COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.290  -1.138  -0.151  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.577   0.808   0.475  1.00  0.00           C  
HETATM    3  C   UNL     1       0.632   2.694   0.988  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.525   2.080   0.856  1.00  0.00           N  
HETATM    5  C   UNL     1       1.831   0.822   0.369  1.00  0.00           C  
HETATM    6  O2* UNL     1      -3.696   2.200  -0.765  1.00  0.00           O  
HETATM    7  C2* UNL     1      -3.589   0.781  -0.901  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.005  -1.269  -0.131  1.00  0.00           C  
HETATM    9  C   UNL     1       0.622   0.123   0.214  1.00  0.00           C  
HETATM   10  N   UNL     1       1.784   2.093   0.755  1.00  0.00           N  
HETATM   11  C1* UNL     1      -3.022   0.155   0.392  1.00  0.00           C  
HETATM   12  C5* UNL     1      -5.845  -2.076  -0.200  1.00  0.00           C  
HETATM   13  O4* UNL     1      -3.736  -1.091   0.542  1.00  0.00           O  
HETATM   14  C4* UNL     1      -5.102  -0.793   0.179  1.00  0.00           C  
HETATM   15  N   UNL     1       3.044   0.200   0.126  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.585  -0.096   0.250  1.00  0.00           N  
HETATM   17  C3* UNL     1      -4.989   0.144  -1.044  1.00  0.00           C  
HETATM   18  O3* UNL     1      -6.004   1.149  -1.001  1.00  0.00           O  
HETATM   19  C   UNL     1       4.295   0.944   0.293  1.00  0.00           C  
HETATM   20  C   UNL     1       5.460   0.046  -0.031  1.00  0.00           C  
HETATM   21  C   UNL     1       5.943  -0.021  -1.325  1.00  0.00           C  
HETATM   22  C   UNL     1       7.012  -0.845  -1.622  1.00  0.00           C  
HETATM   23  C   UNL     1       7.599  -1.603  -0.626  1.00  0.00           C  
HETATM   24  C   UNL     1       7.117  -1.536   0.668  1.00  0.00           C  
HETATM   25  C   UNL     1       6.051  -0.707   0.967  1.00  0.00           C  
HETATM   26  O5* UNL     1      -5.976  -2.908   0.955  1.00  0.00           O  
HETATM   27  H   UNL     1       0.639   3.728   1.299  1.00  0.00           H  
HETATM   28  H2* UNL     1      -4.047   2.645  -1.548  1.00  0.00           H  
HETATM   29  H2* UNL     1      -2.962   0.527  -1.756  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.540  -2.174  -0.379  1.00  0.00           H  
HETATM   31  H1* UNL     1      -3.211   0.807   1.245  1.00  0.00           H  
HETATM   32 H5*1 UNL     1      -6.835  -1.823  -0.580  1.00  0.00           H  
HETATM   33 H5*2 UNL     1      -5.285  -2.607  -0.969  1.00  0.00           H  
HETATM   34  H4* UNL     1      -5.611  -0.288   0.999  1.00  0.00           H  
HETATM   35  H   UNL     1       3.065  -0.728  -0.155  1.00  0.00           H  
HETATM   36  H3* UNL     1      -5.056  -0.425  -1.972  1.00  0.00           H  
HETATM   37  H3* UNL     1      -6.903   0.804  -1.087  1.00  0.00           H  
HETATM   38  H   UNL     1       4.299   1.803  -0.379  1.00  0.00           H  
HETATM   39  H   UNL     1       4.377   1.289   1.324  1.00  0.00           H  
HETATM   40  H   UNL     1       5.484   0.571  -2.103  1.00  0.00           H  
HETATM   41  H   UNL     1       7.389  -0.898  -2.633  1.00  0.00           H  
HETATM   42  H   UNL     1       8.434  -2.247  -0.858  1.00  0.00           H  
HETATM   43  H   UNL     1       7.575  -2.128   1.447  1.00  0.00           H  
HETATM   44  H   UNL     1       5.674  -0.654   1.978  1.00  0.00           H  
HETATM   45  H5* UNL     1      -6.439  -3.741   0.788  1.00  0.00           H  
CONECT    1    8    8    9                                            
CONECT    2    9   16    4    4                                       
CONECT    3   10   10    4   27                                       
CONECT    4    2    2    3                                            
CONECT    5   15    9    9   10                                       
CONECT    6    7   28                                                 
CONECT    7    6   11   17   29                                       
CONECT    8    1    1   16   30                                       
CONECT    9    1    5    5    2                                       
CONECT   10    5    3    3                                            
CONECT   11   16    7   13   31                                       
CONECT   12   26   14   32   33                                       
CONECT   13   11   14                                                 
CONECT   14   17   13   12   34                                       
CONECT   15   19    5   35                                            
CONECT   16    8    2   11                                            
CONECT   17    7   18   14   36                                       
CONECT   18   17   37                                                 
CONECT   19   20   15   38   39                                       
CONECT   20   21   21   25   19                                       
CONECT   21   22   20   20   40                                       
CONECT   22   23   23   21   41                                       
CONECT   23   22   22   24   42                                       
CONECT   24   23   25   25   43                                       
CONECT   25   24   24   20   44                                       
CONECT   26   12   45                                                 
CONECT   27    3                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
