COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.722  -1.766  -1.014  1.00  0.00           C  
HETATM    2  C   UNL     1       2.408  -2.355  -0.502  1.00  0.00           C  
HETATM    3  C   UNL     1       4.075  -0.543  -0.219  1.00  0.00           C  
HETATM    4  C   UNL     1       3.120   0.293   0.316  1.00  0.00           C  
HETATM    5  N   UNL     1       3.775   1.294   0.938  1.00  0.00           N  
HETATM    6  N   UNL     1       5.049   1.110   0.834  1.00  0.00           N  
HETATM    7  C   UNL     1       5.305   0.009   0.143  1.00  0.00           C  
HETATM    8  C   UNL     1       6.640  -0.533  -0.183  1.00  0.00           C  
HETATM    9  N   UNL     1       7.748   0.110   0.235  1.00  0.00           N  
HETATM   10  O   UNL     1       6.739  -1.558  -0.829  1.00  0.00           O  
HETATM   11  C   UNL     1       3.138   2.419   1.628  1.00  0.00           C  
HETATM   12  C   UNL     1       1.689  -0.019   0.160  1.00  0.00           C  
HETATM   13  C   UNL     1       1.355  -1.311  -0.269  1.00  0.00           C  
HETATM   14  C   UNL     1       0.018  -1.602  -0.465  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.888  -0.666  -0.221  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.539   0.538   0.210  1.00  0.00           C  
HETATM   17  N   UNL     1       0.732   0.865   0.400  1.00  0.00           N  
HETATM   18  N   UNL     1      -1.525   1.476   0.468  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.869   1.112   0.397  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.840   2.078   0.126  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.171   1.719   0.057  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.543   0.386   0.258  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.568  -0.576   0.528  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.240  -0.214   0.591  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.474   3.374  -0.068  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.965  -0.003   0.184  1.00  0.00           C  
HETATM   27  N   UNL     1      -7.323  -1.288   0.378  1.00  0.00           N  
HETATM   28  O   UNL     1      -7.813   0.836  -0.051  1.00  0.00           O  
HETATM   29  C   UNL     1      -8.734  -1.674   0.306  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.961  -2.942   1.133  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.423  -3.375   1.003  1.00  0.00           C  
HETATM   32  N   UNL     1     -10.738  -3.627  -0.409  1.00  0.00           N  
HETATM   33  C   UNL     1     -10.573  -2.410  -1.214  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.115  -1.949  -1.152  1.00  0.00           C  
HETATM   35  C   UNL     1     -12.092  -4.177  -0.557  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.519   4.309  -0.341  1.00  0.00           C  
HETATM   37  F   UNL     1      -5.419   4.329   0.730  1.00  0.00           F  
HETATM   38  F   UNL     1      -3.971   5.584  -0.514  1.00  0.00           F  
HETATM   39  F   UNL     1      -5.192   3.929  -1.508  1.00  0.00           F  
HETATM   40  C   UNL     1       9.011  -0.426  -0.035  1.00  0.00           C  
HETATM   41  C   UNL     1       9.295  -1.743   0.305  1.00  0.00           C  
HETATM   42  C   UNL     1      10.543  -2.270   0.037  1.00  0.00           C  
HETATM   43  C   UNL     1      11.510  -1.488  -0.568  1.00  0.00           C  
HETATM   44  C   UNL     1      11.231  -0.177  -0.908  1.00  0.00           C  
HETATM   45  C   UNL     1       9.983   0.354  -0.648  1.00  0.00           C  
HETATM   46  C   UNL     1       9.677   1.781  -1.024  1.00  0.00           C  
HETATM   47  C   UNL     1       9.897   2.687   0.190  1.00  0.00           C  
HETATM   48  C   UNL     1       8.242  -2.595   0.965  1.00  0.00           C  
HETATM   49  C   UNL     1       8.436  -4.056   0.553  1.00  0.00           C  
HETATM   50  H   UNL     1       4.515  -2.506  -0.913  1.00  0.00           H  
HETATM   51  H   UNL     1       3.612  -1.496  -2.065  1.00  0.00           H  
HETATM   52  H   UNL     1       2.036  -3.073  -1.234  1.00  0.00           H  
HETATM   53  H   UNL     1       2.599  -2.879   0.435  1.00  0.00           H  
HETATM   54  H   UNL     1       2.974   2.158   2.673  1.00  0.00           H  
HETATM   55  H   UNL     1       3.785   3.294   1.569  1.00  0.00           H  
HETATM   56  H   UNL     1       2.182   2.641   1.154  1.00  0.00           H  
HETATM   57  H   UNL     1       7.669   0.945   0.722  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.285  -2.578  -0.813  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.280   2.386   0.697  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.487  -0.960   0.796  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.923   2.465  -0.153  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.854  -1.606   0.684  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.646  -1.957   0.566  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.353  -0.867   0.699  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.312  -3.737   0.765  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.732  -2.740   2.179  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.996  -1.037  -1.737  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.469  -2.728  -1.556  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.585  -4.286   1.580  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.071  -2.585   1.384  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.843  -2.621  -2.249  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.219  -1.625  -0.823  1.00  0.00           H  
HETATM   73  H   UNL     1     -12.817  -3.468  -0.158  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.299  -4.354  -1.612  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.164  -5.117  -0.009  1.00  0.00           H  
HETATM   76  H   UNL     1      10.764  -3.293   0.301  1.00  0.00           H  
HETATM   77  H   UNL     1       8.332  -2.509   2.048  1.00  0.00           H  
HETATM   78  H   UNL     1       7.254  -2.258   0.654  1.00  0.00           H  
HETATM   79  H   UNL     1      12.486  -1.902  -0.776  1.00  0.00           H  
HETATM   80  H   UNL     1      11.988   0.431  -1.380  1.00  0.00           H  
HETATM   81  H   UNL     1      10.336   2.093  -1.834  1.00  0.00           H  
HETATM   82  H   UNL     1       8.640   1.857  -1.350  1.00  0.00           H  
HETATM   83  H   UNL     1       9.592   3.704  -0.056  1.00  0.00           H  
HETATM   84  H   UNL     1       9.304   2.322   1.028  1.00  0.00           H  
HETATM   85  H   UNL     1      10.953   2.680   0.461  1.00  0.00           H  
HETATM   86  H   UNL     1       8.403  -4.134  -0.534  1.00  0.00           H  
HETATM   87  H   UNL     1       9.401  -4.410   0.914  1.00  0.00           H  
HETATM   88  H   UNL     1       7.641  -4.664   0.985  1.00  0.00           H  
CONECT    1    2    3   50   51                                       
CONECT    2    1   13   52   53                                       
CONECT    3    1    4    4    7                                       
CONECT    4    3    3    5   12                                       
CONECT    5    4    6   11                                            
CONECT    6    5    7    7                                            
CONECT    7    3    6    6    8                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8   40   57                                            
CONECT   10    8    8                                                 
CONECT   11    5   54   55   56                                       
CONECT   12    4   13   13   17                                       
CONECT   13    2   12   12   14                                       
CONECT   14   13   15   15   58                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   17   18                                       
CONECT   17   12   16   16                                            
CONECT   18   16   19   59                                            
CONECT   19   18   20   24   24                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   61                                       
CONECT   22   21   23   23   26                                       
CONECT   23   22   22   24   62                                       
CONECT   24   19   19   23   60                                       
CONECT   25   20   36                                                 
CONECT   26   22   27   28   28                                       
CONECT   27   26   29   63                                            
CONECT   28   26   26                                                 
CONECT   29   27   30   34   64                                       
CONECT   30   29   31   65   66                                       
CONECT   31   30   32   69   70                                       
CONECT   32   31   33   35                                            
CONECT   33   32   34   71   72                                       
CONECT   34   29   33   67   68                                       
CONECT   35   32   73   74   75                                       
CONECT   36   25   37   38   39                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
CONECT   40    9   41   45   45                                       
CONECT   41   40   42   42   48                                       
CONECT   42   41   41   43   76                                       
CONECT   43   42   44   44   79                                       
CONECT   44   43   43   45   80                                       
CONECT   45   40   40   44   46                                       
CONECT   46   45   47   81   82                                       
CONECT   47   46   83   84   85                                       
CONECT   48   41   49   77   78                                       
CONECT   49   48   86   87   88                                       
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57    9                                                      
CONECT   58   14                                                      
CONECT   59   18                                                      
CONECT   60   24                                                      
CONECT   61   21                                                      
CONECT   62   23                                                      
CONECT   63   27                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   35                                                      
CONECT   76   42                                                      
CONECT   77   48                                                      
CONECT   78   48                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
CONECT   81   46                                                      
CONECT   82   46                                                      
CONECT   83   47                                                      
CONECT   84   47                                                      
CONECT   85   47                                                      
CONECT   86   49                                                      
CONECT   87   49                                                      
CONECT   88   49                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
