COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.618   0.769  -0.383  1.00  0.00           C  
HETATM    2  C   UNL     1       6.003   1.668   0.608  1.00  0.00           C  
HETATM    3  C   UNL     1       7.250   2.410   0.412  1.00  0.00           C  
HETATM    4  C   UNL     1       4.137   0.773   1.242  1.00  0.00           C  
HETATM    5  N   UNL     1       7.957   2.186  -0.712  1.00  0.00           N  
HETATM    6  N   UNL     1       6.414   0.623  -1.485  1.00  0.00           N  
HETATM    7  C   UNL     1       7.550   1.332  -1.611  1.00  0.00           C  
HETATM    8  C   UNL     1       2.894  -3.065  -0.309  1.00  0.00           C  
HETATM    9  C   UNL     1       4.174  -2.201  -0.373  1.00  0.00           C  
HETATM   10  C   UNL     1       3.652  -0.781  -0.686  1.00  0.00           C  
HETATM   11  C   UNL     1       1.749  -2.066  -0.589  1.00  0.00           C  
HETATM   12  C   UNL     1       0.525  -2.406   0.264  1.00  0.00           C  
HETATM   13  N   UNL     1       5.061   1.629   1.578  1.00  0.00           N  
HETATM   14  N   UNL     1       4.442   0.222   0.032  1.00  0.00           N  
HETATM   15  O   UNL     1       7.639   3.211   1.247  1.00  0.00           O  
HETATM   16  O   UNL     1       2.927  -4.083  -1.311  1.00  0.00           O  
HETATM   17  O   UNL     1       2.287  -0.776  -0.216  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.558  -1.546  -0.094  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.693  -3.039   0.261  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.855  -1.492   2.071  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.934  -0.430   0.052  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.177  -0.719   1.172  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.873   1.370   1.723  1.00  0.00           O  
HETATM   24  O   UNL     1      -5.004   1.042  -0.627  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.850   2.452   0.361  1.00  0.00           O  
HETATM   26  O   UNL     1      -6.479   2.618  -2.130  1.00  0.00           O  
HETATM   27  O   UNL     1      -7.537   0.470  -1.043  1.00  0.00           O  
HETATM   28  P   UNL     1      -2.007  -1.624   0.605  1.00  0.00           P  
HETATM   29  P   UNL     1      -4.267   0.294   0.593  1.00  0.00           P  
HETATM   30  P   UNL     1      -6.476   1.663  -0.833  1.00  0.00           P  
HETATM   31  H   UNL     1       3.262   0.539   1.830  1.00  0.00           H  
HETATM   32  H   UNL     1       6.158   0.000  -2.183  1.00  0.00           H  
HETATM   33  H   UNL     1       8.153   1.189  -2.496  1.00  0.00           H  
HETATM   34  H   UNL     1       2.781  -3.507   0.681  1.00  0.00           H  
HETATM   35  H   UNL     1       4.692  -2.214   0.586  1.00  0.00           H  
HETATM   36  H   UNL     1       4.832  -2.552  -1.167  1.00  0.00           H  
HETATM   37  H   UNL     1       3.687  -0.592  -1.759  1.00  0.00           H  
HETATM   38  H   UNL     1       1.488  -2.076  -1.647  1.00  0.00           H  
HETATM   39  H   UNL     1       0.238  -3.443   0.090  1.00  0.00           H  
HETATM   40  H   UNL     1       0.767  -2.268   1.317  1.00  0.00           H  
HETATM   41  H   UNL     1       3.645  -4.721  -1.200  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.824  -3.194  -0.685  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.277   2.066   1.413  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.335   3.027  -2.315  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.353  -0.089  -1.810  1.00  0.00           H  
CONECT    1    6   14    2    2                                       
CONECT    2    1    1   13    3                                       
CONECT    3    2    5   15   15                                       
CONECT    4   14   13   13   31                                       
CONECT    5    7    7    3                                            
CONECT    6    1    7   32                                            
CONECT    7    6    5    5   33                                       
CONECT    8   11    9   16   34                                       
CONECT    9   10    8   35   36                                       
CONECT   10   17   14    9   37                                       
CONECT   11   17   12    8   38                                       
CONECT   12   11   18   39   40                                       
CONECT   13    4    4    2                                            
CONECT   14   10    1    4                                            
CONECT   15    3    3                                                 
CONECT   16    8   41                                                 
CONECT   17   11   10                                                 
CONECT   18   12   28                                                 
CONECT   19   28   42                                                 
CONECT   20   28   28                                                 
CONECT   21   28   29                                                 
CONECT   22   29   29                                                 
CONECT   23   29   43                                                 
CONECT   24   29   30                                                 
CONECT   25   30   30                                                 
CONECT   26   30   44                                                 
CONECT   27   30   45                                                 
CONECT   28   18   20   20   19                                       
CONECT   28   21                                                      
CONECT   29   22   22   21   23                                       
CONECT   29   24                                                      
CONECT   30   25   25   24   26                                       
CONECT   30   27                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   16                                                      
CONECT   42   19                                                      
CONECT   43   23                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
