COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.408  -1.511  -1.009  1.00  0.00           N  
HETATM    2  C   UNL     1       1.328  -2.234  -1.242  1.00  0.00           C  
HETATM    3  N   UNL     1       0.112  -1.775  -1.034  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.077  -0.543  -0.572  1.00  0.00           C  
HETATM    5  C   UNL     1       1.040   0.266  -0.308  1.00  0.00           C  
HETATM    6  C   UNL     1       2.318  -0.269  -0.546  1.00  0.00           C  
HETATM    7  N   UNL     1       0.574   1.454   0.146  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.727   1.426   0.177  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.177   0.215  -0.257  1.00  0.00           N  
HETATM   10  C1* UNL     1      -2.577  -0.201  -0.368  1.00  0.00           C  
HETATM   11  N   UNL     1       3.455   0.481  -0.304  1.00  0.00           N  
HETATM   12  C   UNL     1       4.779  -0.093  -0.558  1.00  0.00           C  
HETATM   13  C   UNL     1       5.840   0.921  -0.216  1.00  0.00           C  
HETATM   14  C   UNL     1       6.813   0.600   0.601  1.00  0.00           C  
HETATM   15  C   UNL     1       7.776   1.657   1.078  1.00  0.00           C  
HETATM   16  C   UNL     1       6.969  -0.826   1.064  1.00  0.00           C  
HETATM   17  C2* UNL     1      -3.035  -0.898   0.932  1.00  0.00           C  
HETATM   18  O2* UNL     1      -2.979  -2.318   0.786  1.00  0.00           O  
HETATM   19  C3* UNL     1      -4.497  -0.430   1.114  1.00  0.00           C  
HETATM   20  O3* UNL     1      -5.387  -1.546   1.086  1.00  0.00           O  
HETATM   21  C4* UNL     1      -4.748   0.495  -0.098  1.00  0.00           C  
HETATM   22  O4* UNL     1      -3.436   0.953  -0.491  1.00  0.00           O  
HETATM   23  C5* UNL     1      -5.627   1.679   0.309  1.00  0.00           C  
HETATM   24  O5* UNL     1      -5.943   2.457  -0.847  1.00  0.00           O  
HETATM   25  H   UNL     1       1.447  -3.240  -1.618  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.357   2.242   0.498  1.00  0.00           H  
HETATM   27  H1* UNL     1      -2.709  -0.865  -1.223  1.00  0.00           H  
HETATM   28  H   UNL     1       3.376   1.387   0.034  1.00  0.00           H  
HETATM   29  H   UNL     1       4.914  -0.982   0.057  1.00  0.00           H  
HETATM   30  H   UNL     1       4.861  -0.363  -1.611  1.00  0.00           H  
HETATM   31  H   UNL     1       5.799   1.911  -0.644  1.00  0.00           H  
HETATM   32  H   UNL     1       7.398   2.105   1.996  1.00  0.00           H  
HETATM   33  H   UNL     1       8.748   1.202   1.269  1.00  0.00           H  
HETATM   34  H   UNL     1       7.879   2.426   0.313  1.00  0.00           H  
HETATM   35  H   UNL     1       6.249  -1.457   0.544  1.00  0.00           H  
HETATM   36  H   UNL     1       7.979  -1.171   0.845  1.00  0.00           H  
HETATM   37  H   UNL     1       6.792  -0.880   2.138  1.00  0.00           H  
HETATM   38  H2* UNL     1      -2.423  -0.575   1.775  1.00  0.00           H  
HETATM   39  H2* UNL     1      -3.257  -2.806   1.573  1.00  0.00           H  
HETATM   40  H3* UNL     1      -4.607   0.124   2.046  1.00  0.00           H  
HETATM   41  H3* UNL     1      -6.319  -1.309   1.196  1.00  0.00           H  
HETATM   42  H4* UNL     1      -5.214  -0.063  -0.910  1.00  0.00           H  
HETATM   43 H5*1 UNL     1      -6.547   1.311   0.762  1.00  0.00           H  
HETATM   44 H5*2 UNL     1      -5.091   2.299   1.028  1.00  0.00           H  
HETATM   45  H5* UNL     1      -6.499   3.227  -0.664  1.00  0.00           H  
CONECT    1    6    6    2                                            
CONECT    2    1    3    3   25                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    7    6                                       
CONECT    6    1    1    5   11                                       
CONECT    7    5    8    8                                            
CONECT    8    7    7    9   26                                       
CONECT    9    4    8   10                                            
CONECT   10    9   17   22   27                                       
CONECT   11    6   12   28                                            
CONECT   12   11   13   29   30                                       
CONECT   13   12   14   14   31                                       
CONECT   14   13   13   15   16                                       
CONECT   15   14   32   33   34                                       
CONECT   16   14   35   36   37                                       
CONECT   17   10   18   19   38                                       
CONECT   18   17   39                                                 
CONECT   19   17   21   20   40                                       
CONECT   20   19   41                                                 
CONECT   21   19   23   22   42                                       
CONECT   22   10   21                                                 
CONECT   23   21   24   43   44                                       
CONECT   24   23   45                                                 
CONECT   25    2                                                      
CONECT   26    8                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
