COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.405  -3.881  -1.837  1.00  0.00           N  
HETATM    2  C   UNL     1       4.011  -3.005  -1.231  1.00  0.00           C  
HETATM    3  C   UNL     1       3.516  -1.900  -0.466  1.00  0.00           C  
HETATM    4  C   UNL     1       4.406  -1.022   0.156  1.00  0.00           C  
HETATM    5  C   UNL     1       3.925   0.041   0.891  1.00  0.00           C  
HETATM    6  C   UNL     1       4.887   0.988   1.562  1.00  0.00           C  
HETATM    7  C   UNL     1       5.227   2.132   0.605  1.00  0.00           C  
HETATM    8  C   UNL     1       6.104   3.157   1.327  1.00  0.00           C  
HETATM    9  N   UNL     1       5.951   1.600  -0.557  1.00  0.00           N  
HETATM   10  C   UNL     1       5.784   2.474  -1.726  1.00  0.00           C  
HETATM   11  C   UNL     1       2.141  -1.693  -0.345  1.00  0.00           C  
HETATM   12  C   UNL     1       1.669  -0.622   0.395  1.00  0.00           C  
HETATM   13  C   UNL     1       2.562   0.242   1.015  1.00  0.00           C  
HETATM   14  O   UNL     1       0.331  -0.416   0.516  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.530  -1.344  -0.148  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.966  -0.959   0.096  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.588  -0.108  -0.766  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.639  -1.482   1.197  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.939  -1.158   1.442  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.611  -0.284   0.573  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.957   0.075   0.793  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.719  -0.469   1.973  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.550   0.928  -0.089  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.821   1.423  -1.180  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.438   2.290  -2.069  1.00  0.00           N  
HETATM   26  N   UNL     1      -4.564   1.083  -1.380  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.927   0.254  -0.544  1.00  0.00           C  
HETATM   28  H   UNL     1       5.471  -1.176   0.062  1.00  0.00           H  
HETATM   29  H   UNL     1       4.429   1.392   2.464  1.00  0.00           H  
HETATM   30  H   UNL     1       5.799   0.452   1.826  1.00  0.00           H  
HETATM   31  H   UNL     1       4.307   2.612   0.272  1.00  0.00           H  
HETATM   32  H   UNL     1       5.567   3.552   2.190  1.00  0.00           H  
HETATM   33  H   UNL     1       7.024   2.677   1.661  1.00  0.00           H  
HETATM   34  H   UNL     1       6.346   3.973   0.646  1.00  0.00           H  
HETATM   35  H   UNL     1       6.928   1.465  -0.344  1.00  0.00           H  
HETATM   36  H   UNL     1       4.725   2.546  -1.977  1.00  0.00           H  
HETATM   37  H   UNL     1       6.171   3.466  -1.497  1.00  0.00           H  
HETATM   38  H   UNL     1       6.330   2.057  -2.572  1.00  0.00           H  
HETATM   39  H   UNL     1       1.447  -2.365  -0.828  1.00  0.00           H  
HETATM   40  H   UNL     1       2.191   1.076   1.591  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.326  -1.327  -1.219  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.352  -2.347   0.240  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.054   0.286  -1.618  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.123  -2.155   1.867  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.451  -1.574   2.296  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.210  -1.401   1.691  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.029  -0.657   2.796  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.470   0.256   2.287  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.579   1.222   0.052  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.363   2.548  -1.932  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.944   2.639  -2.827  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    1    1    1    3                                       
CONECT    3    2   11   11    4                                       
CONECT    4    3    5    5   28                                       
CONECT    5    4    4   13    6                                       
CONECT    6    5    7   29   30                                       
CONECT    7    8    6    9   31                                       
CONECT    8    7   32   33   34                                       
CONECT    9    7   10   35                                            
CONECT   10    9   36   37   38                                       
CONECT   11    3    3   12   39                                       
CONECT   12   11   14   13   13                                       
CONECT   13   12   12    5   40                                       
CONECT   14   12   15                                                 
CONECT   15   16   14   41   42                                       
CONECT   16   18   18   17   15                                       
CONECT   17   27   27   16   43                                       
CONECT   18   19   16   16   44                                       
CONECT   19   20   20   18   45                                       
CONECT   20   21   19   19   27                                       
CONECT   21   22   23   23   20                                       
CONECT   22   21   46   47   48                                       
CONECT   23   21   21   24   49                                       
CONECT   24   23   25   26   26                                       
CONECT   25   24   50   51                                            
CONECT   26   24   24   27                                            
CONECT   27   20   26   17   17                                       
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
