COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.219   5.234  -0.766  1.00  0.00           C  
HETATM    2  C   UNL     1       7.764   3.065  -0.116  1.00  0.00           C  
HETATM    3  C   UNL     1       8.107   3.375   1.205  1.00  0.00           C  
HETATM    4  C   UNL     1       8.526   4.692   1.505  1.00  0.00           C  
HETATM    5  O   UNL     1       8.835   5.006   2.641  1.00  0.00           O  
HETATM    6  C   UNL     1       6.964   0.966  -1.276  1.00  0.00           C  
HETATM    7  C   UNL     1       8.181   0.354  -2.004  1.00  0.00           C  
HETATM    8  C   UNL     1       7.685  -1.036  -2.462  1.00  0.00           C  
HETATM    9  C   UNL     1       6.227  -1.099  -1.955  1.00  0.00           C  
HETATM   10  C   UNL     1       5.890  -2.513  -1.476  1.00  0.00           C  
HETATM   11  C   UNL     1       7.538   1.284   1.162  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.472   0.227   0.504  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.123   4.570  -0.082  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.407   2.836  -1.024  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.573   1.915  -0.368  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.522   2.393   0.423  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.727   1.364   1.813  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.175   1.453   3.289  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.145   0.586   4.047  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.197   0.075   2.939  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.766  -1.364   3.230  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.416  -0.409  -0.956  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.932  -0.664  -2.360  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.600  -1.927  -3.898  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.043  -1.693  -2.609  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.046  -1.132  -4.937  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.382   0.127  -3.400  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.939  -0.106  -4.689  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.425   0.760  -5.822  1.00  0.00           C  
HETATM   30  N   UNL     1       8.571   5.595   0.500  1.00  0.00           N  
HETATM   31  N   UNL     1       8.275   6.173  -1.766  1.00  0.00           N  
HETATM   32  N   UNL     1       7.833   4.013  -1.059  1.00  0.00           N  
HETATM   33  N   UNL     1       7.948   2.245   1.937  1.00  0.00           N  
HETATM   34  N   UNL     1       7.403   1.745  -0.115  1.00  0.00           N  
HETATM   35  N   UNL     1      -7.515   0.537  -0.293  1.00  0.00           N  
HETATM   36  N   UNL     1      -6.336   3.722   0.536  1.00  0.00           N  
HETATM   37  N   UNL     1      -6.895   5.917   0.062  1.00  0.00           N  
HETATM   38  N   UNL     1      -8.160   4.155  -0.864  1.00  0.00           N  
HETATM   39  N   UNL     1      -5.892   1.318   0.926  1.00  0.00           N1+
HETATM   40  O   UNL     1       8.543   1.153  -3.133  1.00  0.00           O  
HETATM   41  O   UNL     1       7.725  -1.138  -3.886  1.00  0.00           O  
HETATM   42  O   UNL     1       6.179  -0.169  -0.851  1.00  0.00           O  
HETATM   43  O   UNL     1       4.508  -2.579  -1.122  1.00  0.00           O  
HETATM   44  O   UNL     1       4.548  -4.419   0.605  1.00  0.00           O  
HETATM   45  O   UNL     1       3.818  -5.042  -1.729  1.00  0.00           O  
HETATM   46  O   UNL     1       2.285  -3.598  -0.155  1.00  0.00           O  
HETATM   47  O   UNL     1      -3.981   0.130   1.728  1.00  0.00           O  
HETATM   48  O   UNL     1      -9.332   2.454  -1.721  1.00  0.00           O  
HETATM   49  O   UNL     1      -5.123   2.806   3.747  1.00  0.00           O  
HETATM   50  O   UNL     1      -3.427   1.376   4.996  1.00  0.00           O  
HETATM   51  O   UNL     1      -1.801  -1.777   2.260  1.00  0.00           O  
HETATM   52  O   UNL     1      -2.257  -4.350   1.972  1.00  0.00           O  
HETATM   53  O   UNL     1      -0.508  -3.497   3.579  1.00  0.00           O  
HETATM   54  O   UNL     1       0.001  -3.311   1.114  1.00  0.00           O  
HETATM   55  O   UNL     1       0.632  -5.632   0.052  1.00  0.00           O  
HETATM   56  O   UNL     1       1.862  -4.728   2.062  1.00  0.00           O  
HETATM   57  P   UNL     1       3.806  -3.921  -0.574  1.00  0.00           P  
HETATM   58  P   UNL     1      -1.128  -3.239   2.260  1.00  0.00           P  
HETATM   59  P   UNL     1       1.209  -4.326   0.796  1.00  0.00           P  
HETATM   60  H   UNL     1       6.388   1.593  -1.957  1.00  0.00           H  
HETATM   61  H   UNL     1       9.024   0.253  -1.321  1.00  0.00           H  
HETATM   62  H   UNL     1       8.283  -1.824  -2.004  1.00  0.00           H  
HETATM   63  H   UNL     1       5.538  -0.790  -2.742  1.00  0.00           H  
HETATM   64  H   UNL     1       6.095  -3.226  -2.275  1.00  0.00           H  
HETATM   65  H   UNL     1       6.500  -2.756  -0.606  1.00  0.00           H  
HETATM   66  H   UNL     1       7.335   0.272   1.482  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.164  -0.777   0.759  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.090   2.211   1.558  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.180   1.049   3.408  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.640  -0.250   4.541  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.324   0.723   2.858  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.326  -1.418   4.225  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.634  -2.021   3.180  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.422   0.009  -0.988  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.430  -1.347  -0.401  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.905  -2.730  -4.092  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.695  -2.314  -1.798  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.700  -1.314  -5.944  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.080   0.928  -3.206  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.327   0.324  -6.252  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.649   1.758  -5.446  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.652   0.825  -6.587  1.00  0.00           H  
HETATM   83  H   UNL     1       8.856   6.504   0.682  1.00  0.00           H  
HETATM   84  H   UNL     1       8.561   7.078  -1.566  1.00  0.00           H  
HETATM   85  H   UNL     1       8.027   5.931  -2.672  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.161   6.228   0.615  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.468   6.557  -0.388  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.722   4.809  -1.307  1.00  0.00           H  
HETATM   89  H   UNL     1       9.264   0.783  -3.661  1.00  0.00           H  
HETATM   90  H   UNL     1       8.611  -1.044  -4.263  1.00  0.00           H  
HETATM   91  H   UNL     1       3.349  -4.783  -2.534  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.395   2.920   4.668  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.983   1.772   5.680  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.706  -4.243   1.122  1.00  0.00           H  
HETATM   95  H   UNL     1       0.190  -5.443  -0.787  1.00  0.00           H  
CONECT    1   32   32   31   30                                       
CONECT    2   34    3    3   32                                       
CONECT    3   33    2    2    4                                       
CONECT    4    3    5    5   30                                       
CONECT    5    4    4                                                 
CONECT    6    7   34   42   60                                       
CONECT    7   40    8    6   61                                       
CONECT    8   41    7    9   62                                       
CONECT    9    8   10   42   63                                       
CONECT   10   43    9   64   65                                       
CONECT   11   34   33   33   66                                       
CONECT   12   35   39   39   67                                       
CONECT   13   37   38   36   36                                       
CONECT   14   38   48   48   15                                       
CONECT   15   14   16   16   35                                       
CONECT   16   36   15   15   39                                       
CONECT   17   18   39   47   68                                       
CONECT   18   19   49   17   69                                       
CONECT   19   50   18   20   70                                       
CONECT   20   19   21   47   71                                       
CONECT   21   20   51   72   73                                       
CONECT   22   23   35   74   75                                       
CONECT   23   27   27   25   22                                       
CONECT   24   26   25   25   76                                       
CONECT   25   24   24   23   77                                       
CONECT   26   28   28   24   78                                       
CONECT   27   28   23   23   79                                       
CONECT   28   29   26   26   27                                       
CONECT   29   28   80   81   82                                       
CONECT   30    4    1   83                                            
CONECT   31    1   84   85                                            
CONECT   32    2    1    1                                            
CONECT   33   11   11    3                                            
CONECT   34    6   11    2                                            
CONECT   35   15   22   12                                            
CONECT   36   13   13   16                                            
CONECT   37   13   86   87                                            
CONECT   38   13   14   88                                            
CONECT   39   16   12   12   17                                       
CONECT   40    7   89                                                 
CONECT   41    8   90                                                 
CONECT   42    6    9                                                 
CONECT   43   57   10                                                 
CONECT   44   57   57                                                 
CONECT   45   57   91                                                 
CONECT   46   59   57                                                 
CONECT   47   20   17                                                 
CONECT   48   14   14                                                 
CONECT   49   18   92                                                 
CONECT   50   19   93                                                 
CONECT   51   58   21                                                 
CONECT   52   58   94                                                 
CONECT   53   58   58                                                 
CONECT   54   58   59                                                 
CONECT   55   59   95                                                 
CONECT   56   59   59                                                 
CONECT   57   44   44   43   46                                       
CONECT   57   45                                                      
CONECT   58   53   53   52   54                                       
CONECT   58   51                                                      
CONECT   59   54   56   56   55                                       
CONECT   59   46                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   38                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   45                                                      
CONECT   92   49                                                      
CONECT   93   50                                                      
CONECT   94   52                                                      
CONECT   95   55                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
