COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.488  -1.820  -0.992  1.00  0.00           O  
HETATM    2  C   UNL     1       2.897  -0.749  -0.581  1.00  0.00           C  
HETATM    3  C   UNL     1       4.053  -0.690   0.228  1.00  0.00           C  
HETATM    4  N   UNL     1       2.255   0.395  -0.896  1.00  0.00           N  
HETATM    5  N   UNL     1       4.935  -1.627   0.727  1.00  0.00           N  
HETATM    6  C   UNL     1       4.498   0.545   0.683  1.00  0.00           C  
HETATM    7  C   UNL     1       4.881  -3.075   0.516  1.00  0.00           C  
HETATM    8  C   UNL     1       5.857  -0.956   1.446  1.00  0.00           C  
HETATM    9  N   UNL     1       5.593   0.326   1.416  1.00  0.00           N  
HETATM   10  N   UNL     1       3.792   1.683   0.328  1.00  0.00           N  
HETATM   11  C   UNL     1       4.240   2.997   0.795  1.00  0.00           C  
HETATM   12  C   UNL     1       2.696   1.583  -0.449  1.00  0.00           C  
HETATM   13  O   UNL     1       2.092   2.593  -0.753  1.00  0.00           O  
HETATM   14  C   UNL     1       1.058   0.341  -1.739  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.182   0.184  -0.856  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.431   0.128  -1.737  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.618  -0.022  -0.891  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.258   1.079  -0.440  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.059  -1.252  -0.580  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.859   2.192  -0.728  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.441   0.902   0.404  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.303   1.751   1.015  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.852  -0.391   0.701  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.199   1.059   1.656  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.955  -0.273   1.486  1.00  0.00           N  
HETATM   26  N   UNL     1      -4.142  -1.454   0.191  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.570  -2.822   0.493  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.458  -2.217  -1.011  1.00  0.00           O  
HETATM   29  H   UNL     1       5.450  -3.334  -0.377  1.00  0.00           H  
HETATM   30  H   UNL     1       5.308  -3.585   1.380  1.00  0.00           H  
HETATM   31  H   UNL     1       3.843  -3.385   0.388  1.00  0.00           H  
HETATM   32  H   UNL     1       6.688  -1.407   1.968  1.00  0.00           H  
HETATM   33  H   UNL     1       4.934   3.423   0.070  1.00  0.00           H  
HETATM   34  H   UNL     1       3.378   3.657   0.904  1.00  0.00           H  
HETATM   35  H   UNL     1       4.740   2.890   1.757  1.00  0.00           H  
HETATM   36  H   UNL     1       0.979   1.262  -2.317  1.00  0.00           H  
HETATM   37  H   UNL     1       1.130  -0.509  -2.418  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.102  -0.737  -0.279  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.254   1.034  -0.177  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.511   1.049  -2.314  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.360  -0.722  -2.416  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.012   1.474   2.233  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.474  -1.003   1.858  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.895  -3.529   0.011  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.550  -2.979   1.572  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.583  -2.976   0.123  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2    5    6    6                                       
CONECT    4    2   12   14                                            
CONECT    5    3    7    8                                            
CONECT    6    3    3    9   10                                       
CONECT    7    5   29   30   31                                       
CONECT    8    5    9    9   32                                       
CONECT    9    6    8    8                                            
CONECT   10    6   11   12                                            
CONECT   11   10   33   34   35                                       
CONECT   12    4   10   13   13                                       
CONECT   13   12   12                                                 
CONECT   14    4   15   36   37                                       
CONECT   15   14   16   38   39                                       
CONECT   16   15   17   40   41                                       
CONECT   17   16   18   19                                            
CONECT   18   17   20   20   21                                       
CONECT   19   17   26   28   28                                       
CONECT   20   18   18                                                 
CONECT   21   18   22   23   23                                       
CONECT   22   21   24   24                                            
CONECT   23   21   21   25   26                                       
CONECT   24   22   22   25   42                                       
CONECT   25   23   24   43                                            
CONECT   26   19   23   27                                            
CONECT   27   26   44   45   46                                       
CONECT   28   19   19                                                 
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
