COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.869   0.429   0.443  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.537   1.166  -0.632  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.105   2.349  -0.857  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.017   2.832  -0.024  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.384   2.087   1.115  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.802   0.883   1.328  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.700   0.744  -1.413  1.00  0.00           O  
HETATM    8  N   UNL     1      -6.597   4.056  -0.267  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.227  -0.869   0.665  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.577  -1.844  -0.480  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.643  -2.716  -0.096  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.273  -2.647  -0.700  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.293  -2.063   0.341  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.790  -0.734   0.611  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.877  -1.995  -0.236  1.00  0.00           C  
HETATM   16  O   UNL     1       0.019  -1.493   0.758  1.00  0.00           O  
HETATM   17  P   UNL     1       1.481  -1.449   0.086  1.00  0.00           P  
HETATM   18  O   UNL     1       1.427  -0.655  -1.162  1.00  0.00           O  
HETATM   19  O   UNL     1       1.963  -2.948  -0.252  1.00  0.00           O  
HETATM   20  O   UNL     1       2.522  -0.768   1.109  1.00  0.00           O  
HETATM   21  P   UNL     1       3.778  -0.272   0.234  1.00  0.00           P  
HETATM   22  O   UNL     1       3.291   0.410  -0.986  1.00  0.00           O  
HETATM   23  O   UNL     1       4.676  -1.542  -0.184  1.00  0.00           O  
HETATM   24  O   UNL     1       4.667   0.752   1.102  1.00  0.00           O  
HETATM   25  P   UNL     1       5.554   1.599   0.059  1.00  0.00           P  
HETATM   26  O   UNL     1       4.704   2.034  -1.071  1.00  0.00           O  
HETATM   27  O   UNL     1       6.165   2.891   0.800  1.00  0.00           O  
HETATM   28  O   UNL     1       6.754   0.680  -0.495  1.00  0.00           O  
HETATM   29  H   UNL     1      -7.126   2.466   1.803  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.069   0.292   2.191  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.340   4.568  -1.049  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.267   4.404   0.342  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.533  -1.284   1.625  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.842  -1.293  -1.382  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.772  -3.337  -0.825  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.894  -2.494  -1.710  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.443  -3.707  -0.511  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.302  -2.663   1.251  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.561  -2.993  -0.540  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.869  -1.332  -1.101  1.00  0.00           H  
HETATM   41  H   UNL     1       1.984  -3.429   0.587  1.00  0.00           H  
HETATM   42  H   UNL     1       4.973  -1.956   0.638  1.00  0.00           H  
HETATM   43  H   UNL     1       6.688   3.369   0.142  1.00  0.00           H  
HETATM   44  H   UNL     1       7.282   0.418   0.272  1.00  0.00           H  
CONECT    1    2    6    9                                            
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5    8                                       
CONECT    5    4    6    6   29                                       
CONECT    6    1    5    5   30                                       
CONECT    7    2    2                                                 
CONECT    8    4   31   32                                            
CONECT    9    1   10   14   33                                       
CONECT   10    9   11   12   34                                       
CONECT   11   10   35                                                 
CONECT   12   10   13   36   37                                       
CONECT   13   12   14   15   38                                       
CONECT   14    9   13                                                 
CONECT   15   13   16   39   40                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   18   19                                       
CONECT   17   20                                                      
CONECT   18   17   17                                                 
CONECT   19   17   41                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22   22   23                                       
CONECT   21   24                                                      
CONECT   22   21   21                                                 
CONECT   23   21   42                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   26   27                                       
CONECT   25   28                                                      
CONECT   26   25   25                                                 
CONECT   27   25   43                                                 
CONECT   28   25   44                                                 
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   19                                                      
CONECT   42   23                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
