COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OXT UNL     1      -3.919   3.316  -0.122  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.320   2.111  -0.174  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.109   2.037  -0.229  1.00  0.00           O  
HETATM    4  CA  UNL     1      -4.138   0.875  -0.163  1.00  0.00           C  
HETATM    5  N   UNL     1      -5.502   0.945   0.024  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.261  -0.163   0.038  1.00  0.00           C  
HETATM    7  O   UNL     1      -7.460  -0.057   0.206  1.00  0.00           O  
HETATM    8  N   UNL     1      -5.729  -1.387  -0.130  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.401  -1.535  -0.318  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.917  -2.641  -0.471  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.552  -0.338  -0.342  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.064  -0.451  -0.555  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.369  -0.642   0.795  1.00  0.00           C  
HETATM   14  C   UNL     1       0.119  -0.755   0.582  1.00  0.00           C  
HETATM   15  C   UNL     1       0.886   0.369   0.599  1.00  0.00           C  
HETATM   16  C   UNL     1       0.689  -2.010   0.377  1.00  0.00           C  
HETATM   17  C   UNL     1       2.029  -2.148   0.183  1.00  0.00           C  
HETATM   18  C   UNL     1       2.853  -1.008   0.188  1.00  0.00           C  
HETATM   19  C   UNL     1       4.238  -1.114  -0.009  1.00  0.00           C  
HETATM   20  C   UNL     1       2.273   0.269   0.402  1.00  0.00           C  
HETATM   21  C   UNL     1       3.092   1.413   0.414  1.00  0.00           C  
HETATM   22  C   UNL     1       4.431   1.292   0.221  1.00  0.00           C  
HETATM   23  C   UNL     1       5.017   0.032   0.004  1.00  0.00           C  
HETATM   24  C   UNL     1       6.475  -0.072  -0.202  1.00  0.00           C  
HETATM   25  O   UNL     1       6.988  -1.158  -0.382  1.00  0.00           O  
HETATM   26  O   UNL     1       7.238   1.039  -0.191  1.00  0.00           O  
HETATM   27  C   UNL     1       8.664   0.862  -0.401  1.00  0.00           C  
HETATM   28  HXT UNL     1      -3.344   4.093  -0.132  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.304  -2.168  -0.115  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.853  -1.307  -1.196  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.694   0.458  -1.029  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.580   0.214   1.436  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.738  -1.551   1.269  1.00  0.00           H  
HETATM   34  H   UNL     1       0.430   1.334   0.763  1.00  0.00           H  
HETATM   35  H   UNL     1       0.058  -2.887   0.372  1.00  0.00           H  
HETATM   36  H   UNL     1       2.457  -3.127   0.025  1.00  0.00           H  
HETATM   37  H   UNL     1       4.693  -2.080  -0.168  1.00  0.00           H  
HETATM   38  H   UNL     1       2.656   2.387   0.576  1.00  0.00           H  
HETATM   39  H   UNL     1       5.052   2.175   0.232  1.00  0.00           H  
HETATM   40  H   UNL     1       8.833   0.400  -1.373  1.00  0.00           H  
HETATM   41  H   UNL     1       9.159   1.832  -0.368  1.00  0.00           H  
HETATM   42  H   UNL     1       9.069   0.220   0.382  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.922   1.811   0.148  1.00  0.00           H  
CONECT    1    2   28                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   11   11                                       
CONECT    5    6    4   43                                            
CONECT    6    7    7    5    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   29                                            
CONECT    9    8   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    4    4    9   12                                       
CONECT   12   11   13   30   31                                       
CONECT   13   12   14   32   33                                       
CONECT   14   16   13   15   15                                       
CONECT   15   14   14   20   34                                       
CONECT   16   17   17   14   35                                       
CONECT   17   16   16   18   36                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18   23   37                                       
CONECT   20   18   15   21   21                                       
CONECT   21   20   20   22   38                                       
CONECT   22   23   23   21   39                                       
CONECT   23   19   24   22   22                                       
CONECT   24   26   23   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   27   24                                                 
CONECT   27   26   40   41   42                                       
CONECT   28    1                                                      
CONECT   29    8                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   27                                                      
CONECT   41   27                                                      
CONECT   42   27                                                      
CONECT   43    5                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
