COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.591   5.131   0.413  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.273   3.770   0.867  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.204   3.183  -0.019  1.00  0.00           C  
HETATM    4  O   UNL     1      -6.007   3.648  -1.121  1.00  0.00           O  
HETATM    5  C   UNL     1      -8.529   2.901   0.795  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.467   2.141   0.415  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.428   1.570  -0.446  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.188   0.134  -0.058  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.822  -0.364   0.848  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.133   2.367  -0.279  1.00  0.00           C  
HETATM   11  C   UNL     1       1.811  -1.107   0.364  1.00  0.00           C  
HETATM   12  O   UNL     1       1.425  -0.179   1.044  1.00  0.00           O  
HETATM   13  C   UNL     1       0.813  -1.990  -0.340  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.605  -1.504  -0.033  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.617  -2.401  -0.747  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.466  -2.258  -2.161  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.035  -1.994  -0.342  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.268  -0.598  -0.719  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.048  -2.891  -1.056  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.436  -2.572  -0.565  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.190  -1.605  -1.203  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.958  -3.251   0.521  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.464  -1.313  -0.752  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.231  -2.958   0.972  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.983  -1.988   0.336  1.00  0.00           C  
HETATM   26  N   UNL     1       3.131  -1.347   0.238  1.00  0.00           N  
HETATM   27  C   UNL     1       4.100  -0.488   0.922  1.00  0.00           C  
HETATM   28  C   UNL     1       5.417  -0.534   0.190  1.00  0.00           C  
HETATM   29  O   UNL     1       5.677  -1.474  -0.531  1.00  0.00           O  
HETATM   30  C   UNL     1       4.297  -0.982   2.356  1.00  0.00           C  
HETATM   31  C   UNL     1       2.995  -0.804   3.140  1.00  0.00           C  
HETATM   32  C   UNL     1       4.682  -2.463   2.337  1.00  0.00           C  
HETATM   33  N   UNL     1       6.304   0.470   0.336  1.00  0.00           N  
HETATM   34  C   UNL     1       7.539   0.477  -0.453  1.00  0.00           C  
HETATM   35  C   UNL     1       8.593   1.274   0.271  1.00  0.00           C  
HETATM   36  O   UNL     1       8.340   1.784   1.336  1.00  0.00           O  
HETATM   37  C   UNL     1       7.268   1.111  -1.819  1.00  0.00           C  
HETATM   38  C   UNL     1       8.557   1.118  -2.642  1.00  0.00           C  
HETATM   39  C   UNL     1       6.198   0.302  -2.554  1.00  0.00           C  
HETATM   40  C   UNL     1      10.780   2.198   0.485  1.00  0.00           C  
HETATM   41  O   UNL     1       9.814   1.417  -0.268  1.00  0.00           O  
HETATM   42  H   UNL     1      -7.927   5.125  -0.539  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.259   5.570   1.029  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.913   3.805   1.895  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.888   2.866  -0.234  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.293   1.891   1.131  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.302   3.326   1.435  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.625   1.769   1.297  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.752   1.617  -1.486  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.809   2.320   0.761  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.360   1.942  -0.919  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.306   3.406  -0.559  1.00  0.00           H  
HETATM   53  H   UNL     1       0.929  -3.017   0.008  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.720  -0.478  -0.380  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.150  -2.103   0.737  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.761  -0.199  -1.443  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.993  -2.716  -2.131  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.819  -3.936  -0.847  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.784  -1.078  -2.054  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.370  -4.009   1.016  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.053  -0.557  -1.251  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.639  -3.488   1.820  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.978  -1.759   0.689  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.444  -3.440  -0.467  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.607  -1.357  -2.482  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.778  -1.546   1.043  1.00  0.00           H  
HETATM   67  H   UNL     1       0.987  -1.949  -1.415  1.00  0.00           H  
HETATM   68  H   UNL     1       3.439  -2.088  -0.306  1.00  0.00           H  
HETATM   69  H   UNL     1       3.730   0.537   0.939  1.00  0.00           H  
HETATM   70  H   UNL     1       5.090  -0.407   2.834  1.00  0.00           H  
HETATM   71  H   UNL     1       2.202  -1.380   2.663  1.00  0.00           H  
HETATM   72  H   UNL     1       3.135  -1.157   4.162  1.00  0.00           H  
HETATM   73  H   UNL     1       2.721   0.250   3.154  1.00  0.00           H  
HETATM   74  H   UNL     1       5.650  -2.580   1.849  1.00  0.00           H  
HETATM   75  H   UNL     1       4.743  -2.836   3.359  1.00  0.00           H  
HETATM   76  H   UNL     1       3.928  -3.027   1.788  1.00  0.00           H  
HETATM   77  H   UNL     1       6.126   1.188   0.963  1.00  0.00           H  
HETATM   78  H   UNL     1       7.888  -0.547  -0.590  1.00  0.00           H  
HETATM   79  H   UNL     1       6.919   2.135  -1.681  1.00  0.00           H  
HETATM   80  H   UNL     1       8.906   0.095  -2.780  1.00  0.00           H  
HETATM   81  H   UNL     1       8.364   1.570  -3.615  1.00  0.00           H  
HETATM   82  H   UNL     1       9.320   1.695  -2.119  1.00  0.00           H  
HETATM   83  H   UNL     1       5.279   0.297  -1.967  1.00  0.00           H  
HETATM   84  H   UNL     1       6.004   0.754  -3.527  1.00  0.00           H  
HETATM   85  H   UNL     1       6.546  -0.722  -2.691  1.00  0.00           H  
HETATM   86  H   UNL     1      10.400   3.210   0.623  1.00  0.00           H  
HETATM   87  H   UNL     1      10.942   1.735   1.458  1.00  0.00           H  
HETATM   88  H   UNL     1      11.722   2.235  -0.061  1.00  0.00           H  
CONECT    1    2   42   43                                            
CONECT    2    1    3    5   44                                       
CONECT    3    2    4    4    6                                       
CONECT    4    3    3                                                 
CONECT    5    2   45   46   47                                       
CONECT    6    7   48    3                                            
CONECT    7    6    8   10   49                                       
CONECT    8    7    9    9   18                                       
CONECT    9    8    8                                                 
CONECT   10    7   50   51   52                                       
CONECT   11   13   12   12   26                                       
CONECT   12   11   11                                                 
CONECT   13   11   53   14   67                                       
CONECT   14   15   54   66   13                                       
CONECT   15   17   16   14   64                                       
CONECT   16   15   65                                                 
CONECT   17   18   15   19   55                                       
CONECT   18   17   56    8                                            
CONECT   19   17   20   57   58                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20   23   59                                       
CONECT   22   20   24   24   60                                       
CONECT   23   21   25   25   61                                       
CONECT   24   22   22   25   62                                       
CONECT   25   23   23   24   63                                       
CONECT   26   27   68   11                                            
CONECT   27   26   28   30   69                                       
CONECT   28   27   29   29   33                                       
CONECT   29   28   28                                                 
CONECT   30   27   31   32   70                                       
CONECT   31   30   71   72   73                                       
CONECT   32   30   74   75   76                                       
CONECT   33   34   77   28                                            
CONECT   34   33   35   37   78                                       
CONECT   35   34   36   36   41                                       
CONECT   36   35   35                                                 
CONECT   37   34   38   39   79                                       
CONECT   38   37   80   81   82                                       
CONECT   39   37   83   84   85                                       
CONECT   40   41   86   87   88                                       
CONECT   41   40   35                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   14                                                      
CONECT   67   13                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
