COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.833   0.902  -0.040  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.525  -0.408  -0.114  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.591  -0.884  -1.137  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.335   1.689  -0.821  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.186  -0.844  -0.593  1.00  0.00           C  
HETATM    6  C   UNL     1       0.404  -1.906  -0.037  1.00  0.00           C  
HETATM    7  S   UNL     1       2.025  -1.426   0.460  1.00  0.00           S  
HETATM    8  C   UNL     1       1.748   0.154  -0.128  1.00  0.00           C  
HETATM    9  N   UNL     1       0.562   0.240  -0.631  1.00  0.00           N  
HETATM   10  C   UNL     1       2.745   1.283  -0.075  1.00  0.00           C  
HETATM   11  C   UNL     1       3.116   1.566   1.382  1.00  0.00           C  
HETATM   12  C   UNL     1       4.002   0.890  -0.854  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.125  -1.356   0.828  1.00  0.00           C  
HETATM   14  H   UNL     1      -1.844  -1.908  -1.413  1.00  0.00           H  
HETATM   15  H   UNL     1      -1.658  -0.244  -2.017  1.00  0.00           H  
HETATM   16  H   UNL     1      -0.034  -2.885   0.086  1.00  0.00           H  
HETATM   17  H   UNL     1       2.307   2.177  -0.518  1.00  0.00           H  
HETATM   18  H   UNL     1       3.555   0.672   1.826  1.00  0.00           H  
HETATM   19  H   UNL     1       3.838   2.382   1.421  1.00  0.00           H  
HETATM   20  H   UNL     1       2.221   1.846   1.938  1.00  0.00           H  
HETATM   21  H   UNL     1       3.738   0.688  -1.892  1.00  0.00           H  
HETATM   22  H   UNL     1       4.724   1.706  -0.815  1.00  0.00           H  
HETATM   23  H   UNL     1       4.440  -0.004  -0.410  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.058  -1.738   0.414  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.437  -2.184   0.998  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.327  -0.851   1.773  1.00  0.00           H  
HETATM   27  O   UNL     1      -3.695   1.339   0.897  1.00  0.00           O  
HETATM   28  H   UNL     1      -3.885   2.287   0.911  1.00  0.00           H  
CONECT    1    2    4    4   27                                       
CONECT    2    1    3   13                                            
CONECT    3    2    5   14   15                                       
CONECT    4    1    1                                                 
CONECT    5    3    6    6    9                                       
CONECT    6    5    5    7   16                                       
CONECT    7    6    8                                                 
CONECT    8    7    9    9   10                                       
CONECT    9    5    8    8                                            
CONECT   10    8   11   12   17                                       
CONECT   11   10   18   19   20                                       
CONECT   12   10   21   22   23                                       
CONECT   13    2   24   25   26                                       
CONECT   14    3                                                      
CONECT   15    3                                                      
CONECT   16    6                                                      
CONECT   17   10                                                      
CONECT   18   11                                                      
CONECT   19   11                                                      
CONECT   20   11                                                      
CONECT   21   12                                                      
CONECT   22   12                                                      
CONECT   23   12                                                      
CONECT   24   13                                                      
CONECT   25   13                                                      
CONECT   26   13                                                      
CONECT   27    1   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
