COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      13.306  -1.164  -0.376  1.00  0.00           C  
HETATM    2  C   UNL     1      13.351   0.218  -0.119  1.00  0.00           C  
HETATM    3  C   UNL     1      12.218   0.907   0.190  1.00  0.00           C  
HETATM    4  N   UNL     1       7.427   0.917   0.937  1.00  0.00           N  
HETATM    5  C   UNL     1      10.925  -1.162  -0.004  1.00  0.00           C  
HETATM    6  C   UNL     1      12.104  -1.852  -0.320  1.00  0.00           C  
HETATM    7  C   UNL     1      14.548  -1.886  -0.714  1.00  0.00           C  
HETATM    8  C   UNL     1      16.900  -1.997  -1.109  1.00  0.00           C  
HETATM    9  C   UNL     1       6.259   0.539   0.380  1.00  0.00           C  
HETATM   10  C   UNL     1       1.371   1.105   0.132  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.214   2.112   0.523  1.00  0.00           C  
HETATM   12  C   UNL     1       9.690  -1.832   0.061  1.00  0.00           C  
HETATM   13  C   UNL     1       3.839   0.716   0.158  1.00  0.00           C  
HETATM   14  C   UNL     1       2.697   1.534   0.764  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.130   2.426   0.026  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.297   1.818  -0.754  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.610   2.562  -0.424  1.00  0.00           C  
HETATM   18  C   UNL     1     -10.679   1.447  -0.406  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.886   0.161  -0.728  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.931  -1.416   1.241  1.00  0.00           C  
HETATM   21  C   UNL     1     -11.594  -2.712   0.733  1.00  0.00           C  
HETATM   22  C   UNL     1     -12.618  -3.670   0.636  1.00  0.00           C  
HETATM   23  C   UNL     1     -13.260  -2.728  -1.371  1.00  0.00           C  
HETATM   24  C   UNL     1     -11.469  -1.767  -0.299  1.00  0.00           C  
HETATM   25  C   UNL     1       0.229   1.923   0.738  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.656   2.366   0.371  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.823   1.758  -0.409  1.00  0.00           C  
HETATM   28  C   UNL     1      10.979   0.232   0.254  1.00  0.00           C  
HETATM   29  C   UNL     1       9.799   0.919   0.569  1.00  0.00           C  
HETATM   30  C   UNL     1       8.605   0.233   0.623  1.00  0.00           C  
HETATM   31  C   UNL     1       8.560  -1.143   0.368  1.00  0.00           C  
HETATM   32  N   UNL     1     -12.316  -1.812  -1.322  1.00  0.00           N  
HETATM   33  N   UNL     1       5.109   1.127   0.763  1.00  0.00           N  
HETATM   34  N   UNL     1      -1.040   1.512   0.133  1.00  0.00           N  
HETATM   35  N   UNL     1      -3.405   1.727  -0.045  1.00  0.00           N  
HETATM   36  N   UNL     1      -2.197   3.046   1.432  1.00  0.00           N  
HETATM   37  N   UNL     1     -10.409  -0.968   0.046  1.00  0.00           N  
HETATM   38  N   UNL     1     -10.627  -2.440   1.642  1.00  0.00           N  
HETATM   39  N   UNL     1     -12.790  -4.625   1.622  1.00  0.00           N  
HETATM   40  N   UNL     1     -13.417  -3.636  -0.426  1.00  0.00           N  
HETATM   41  O   UNL     1      12.278   2.242   0.435  1.00  0.00           O  
HETATM   42  O   UNL     1      15.719  -1.223  -0.770  1.00  0.00           O  
HETATM   43  O   UNL     1      14.514  -3.079  -0.942  1.00  0.00           O  
HETATM   44  O   UNL     1       6.244  -0.333  -0.467  1.00  0.00           O  
HETATM   45  O   UNL     1      -9.908   3.526  -1.436  1.00  0.00           O  
HETATM   46  O   UNL     1     -11.670   1.688  -1.407  1.00  0.00           O  
HETATM   47  O   UNL     1      -8.529   0.456  -0.333  1.00  0.00           O  
HETATM   48  H   UNL     1      14.296   0.740  -0.166  1.00  0.00           H  
HETATM   49  H   UNL     1       7.450   1.663   1.556  1.00  0.00           H  
HETATM   50  H   UNL     1      12.076  -2.913  -0.518  1.00  0.00           H  
HETATM   51  H   UNL     1      17.772  -1.344  -1.119  1.00  0.00           H  
HETATM   52  H   UNL     1      17.044  -2.783  -0.367  1.00  0.00           H  
HETATM   53  H   UNL     1      16.770  -2.446  -2.093  1.00  0.00           H  
HETATM   54  H   UNL     1       1.410   1.277  -0.944  1.00  0.00           H  
HETATM   55  H   UNL     1       1.203   0.046   0.325  1.00  0.00           H  
HETATM   56  H   UNL     1       9.640  -2.894  -0.133  1.00  0.00           H  
HETATM   57  H   UNL     1       3.671  -0.343   0.351  1.00  0.00           H  
HETATM   58  H   UNL     1       3.878   0.888  -0.918  1.00  0.00           H  
HETATM   59  H   UNL     1       2.866   2.593   0.571  1.00  0.00           H  
HETATM   60  H   UNL     1       2.659   1.362   1.840  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.076   3.496  -0.176  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.283   2.265   1.093  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.098   1.857  -1.825  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.541   3.044   0.552  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.142   1.377   0.578  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.932  -0.056  -1.795  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.094  -0.989   1.774  1.00  0.00           H  
HETATM   68  H   UNL     1     -13.933  -2.737  -2.217  1.00  0.00           H  
HETATM   69  H   UNL     1       0.191   1.751   1.814  1.00  0.00           H  
HETATM   70  H   UNL     1       0.398   2.982   0.545  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.602   3.436   0.169  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.809   2.205   1.438  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.878   0.688  -0.207  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.670   1.919  -1.476  1.00  0.00           H  
HETATM   75  H   UNL     1       9.825   1.981   0.768  1.00  0.00           H  
HETATM   76  H   UNL     1       7.614  -1.663   0.416  1.00  0.00           H  
HETATM   77  H   UNL     1       5.121   1.822   1.439  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.053   0.817  -0.543  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.417   1.031  -0.721  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.357   3.318   1.833  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.200  -4.639   2.392  1.00  0.00           H  
HETATM   82  H   UNL     1     -13.500  -5.281   1.543  1.00  0.00           H  
HETATM   83  H   UNL     1      12.162   2.792  -0.351  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.723   4.022  -1.279  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.158   2.514  -1.287  1.00  0.00           H  
CONECT    1    2    7    6    6                                       
CONECT    2    3    3    1   48                                       
CONECT    3   41    2    2   28                                       
CONECT    4   30    9   49                                            
CONECT    5   28    6   12   12                                       
CONECT    6    1    1    5   50                                       
CONECT    7   43   43    1   42                                       
CONECT    8   42   51   52   53                                       
CONECT    9   44   44    4   33                                       
CONECT   10   14   25   54   55                                       
CONECT   11   35   36   36   34                                       
CONECT   12    5    5   31   56                                       
CONECT   13   33   14   57   58                                       
CONECT   14   13   10   59   60                                       
CONECT   15   27   16   61   62                                       
CONECT   16   15   47   17   63                                       
CONECT   17   18   16   45   64                                       
CONECT   18   19   46   17   65                                       
CONECT   19   37   18   47   66                                       
CONECT   20   38   38   37   67                                       
CONECT   21   38   22   22   24                                       
CONECT   22   39   21   21   40                                       
CONECT   23   40   40   32   68                                       
CONECT   24   21   37   32   32                                       
CONECT   25   10   34   69   70                                       
CONECT   26   35   27   71   72                                       
CONECT   27   26   15   73   74                                       
CONECT   28    3   29   29    5                                       
CONECT   29   28   28   30   75                                       
CONECT   30   29    4   31   31                                       
CONECT   31   30   30   12   76                                       
CONECT   32   24   24   23                                            
CONECT   33    9   13   77                                            
CONECT   34   11   25   78                                            
CONECT   35   26   11   79                                            
CONECT   36   11   11   80                                            
CONECT   37   20   24   19                                            
CONECT   38   21   20   20                                            
CONECT   39   22   81   82                                            
CONECT   40   22   23   23                                            
CONECT   41    3   83                                                 
CONECT   42    7    8                                                 
CONECT   43    7    7                                                 
CONECT   44    9    9                                                 
CONECT   45   17   84                                                 
CONECT   46   18   85                                                 
CONECT   47   19   16                                                 
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   23                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   29                                                      
CONECT   76   31                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
CONECT   83   41                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
