                                            
CONECT    2    3    3   10   14                                       
CONECT    3    4    2    2   15                                       
CONECT    4    7    8    8    3                                       
CONECT    5    6    6    7    1                                       
CONECT    6    5    5                                                 
CONECT    7    5    4   16                                            
CONECT    8    4    4    9   11                                       
CONECT    9    8   17   18   19                                       
CONECT   10   11   11    2   20                                       
CONECT   11    8   10   10   21                                       
CONECT   12    1                                                      
CONECT   13    1                                                      
CONECT   14    2                                                      
CONECT   15    3                                                      
CONECT   16    7                                                      
CONECT   17    9                                                      
CONECT   18    9                                                      
CONECT   19    9                                                      
CONECT   20   10                                                      
CONECT   21   11                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
