COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.618   2.697  -0.411  1.00  0.00           N  
HETATM    2  O   UNL     1       0.743   0.202   1.452  1.00  0.00           O  
HETATM    3  O   UNL     1      -1.110  -2.723  -0.862  1.00  0.00           O  
HETATM    4  O   UNL     1      -0.699  -2.079   1.518  1.00  0.00           O  
HETATM    5  C   UNL     1       5.139   1.276  -0.598  1.00  0.00           C  
HETATM    6  C   UNL     1       4.493   1.768   0.522  1.00  0.00           C  
HETATM    7  C   UNL     1       4.544   0.296  -1.372  1.00  0.00           C  
HETATM    8  C   UNL     1       3.250   1.284   0.874  1.00  0.00           C  
HETATM    9  C   UNL     1       3.301  -0.197  -1.032  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.454   0.810  -1.363  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.058   1.429   0.926  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.554  -0.230  -1.234  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.160   0.388   1.049  1.00  0.00           C  
HETATM   14  N   UNL     1       0.730  -1.183  -0.284  1.00  0.00           N  
HETATM   15  C   UNL     1       1.312  -0.228   0.468  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.709   1.644  -0.283  1.00  0.00           C  
HETATM   17  C   UNL     1       2.644   0.295   0.097  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.908  -0.441  -0.029  1.00  0.00           C  
HETATM   19  S   UNL     1      -0.762  -1.770   0.132  1.00  0.00           S  
HETATM   20  H   UNL     1      -5.071   2.847  -1.255  1.00  0.00           H  
HETATM   21  H   UNL     1      -4.798   3.277   0.346  1.00  0.00           H  
HETATM   22  H   UNL     1       6.110   1.661  -0.872  1.00  0.00           H  
HETATM   23  H   UNL     1       4.963   2.533   1.123  1.00  0.00           H  
HETATM   24  H   UNL     1       5.053  -0.084  -2.246  1.00  0.00           H  
HETATM   25  H   UNL     1       2.747   1.669   1.749  1.00  0.00           H  
HETATM   26  H   UNL     1       2.837  -0.961  -1.637  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.954   0.977  -2.306  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.255   2.076   1.768  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.355  -0.879  -2.074  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.653   0.220   1.988  1.00  0.00           H  
HETATM   31  H   UNL     1       1.184  -1.526  -1.069  1.00  0.00           H  
CONECT    1   16   20   21                                            
CONECT    2   15   15                                                 
CONECT    3   19   19                                                 
CONECT    4   19   19                                                 
CONECT    5    6    6    7   22                                       
CONECT    6    5    5    8   23                                       
CONECT    7    5    9    9   24                                       
CONECT    8    6   17   17   25                                       
CONECT    9    7    7   17   26                                       
CONECT   10   12   12   16   27                                       
CONECT   11   13   16   16   28                                       
CONECT   12   10   10   18   29                                       
CONECT   13   11   18   18   30                                       
CONECT   14   15   19   31                                            
CONECT   15    2    2   14   17                                       
CONECT   16    1   10   11   11                                       
CONECT   17    8    8    9   15                                       
CONECT   18   12   13   13   19                                       
CONECT   19    3    3    4    4                                       
CONECT   19   14   18                                                 
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
