COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  I   UNL     1      -0.997   0.555   2.983  1.00  0.00           I  
HETATM    2  N   UNL     1       3.474  -0.478   1.151  1.00  0.00           N  
HETATM    3  C   UNL     1       3.409   0.065  -0.046  1.00  0.00           C  
HETATM    4  N   UNL     1       2.263   0.276  -0.661  1.00  0.00           N  
HETATM    5  C   UNL     1       1.108  -0.059  -0.087  1.00  0.00           C  
HETATM    6  C   UNL     1       1.141  -0.647   1.173  1.00  0.00           C  
HETATM    7  C   UNL     1       2.364  -0.844   1.793  1.00  0.00           C  
HETATM    8  N   UNL     1       2.433  -1.417   3.054  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.286  -0.927   1.580  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.029  -0.834   0.298  1.00  0.00           N  
HETATM   11  N   UNL     1      -0.206   0.063  -0.513  1.00  0.00           N  
HETATM   12  C1* UNL     1      -0.254  -0.448  -1.889  1.00  0.00           C  
HETATM   13  C2* UNL     1      -1.682  -0.314  -2.463  1.00  0.00           C  
HETATM   14  C3* UNL     1      -1.455   0.063  -3.945  1.00  0.00           C  
HETATM   15  C4* UNL     1       0.082   0.108  -4.090  1.00  0.00           C  
HETATM   16  O4* UNL     1       0.571   0.360  -2.755  1.00  0.00           O  
HETATM   17  O2* UNL     1      -2.386  -1.554  -2.364  1.00  0.00           O  
HETATM   18  O3* UNL     1      -2.010  -0.932  -4.807  1.00  0.00           O  
HETATM   19  C5* UNL     1       0.497   1.241  -5.032  1.00  0.00           C  
HETATM   20  O5* UNL     1       1.923   1.310  -5.094  1.00  0.00           O  
HETATM   21  H   UNL     1       4.326   0.349  -0.541  1.00  0.00           H  
HETATM   22  H   UNL     1       3.294  -1.555   3.478  1.00  0.00           H  
HETATM   23  H   UNL     1       1.619  -1.676   3.514  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.373  -1.928   2.003  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.887  -0.341   0.495  1.00  0.00           H  
HETATM   26  H1* UNL     1       0.070  -1.488  -1.918  1.00  0.00           H  
HETATM   27  H2* UNL     1      -2.227   0.475  -1.946  1.00  0.00           H  
HETATM   28  H3* UNL     1      -1.888   1.039  -4.163  1.00  0.00           H  
HETATM   29  H4* UNL     1       0.456  -0.846  -4.458  1.00  0.00           H  
HETATM   30  H2* UNL     1      -3.243  -1.423  -2.792  1.00  0.00           H  
HETATM   31  H3* UNL     1      -1.785  -0.675  -5.712  1.00  0.00           H  
HETATM   32 H5*1 UNL     1       0.098   1.050  -6.028  1.00  0.00           H  
HETATM   33 H5*2 UNL     1       0.103   2.186  -4.658  1.00  0.00           H  
HETATM   34  H5* UNL     1       2.141   2.035  -5.696  1.00  0.00           H  
CONECT    1    9                                                      
CONECT    2    3    3    7                                            
CONECT    3    2    2    4   21                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4    6   11                                       
CONECT    6    5    7    7    9                                       
CONECT    7    2    6    6    8                                       
CONECT    8    7   22   23                                            
CONECT    9    1    6   10   24                                       
CONECT   10    9   11   25                                            
CONECT   11    5   10   12                                            
CONECT   12   11   13   16   26                                       
CONECT   13   12   14   17   27                                       
CONECT   14   13   15   18   28                                       
CONECT   15   14   16   19   29                                       
CONECT   16   12   15                                                 
CONECT   17   13   30                                                 
CONECT   18   14   31                                                 
CONECT   19   15   20   32   33                                       
CONECT   20   19   34                                                 
CONECT   21    3                                                      
CONECT   22    8                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   14                                                      
CONECT   29   15                                                      
CONECT   30   17                                                      
CONECT   31   18                                                      
CONECT   32   19                                                      
CONECT   33   19                                                      
CONECT   34   20                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
