COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O5* UNL     1       2.643   0.806   5.018  1.00  0.00           O  
HETATM    2  C5* UNL     1       1.611  -0.179   4.961  1.00  0.00           C  
HETATM    3  C4* UNL     1       0.425   0.367   4.164  1.00  0.00           C  
HETATM    4  O4* UNL     1       0.834   0.655   2.816  1.00  0.00           O  
HETATM    5  C1* UNL     1      -0.295   0.372   1.963  1.00  0.00           C  
HETATM    6  N   UNL     1       0.143   0.146   0.584  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.594   0.386  -0.555  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.826   0.869  -0.783  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.293   1.006  -1.990  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.548   0.669  -3.095  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.246   0.163  -2.929  1.00  0.00           C  
HETATM   12 SE   UNL     1       0.706  -0.265  -4.275  1.00  0.00          Se  
HETATM   13  C   UNL     1       0.237   0.022  -1.635  1.00  0.00           C  
HETATM   14  N   UNL     1       1.407  -0.418  -1.106  1.00  0.00           N  
HETATM   15  C   UNL     1       1.349  -0.344   0.195  1.00  0.00           C  
HETATM   16  C2* UNL     1      -0.891  -0.923   2.570  1.00  0.00           C  
HETATM   17  O2* UNL     1      -2.279  -1.043   2.252  1.00  0.00           O  
HETATM   18  C3* UNL     1      -0.690  -0.691   4.091  1.00  0.00           C  
HETATM   19  O3* UNL     1      -1.894  -0.201   4.685  1.00  0.00           O  
HETATM   20  H5* UNL     1       3.369   0.422   5.528  1.00  0.00           H  
HETATM   21 H5*1 UNL     1       1.286  -0.424   5.973  1.00  0.00           H  
HETATM   22 H5*2 UNL     1       1.992  -1.077   4.475  1.00  0.00           H  
HETATM   23  H4* UNL     1       0.047   1.273   4.637  1.00  0.00           H  
HETATM   24  H1* UNL     1      -1.020   1.185   2.005  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.291   1.394  -2.127  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.918   0.781  -3.985  1.00  0.00           H  
HETATM   27  H   UNL     1       2.145  -0.632   0.866  1.00  0.00           H  
HETATM   28  H2* UNL     1      -0.339  -1.800   2.232  1.00  0.00           H  
HETATM   29  H2* UNL     1      -2.588  -1.865   2.656  1.00  0.00           H  
HETATM   30  H3* UNL     1      -0.373  -1.613   4.578  1.00  0.00           H  
HETATM   31  H3* UNL     1      -1.710  -0.077   5.626  1.00  0.00           H  
CONECT    1    2   20                                                 
CONECT    2    1    3   21   22                                       
CONECT    3    2    4   18   23                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   16   24                                       
CONECT    6    5    7   15                                            
CONECT    7    6    8   13   13                                       
CONECT    8    7    9    9                                            
CONECT    9    8    8   10   25                                       
CONECT   10    9   11   26                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13    7    7   11   14                                       
CONECT   14   13   15   15                                            
CONECT   15    6   14   14   27                                       
CONECT   16    5   17   18   28                                       
CONECT   17   16   29                                                 
CONECT   18    3   16   19   30                                       
CONECT   19   18   31                                                 
CONECT   20    1                                                      
CONECT   21    2                                                      
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    5                                                      
CONECT   25    9                                                      
CONECT   26   10                                                      
CONECT   27   15                                                      
CONECT   28   16                                                      
CONECT   29   17                                                      
CONECT   30   18                                                      
CONECT   31   19                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
