COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.461  -0.497   0.825  1.00  0.00           C  
HETATM    2  C   UNL     1       6.270  -0.615   0.141  1.00  0.00           C  
HETATM    3  C   UNL     1       6.535  -1.859  -0.457  1.00  0.00           C  
HETATM    4  C   UNL     1       7.837  -2.379  -0.357  1.00  0.00           C  
HETATM    5  N   UNL     1       4.943  -0.357  -0.094  1.00  0.00           N  
HETATM    6  C   UNL     1       4.443  -1.407  -0.805  1.00  0.00           C  
HETATM    7  C   UNL     1       4.201   0.829   0.339  1.00  0.00           C  
HETATM    8  C   UNL     1       4.316   1.951  -0.717  1.00  0.00           C  
HETATM    9  C   UNL     1       2.923   2.619  -0.709  1.00  0.00           C  
HETATM   10  C   UNL     1       2.131   1.823   0.351  1.00  0.00           C  
HETATM   11  C   UNL     1       0.675   1.655  -0.087  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.493   0.823   0.600  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.253   0.141   1.739  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.662  -0.038   1.352  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.785  -0.180   1.044  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.156  -0.354   0.667  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.295  -0.909   0.734  1.00  0.00           C  
HETATM   18  C   UNL     1     -10.478  -1.151   0.055  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.031  -0.141  -1.432  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.993  -0.296  -0.495  1.00  0.00           C  
HETATM   21  N   UNL     1       8.757  -1.664   0.283  1.00  0.00           N  
HETATM   22  N   UNL     1       7.254   0.024   0.766  1.00  0.00           N  
HETATM   23  N   UNL     1       8.157  -3.599  -0.926  1.00  0.00           N  
HETATM   24  N   UNL     1       5.378  -2.287  -1.016  1.00  0.00           N  
HETATM   25  N   UNL     1      -0.087   1.001   0.986  1.00  0.00           N  
HETATM   26  N   UNL     1      -7.124  -0.932   1.450  1.00  0.00           N  
HETATM   27  N   UNL     1      -9.540  -1.315   0.964  1.00  0.00           N  
HETATM   28  N   UNL     1     -10.243  -0.585  -1.114  1.00  0.00           N  
HETATM   29  N   UNL     1      -6.680   0.021  -0.477  1.00  0.00           N  
HETATM   30  N   UNL     1      -8.794   0.451  -2.660  1.00  0.00           N  
HETATM   31  O   UNL     1       2.788   0.538   0.415  1.00  0.00           O  
HETATM   32  O   UNL     1       3.029   3.993  -0.327  1.00  0.00           O  
HETATM   33  O   UNL     1       5.325   2.891  -0.342  1.00  0.00           O  
HETATM   34  H   UNL     1       9.238   0.048   1.340  1.00  0.00           H  
HETATM   35  H   UNL     1       3.421  -1.496  -1.142  1.00  0.00           H  
HETATM   36  H   UNL     1       4.569   1.176   1.304  1.00  0.00           H  
HETATM   37  H   UNL     1       4.534   1.530  -1.699  1.00  0.00           H  
HETATM   38  H   UNL     1       2.450   2.529  -1.687  1.00  0.00           H  
HETATM   39  H   UNL     1       2.182   2.323   1.318  1.00  0.00           H  
HETATM   40  H   UNL     1       0.243   2.634  -0.295  1.00  0.00           H  
HETATM   41  H   UNL     1       0.635   1.041  -0.987  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.548   0.204  -0.296  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.940   1.796   0.396  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.806  -0.832   1.942  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.197   0.760   2.635  1.00  0.00           H  
HETATM   46  H   UNL     1     -11.479  -1.493   0.275  1.00  0.00           H  
HETATM   47  H   UNL     1       7.479  -4.106  -1.400  1.00  0.00           H  
HETATM   48  H   UNL     1       9.059  -3.947  -0.850  1.00  0.00           H  
HETATM   49  H   UNL     1       0.332   0.120   1.242  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.003  -1.291   2.343  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.517   0.546  -3.301  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.905   0.771  -2.881  1.00  0.00           H  
HETATM   53  H   UNL     1       3.568   4.527  -0.927  1.00  0.00           H  
HETATM   54  H   UNL     1       5.440   3.617  -0.970  1.00  0.00           H  
CONECT    1   21   21   22   34                                       
CONECT    2    3    5   22   22                                       
CONECT    3   24    4    4    2                                       
CONECT    4   23    3    3   21                                       
CONECT    5    6    2    7                                            
CONECT    6   24   24    5   35                                       
CONECT    7    8    5   31   36                                       
CONECT    8    9   33    7   37                                       
CONECT    9   32    8   10   38                                       
CONECT   10    9   31   11   39                                       
CONECT   11   10   25   40   41                                       
CONECT   12   25   13   42   43                                       
CONECT   13   12   14   44   45                                       
CONECT   14   15   15   15   13                                       
CONECT   15   16   14   14   14                                       
CONECT   16   29   29   15   26                                       
CONECT   17   20   20   27   26                                       
CONECT   18   28   27   27   46                                       
CONECT   19   30   28   28   20                                       
CONECT   20   19   29   17   17                                       
CONECT   21    4    1    1                                            
CONECT   22    2    2    1                                            
CONECT   23    4   47   48                                            
CONECT   24    6    6    3                                            
CONECT   25   11   12   49                                            
CONECT   26   16   17   50                                            
CONECT   27   18   18   17                                            
CONECT   28   19   19   18                                            
CONECT   29   20   16   16                                            
CONECT   30   19   51   52                                            
CONECT   31    7   10                                                 
CONECT   32    9   53                                                 
CONECT   33    8   54                                                 
CONECT   34    1                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   18                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   32                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
