COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.591   4.664  -1.350  1.00  0.00           C  
HETATM    2  C   UNL     1       3.183   3.895  -3.569  1.00  0.00           C  
HETATM    3  C   UNL     1       4.066   6.046  -2.694  1.00  0.00           C  
HETATM    4  C   UNL     1       3.313   5.785  -1.443  1.00  0.00           C  
HETATM    5  N   UNL     1       2.517   3.745  -2.361  1.00  0.00           N  
HETATM    6  N   UNL     1       3.939   5.067  -3.670  1.00  0.00           N  
HETATM    7  O   UNL     1       0.210   2.495  12.369  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.887   2.478  11.564  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.036   2.493  12.019  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.541   2.442  10.152  1.00  0.00           C  
HETATM   11  C   UNL     1       0.799   2.429   9.762  1.00  0.00           C  
HETATM   12  C   UNL     1       1.131   2.396   8.408  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.548   2.421   9.187  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.216   2.388   7.833  1.00  0.00           C  
HETATM   15  C   UNL     1       0.124   2.375   7.442  1.00  0.00           C  
HETATM   16  C   UNL     1       0.470   2.340   6.031  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.455   2.320   5.130  1.00  0.00           N  
HETATM   18  O   UNL     1       0.154   2.288   3.869  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.874   2.266   2.885  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.239   2.231   1.508  1.00  0.00           C  
HETATM   21  O   UNL     1       0.550   3.398   1.332  1.00  0.00           O  
HETATM   22  N   UNL     1       1.126   3.346   0.055  1.00  0.00           N  
HETATM   23  C   UNL     1       1.848   4.404  -0.117  1.00  0.00           C  
HETATM   24  O   UNL     1       4.741   7.064  -2.818  1.00  0.00           O  
HETATM   25  O   UNL     1       3.115   3.067  -4.478  1.00  0.00           O  
HETATM   26  H   UNL     1       3.379   6.519  -0.648  1.00  0.00           H  
HETATM   27  H   UNL     1       1.948   2.915  -2.220  1.00  0.00           H  
HETATM   28  H   UNL     1       4.442   5.215  -4.540  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.013   2.519  13.324  1.00  0.00           H  
HETATM   30  H   UNL     1       1.592   2.446  10.505  1.00  0.00           H  
HETATM   31  H   UNL     1       2.178   2.386   8.116  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.595   2.432   9.479  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.009   2.372   7.089  1.00  0.00           H  
HETATM   34  H   UNL     1       1.542   2.331   5.761  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.491   1.379   3.058  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.481   3.168   3.004  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.002   2.213   0.723  1.00  0.00           H  
HETATM   38  H   UNL     1       0.413   1.358   1.409  1.00  0.00           H  
HETATM   39  H   UNL     1       1.944   5.179   0.666  1.00  0.00           H  
CONECT    1    4    4    5   23                                       
CONECT    2    6   25   25    5                                       
CONECT    3   24   24    6    4                                       
CONECT    4    1    1    3   26                                       
CONECT    5    1    2   27                                            
CONECT    6    2    3   28                                            
CONECT    7    8   29                                                 
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   13   13                                       
CONECT   11   10   12   12   30                                       
CONECT   12   11   11   15   31                                       
CONECT   13   10   10   14   32                                       
CONECT   14   13   15   15   33                                       
CONECT   15   12   14   14   16                                       
CONECT   16   15   17   17   34                                       
CONECT   17   16   16   18                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   35   36                                       
CONECT   20   19   21   37   38                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   23                                            
CONECT   23    1   22   22   39                                       
CONECT   24    3    3                                                 
CONECT   25    2    2                                                 
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   16                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
