COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.469 -10.492   6.009  1.00  0.00           C  
HETATM    2  C   UNL     1       0.042 -10.487   5.913  1.00  0.00           C  
HETATM    3  O   UNL     1       0.519  -9.156   6.135  1.00  0.00           O  
HETATM    4  C   UNL     1       1.875  -9.000   6.078  1.00  0.00           C  
HETATM    5  O   UNL     1       2.689  -9.887   5.858  1.00  0.00           O  
HETATM    6  C   UNL     1       2.212  -7.547   6.340  1.00  0.00           C  
HETATM    7  C   UNL     1       3.721  -7.294   6.339  1.00  0.00           C  
HETATM    8  O   UNL     1       4.343  -8.075   7.348  1.00  0.00           O  
HETATM    9  C   UNL     1       4.038  -5.826   6.593  1.00  0.00           C  
HETATM   10  O   UNL     1       4.671  -5.448   7.577  1.00  0.00           O  
HETATM   11  N   UNL     1       3.552  -5.016   5.593  1.00  0.00           N  
HETATM   12  C   UNL     1       3.750  -3.566   5.608  1.00  0.00           C  
HETATM   13  C   UNL     1       5.051  -3.202   4.878  1.00  0.00           C  
HETATM   14  C   UNL     1       5.036  -3.655   3.414  1.00  0.00           C  
HETATM   15  C   UNL     1       6.258  -3.229   2.718  1.00  0.00           C  
HETATM   16  N   UNL     1       7.222  -2.893   2.167  1.00  0.00           N  
HETATM   17  C   UNL     1       2.518  -2.975   4.931  1.00  0.00           C  
HETATM   18  O   UNL     1       1.624  -3.671   4.454  1.00  0.00           O  
HETATM   19  N   UNL     1       2.530  -1.599   4.956  1.00  0.00           N  
HETATM   20  C   UNL     1       1.430  -0.816   4.389  1.00  0.00           C  
HETATM   21  C   UNL     1       1.290   0.515   5.142  1.00  0.00           C  
HETATM   22  C   UNL     1       0.878   0.306   6.606  1.00  0.00           C  
HETATM   23  C   UNL     1       0.665   1.622   7.350  1.00  0.00           C  
HETATM   24  N   UNL     1       0.236   1.379   8.706  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.098   2.325   9.654  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.019   3.642   9.275  1.00  0.00           N  
HETATM   27  N   UNL     1      -0.473   1.977  10.856  1.00  0.00           N  
HETATM   28  C   UNL     1       1.778  -0.621   2.917  1.00  0.00           C  
HETATM   29  O   UNL     1       2.936  -0.517   2.518  1.00  0.00           O  
HETATM   30  N   UNL     1       0.651  -0.546   2.111  1.00  0.00           N  
HETATM   31  C   UNL     1       0.719  -0.333   0.684  1.00  0.00           C  
HETATM   32  C   UNL     1       0.039   0.998   0.397  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.935   1.416   1.019  1.00  0.00           O  
HETATM   34  N   UNL     1       0.663   1.712  -0.605  1.00  0.00           N  
HETATM   35  C   UNL     1       0.041  -1.460  -0.104  1.00  0.00           C  
HETATM   36  C   UNL     1       0.909  -2.688  -0.230  1.00  0.00           C  
HETATM   37  C   UNL     1       1.820  -2.940  -1.268  1.00  0.00           C  
HETATM   38  C   UNL     1       2.227  -2.254  -2.430  1.00  0.00           C  
HETATM   39  C   UNL     1       3.193  -2.832  -3.261  1.00  0.00           C  
HETATM   40  C   UNL     1       3.751  -4.071  -2.951  1.00  0.00           C  
HETATM   41  C   UNL     1       3.364  -4.769  -1.804  1.00  0.00           C  
HETATM   42  C   UNL     1       2.396  -4.179  -0.983  1.00  0.00           C  
HETATM   43  N   UNL     1       1.832  -4.628   0.190  1.00  0.00           N  
HETATM   44  C   UNL     1       0.921  -3.718   0.654  1.00  0.00           C  
HETATM   45  H   UNL     1      -1.868 -11.497   5.843  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.795 -10.140   6.993  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.904  -9.813   5.268  1.00  0.00           H  
HETATM   48  H   UNL     1       0.365 -10.817   4.921  1.00  0.00           H  
HETATM   49  H   UNL     1       0.476 -11.148   6.669  1.00  0.00           H  
HETATM   50  H   UNL     1       1.722  -6.956   5.558  1.00  0.00           H  
HETATM   51  H   UNL     1       1.782  -7.275   7.311  1.00  0.00           H  
HETATM   52  H   UNL     1       4.172  -7.578   5.381  1.00  0.00           H  
HETATM   53  H   UNL     1       5.218  -8.327   7.009  1.00  0.00           H  
HETATM   54  H   UNL     1       3.075  -5.403   4.795  1.00  0.00           H  
HETATM   55  H   UNL     1       3.805  -3.227   6.648  1.00  0.00           H  
HETATM   56  H   UNL     1       5.919  -3.642   5.389  1.00  0.00           H  
HETATM   57  H   UNL     1       5.194  -2.113   4.909  1.00  0.00           H  
HETATM   58  H   UNL     1       4.949  -4.745   3.354  1.00  0.00           H  
HETATM   59  H   UNL     1       4.162  -3.233   2.905  1.00  0.00           H  
HETATM   60  H   UNL     1       3.311  -1.121   5.371  1.00  0.00           H  
HETATM   61  H   UNL     1       0.502  -1.392   4.480  1.00  0.00           H  
HETATM   62  H   UNL     1       2.230   1.080   5.098  1.00  0.00           H  
HETATM   63  H   UNL     1       0.527   1.132   4.649  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.059  -0.264   6.635  1.00  0.00           H  
HETATM   65  H   UNL     1       1.634  -0.293   7.128  1.00  0.00           H  
HETATM   66  H   UNL     1       1.583   2.219   7.354  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.106   2.208   6.839  1.00  0.00           H  
HETATM   68  H   UNL     1       0.179   0.402   8.983  1.00  0.00           H  
HETATM   69  H   UNL     1       0.269   3.921   8.344  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.251   4.387   9.923  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.460   0.953  10.918  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.262  -0.646   2.544  1.00  0.00           H  
HETATM   73  H   UNL     1       1.783  -0.254   0.428  1.00  0.00           H  
HETATM   74  H   UNL     1       0.296   2.623  -0.858  1.00  0.00           H  
HETATM   75  H   UNL     1       1.477   1.359  -1.098  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.245  -1.106  -1.104  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.901  -1.752   0.379  1.00  0.00           H  
HETATM   78  H   UNL     1       1.801  -1.288  -2.685  1.00  0.00           H  
HETATM   79  H   UNL     1       3.510  -2.308  -4.158  1.00  0.00           H  
HETATM   80  H   UNL     1       4.501  -4.501  -3.610  1.00  0.00           H  
HETATM   81  H   UNL     1       3.799  -5.734  -1.564  1.00  0.00           H  
HETATM   82  H   UNL     1       2.058  -5.504   0.642  1.00  0.00           H  
HETATM   83  H   UNL     1       0.376  -3.905   1.569  1.00  0.00           H  
CONECT    1    2   45   46   47                                       
CONECT    2    1    3   48   49                                       
CONECT    3    2    4                                                 
CONECT    4    3    6    5    5                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   50   51                                       
CONECT    7    6    8    9   52                                       
CONECT    8    7   53                                                 
CONECT    9    7   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   54                                            
CONECT   12   11   13   17   55                                       
CONECT   13   12   14   56   57                                       
CONECT   14   13   15   58   59                                       
CONECT   15   14   16   16   16                                       
CONECT   16   15   15   15                                            
CONECT   17   12   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   60                                            
CONECT   20   19   21   28   61                                       
CONECT   21   20   22   62   63                                       
CONECT   22   21   23   64   65                                       
CONECT   23   22   24   66   67                                       
CONECT   24   23   25   68                                            
CONECT   25   24   26   27   27                                       
CONECT   26   25   69   70                                            
CONECT   27   25   25   71                                            
CONECT   28   20   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   72                                            
CONECT   31   30   35   32   73                                       
CONECT   32   31   34   33   33                                       
CONECT   33   32   32                                                 
CONECT   34   32   74   75                                            
CONECT   35   31   36   76   77                                       
CONECT   36   35   37   44   44                                       
CONECT   37   36   38   38   42                                       
CONECT   38   37   37   39   78                                       
CONECT   39   38   40   40   79                                       
CONECT   40   39   39   41   80                                       
CONECT   41   40   42   42   81                                       
CONECT   42   37   41   41   43                                       
CONECT   43   42   44   82                                            
CONECT   44   36   36   43   83                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
CONECT   82   43                                                      
CONECT   83   44                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
