COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.323   2.624  -0.464  1.00  0.00           N  
HETATM    2  N   UNL     1       0.079   3.025  -0.902  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.201   4.607   0.946  1.00  0.00           C  
HETATM    4  C   UNL     1       1.292   4.766   0.678  1.00  0.00           C  
HETATM    5  C   UNL     1       1.984   3.403   0.595  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.771   3.376   0.251  1.00  0.00           C  
HETATM    7  C   UNL     1       0.301  -3.738   0.328  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.743  -4.356   1.207  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.393  -5.823   1.466  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.096  -4.271   0.502  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.158  -3.749   1.471  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.456  -3.517   0.697  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.165   3.657  -0.237  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.428   3.057  -0.641  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.471   2.099  -0.132  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.188   0.756   0.025  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.175  -0.112   0.487  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.443   0.384   0.796  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.716   1.725   0.636  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.735   2.579   0.173  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.922  -1.557   0.661  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.698  -2.042   0.527  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.459  -3.939  -1.844  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.817   4.484  -0.249  1.00  0.00           C  
HETATM   25  O   UNL     1       0.145  -3.675  -0.873  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.416   4.707  -0.778  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.995  -3.382  -0.613  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.133   2.739  -0.071  1.00  0.00           O  
HETATM   29  N   UNL     1       3.187  -0.488  -0.715  1.00  0.00           N  
HETATM   30  C   UNL     1       3.164   0.963  -0.429  1.00  0.00           C  
HETATM   31  C   UNL     1       4.376   1.634  -1.077  1.00  0.00           C  
HETATM   32  C   UNL     1       5.639   1.122  -0.433  1.00  0.00           C  
HETATM   33  C   UNL     1       6.272   0.006  -0.947  1.00  0.00           C  
HETATM   34  C   UNL     1       7.431  -0.466  -0.358  1.00  0.00           C  
HETATM   35  C   UNL     1       6.165   1.772   0.667  1.00  0.00           C  
HETATM   36  C   UNL     1       7.327   1.300   1.259  1.00  0.00           C  
HETATM   37  C   UNL     1       7.958   0.176   0.745  1.00  0.00           C  
HETATM   38  O   UNL     1       7.846   1.938   2.341  1.00  0.00           O  
HETATM   39  C   UNL     1       1.898   1.542  -1.001  1.00  0.00           C  
HETATM   40  O   UNL     1       1.389   1.017  -1.969  1.00  0.00           O  
HETATM   41  N   UNL     1       1.438  -3.246   0.907  1.00  0.00           N  
HETATM   42  C   UNL     1       2.465  -2.750  -0.038  1.00  0.00           C  
HETATM   43  C   UNL     1       2.754  -1.306   0.285  1.00  0.00           C  
HETATM   44  O   UNL     1       2.603  -0.882   1.411  1.00  0.00           O  
HETATM   45  C   UNL     1       1.943  -2.862  -1.471  1.00  0.00           C  
HETATM   46  C   UNL     1       1.694  -4.333  -1.810  1.00  0.00           C  
HETATM   47  C   UNL     1       0.633  -2.081  -1.599  1.00  0.00           C  
HETATM   48  H   UNL     1       0.154   3.799  -1.545  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.361   4.515   2.020  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.722   5.493   0.583  1.00  0.00           H  
HETATM   51  H   UNL     1       1.432   5.296  -0.264  1.00  0.00           H  
HETATM   52  H   UNL     1       1.740   5.346   1.485  1.00  0.00           H  
HETATM   53  H   UNL     1       1.890   2.883   1.548  1.00  0.00           H  
HETATM   54  H   UNL     1       3.037   3.539   0.350  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.789   2.541   0.948  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.789  -3.819   2.154  1.00  0.00           H  
HETATM   57  H   UNL     1       0.577  -5.884   1.959  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.154  -6.271   2.105  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.353  -6.360   0.518  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.384  -5.261   0.148  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.328  -4.485   2.257  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.822  -2.811   1.912  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.381  -3.986  -0.285  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.288  -3.960   1.244  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.372   2.986  -1.727  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.203   0.380  -0.211  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.209  -0.283   1.160  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.698   2.108   0.873  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.954   3.629   0.047  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.754  -2.208   0.904  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.888  -1.365   0.312  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.253  -3.244  -2.658  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.946  -4.882  -2.033  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.533  -4.116  -1.781  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.665   4.622   0.821  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.197   5.193  -0.798  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.866   4.655  -0.492  1.00  0.00           H  
HETATM   78  H   UNL     1       3.492  -0.837  -1.567  1.00  0.00           H  
HETATM   79  H   UNL     1       3.186   1.123   0.649  1.00  0.00           H  
HETATM   80  H   UNL     1       4.392   1.403  -2.143  1.00  0.00           H  
HETATM   81  H   UNL     1       4.310   2.714  -0.941  1.00  0.00           H  
HETATM   82  H   UNL     1       5.862  -0.498  -1.809  1.00  0.00           H  
HETATM   83  H   UNL     1       7.924  -1.339  -0.761  1.00  0.00           H  
HETATM   84  H   UNL     1       5.672   2.647   1.065  1.00  0.00           H  
HETATM   85  H   UNL     1       8.863  -0.193   1.205  1.00  0.00           H  
HETATM   86  H   UNL     1       7.516   1.608   3.188  1.00  0.00           H  
HETATM   87  H   UNL     1       1.565  -3.228   1.869  1.00  0.00           H  
HETATM   88  H   UNL     1       3.377  -3.338   0.070  1.00  0.00           H  
HETATM   89  H   UNL     1       2.680  -2.451  -2.160  1.00  0.00           H  
HETATM   90  H   UNL     1       1.461  -4.882  -0.897  1.00  0.00           H  
HETATM   91  H   UNL     1       0.857  -4.410  -2.503  1.00  0.00           H  
HETATM   92  H   UNL     1       2.587  -4.756  -2.270  1.00  0.00           H  
HETATM   93  H   UNL     1       0.849  -1.013  -1.626  1.00  0.00           H  
HETATM   94  H   UNL     1       0.125  -2.372  -2.519  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.006  -2.301  -0.745  1.00  0.00           H  
CONECT    1    5   39    2                                            
CONECT    2    1    6   48                                            
CONECT    3    4    6   49   50                                       
CONECT    4    5    3   52   51                                       
CONECT    5    4    1   53   54                                       
CONECT    6    3    2   13   55                                       
CONECT    7   25   25   41    8                                       
CONECT    8    7    9   10   56                                       
CONECT    9    8   57   58   59                                       
CONECT   10    8   11   27   60                                       
CONECT   11   10   12   61   62                                       
CONECT   12   11   22   63   64                                       
CONECT   13    6   28   26   26                                       
CONECT   14   28   24   15   65                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   66                                       
CONECT   17   16   21   18   18                                       
CONECT   18   17   17   19   67                                       
CONECT   19   20   20   18   68                                       
CONECT   20   15   19   19   69                                       
CONECT   21   17   22   22   70                                       
CONECT   22   21   21   12   71                                       
CONECT   23   27   72   73   74                                       
CONECT   24   14   75   76   77                                       
CONECT   25    7    7                                                 
CONECT   26   13   13                                                 
CONECT   27   10   23                                                 
CONECT   28   13   14                                                 
CONECT   29   30   43   78                                            
CONECT   30   39   31   29   79                                       
CONECT   31   30   32   80   81                                       
CONECT   32   31   33   33   35                                       
CONECT   33   32   32   34   82                                       
CONECT   34   33   37   37   83                                       
CONECT   35   32   36   36   84                                       
CONECT   36   35   35   37   38                                       
CONECT   37   34   34   36   85                                       
CONECT   38   36   86                                                 
CONECT   39   40   40    1   30                                       
CONECT   40   39   39                                                 
CONECT   41   42    7   87                                            
CONECT   42   45   43   41   88                                       
CONECT   43   29   42   44   44                                       
CONECT   44   43   43                                                 
CONECT   45   46   47   42   89                                       
CONECT   46   45   90   91   92                                       
CONECT   47   45   93   94   95                                       
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   14                                                      
CONECT   66   16                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   45                                                      
CONECT   90   46                                                      
CONECT   91   46                                                      
CONECT   92   46                                                      
CONECT   93   47                                                      
CONECT   94   47                                                      
CONECT   95   47                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
