COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.114   0.679  -0.151  1.00  0.00           C  
HETATM    2  N   UNL     1       2.762   1.226  -0.012  1.00  0.00           N  
HETATM    3  C   UNL     1       2.566   2.672   0.111  1.00  0.00           C  
HETATM    4  C   UNL     1       1.669   0.374   0.002  1.00  0.00           C  
HETATM    5  C   UNL     1       1.849  -1.008  -0.010  1.00  0.00           C  
HETATM    6  N   UNL     1       0.432   0.864   0.033  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.615   0.063   0.048  1.00  0.00           C  
HETATM    8  S   UNL     1      -2.229   0.767   0.088  1.00  0.00           S  
HETATM    9  C   UNL     1      -2.681   0.965  -1.657  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.032  -0.232   0.701  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.043   2.036   0.702  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.490  -1.247   0.032  1.00  0.00           N  
HETATM   13  C   UNL     1       0.715  -1.820   0.006  1.00  0.00           C  
HETATM   14  C   UNL     1       0.846  -3.292  -0.007  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.238  -4.055   0.009  1.00  0.00           C  
HETATM   16  H   UNL     1       4.523   0.467   0.837  1.00  0.00           H  
HETATM   17  H   UNL     1       4.076  -0.240  -0.734  1.00  0.00           H  
HETATM   18  H   UNL     1       4.749   1.406  -0.658  1.00  0.00           H  
HETATM   19  H   UNL     1       3.532   3.174   0.080  1.00  0.00           H  
HETATM   20  H   UNL     1       1.945   3.026  -0.712  1.00  0.00           H  
HETATM   21  H   UNL     1       2.073   2.892   1.058  1.00  0.00           H  
HETATM   22  H   UNL     1       2.839  -1.438  -0.031  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.674  -0.009  -2.147  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.678   1.400  -1.728  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.962   1.623  -2.146  1.00  0.00           H  
HETATM   26  H   UNL     1       1.826  -3.746  -0.028  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.142  -5.130  -0.001  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.218  -3.600   0.030  1.00  0.00           H  
CONECT    1    2   16   17   18                                       
CONECT    2    1    3    4                                            
CONECT    3    2   19   20   21                                       
CONECT    4    2    5    5    6                                       
CONECT    5    4    4   13   22                                       
CONECT    6    4    7    7                                            
CONECT    7    6    6    8   12                                       
CONECT    8    7    9   10   10                                       
CONECT    8   11   11                                                 
CONECT    9    8   23   24   25                                       
CONECT   10    8    8                                                 
CONECT   11    8    8                                                 
CONECT   12    7   13   13                                            
CONECT   13    5   12   12   14                                       
CONECT   14   13   15   15   26                                       
CONECT   15   14   14   27   28                                       
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    3                                                      
CONECT   20    3                                                      
CONECT   21    3                                                      
CONECT   22    5                                                      
CONECT   23    9                                                      
CONECT   24    9                                                      
CONECT   25    9                                                      
CONECT   26   14                                                      
CONECT   27   15                                                      
CONECT   28   15                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
