COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.882   0.159  -0.004  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.919  -0.533   0.503  1.00  0.00           C  
HETATM    3  S   UNL     1      -1.624  -1.972   1.382  1.00  0.00           S  
HETATM    4  N   UNL     1      -3.184  -0.109   0.329  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.434   1.022  -0.361  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.578   1.407  -0.519  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.352   1.760  -0.900  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.092   1.312  -0.710  1.00  0.00           C  
HETATM    9  C1* UNL     1       0.485  -0.324   0.207  1.00  0.00           C  
HETATM   10  C2* UNL     1       1.136  -0.725  -1.141  1.00  0.00           C  
HETATM   11  O2* UNL     1       0.817  -2.077  -1.478  1.00  0.00           O  
HETATM   12  C3* UNL     1       2.645  -0.576  -0.829  1.00  0.00           C  
HETATM   13  O3* UNL     1       3.216  -1.844  -0.500  1.00  0.00           O  
HETATM   14  C4* UNL     1       2.688   0.367   0.389  1.00  0.00           C  
HETATM   15  O4* UNL     1       1.332   0.743   0.686  1.00  0.00           O  
HETATM   16  C5* UNL     1       3.511   1.613   0.054  1.00  0.00           C  
HETATM   17  O5* UNL     1       3.643   2.425   1.222  1.00  0.00           O  
HETATM   18  H   UNL     1      -3.920  -0.619   0.701  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.531   2.668  -1.456  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.254   1.861  -1.114  1.00  0.00           H  
HETATM   21  H1* UNL     1       0.491  -1.163   0.902  1.00  0.00           H  
HETATM   22  H2* UNL     1       0.834  -0.045  -1.937  1.00  0.00           H  
HETATM   23  H2* UNL     1       1.202  -2.375  -2.314  1.00  0.00           H  
HETATM   24  H3* UNL     1       3.168  -0.132  -1.676  1.00  0.00           H  
HETATM   25  H3* UNL     1       4.161  -1.809  -0.295  1.00  0.00           H  
HETATM   26  H4* UNL     1       3.125  -0.150   1.243  1.00  0.00           H  
HETATM   27 H5*1 UNL     1       4.500   1.312  -0.293  1.00  0.00           H  
HETATM   28 H5*2 UNL     1       3.009   2.181  -0.729  1.00  0.00           H  
HETATM   29  H5* UNL     1       4.154   3.234   1.083  1.00  0.00           H  
CONECT    1    2    8    9                                            
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   18                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    8   19                                       
CONECT    8    1    7    7   20                                       
CONECT    9    1   10   15   21                                       
CONECT   10    9   11   12   22                                       
CONECT   11   10   23                                                 
CONECT   12   10   13   14   24                                       
CONECT   13   12   25                                                 
CONECT   14   12   15   16   26                                       
CONECT   15    9   14                                                 
CONECT   16   14   17   27   28                                       
CONECT   17   16   29                                                 
CONECT   18    4                                                      
CONECT   19    7                                                      
CONECT   20    8                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
CONECT   23   11                                                      
CONECT   24   12                                                      
CONECT   25   13                                                      
CONECT   26   14                                                      
CONECT   27   16                                                      
CONECT   28   16                                                      
CONECT   29   17                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
