COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -10.777  -2.654  -0.634  1.00  0.00           O  
HETATM    2  C   UNL     1      -9.859  -1.957  -0.230  1.00  0.00           C  
HETATM    3  N   UNL     1      -9.119  -2.343   0.830  1.00  0.00           N  
HETATM    4  C   UNL     1      -8.101  -1.554   1.274  1.00  0.00           C  
HETATM    5  N   UNL     1      -7.363  -1.960   2.356  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.260  -1.127   2.844  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.676  -3.225   3.025  1.00  0.00           C  
HETATM    8  N   UNL     1      -7.807  -0.417   0.685  1.00  0.00           N  
HETATM    9  C   UNL     1      -8.503   0.020  -0.378  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.551  -0.744  -0.864  1.00  0.00           C  
HETATM   11  N   UNL     1     -10.136  -0.101  -1.976  1.00  0.00           N  
HETATM   12  C   UNL     1     -11.269  -0.584  -2.770  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.389   1.148  -2.183  1.00  0.00           C  
HETATM   14  N   UNL     1      -8.361   1.171  -1.135  1.00  0.00           N  
HETATM   15  C   UNL     1      -7.364   2.223  -0.928  1.00  0.00           C  
HETATM   16  O   UNL     1      -6.038   1.654  -0.858  1.00  0.00           O  
HETATM   17  C   UNL     1      -7.576   2.903   0.443  1.00  0.00           C  
HETATM   18  O   UNL     1      -8.303   4.125   0.296  1.00  0.00           O  
HETATM   19  C   UNL     1      -6.141   3.183   0.948  1.00  0.00           C  
HETATM   20  O   UNL     1      -5.938   4.587   1.125  1.00  0.00           O  
HETATM   21  C   UNL     1      -5.234   2.643  -0.180  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.978   1.997   0.408  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.135   1.544  -0.653  1.00  0.00           O  
HETATM   24  P   UNL     1      -1.839   0.878   0.034  1.00  0.00           P  
HETATM   25  O   UNL     1      -2.270  -0.174   0.981  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.012   2.009   0.828  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.904   0.228  -1.103  1.00  0.00           O  
HETATM   28  P   UNL     1       0.045  -0.845  -0.367  1.00  0.00           P  
HETATM   29  O   UNL     1       0.491  -0.298   0.934  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.775  -2.209  -0.124  1.00  0.00           O  
HETATM   31  O   UNL     1       1.329  -1.148  -1.290  1.00  0.00           O  
HETATM   32  P   UNL     1       2.409  -1.891  -0.356  1.00  0.00           P  
HETATM   33  O   UNL     1       2.416  -1.264   0.985  1.00  0.00           O  
HETATM   34  O   UNL     1       2.019  -3.447  -0.218  1.00  0.00           O  
HETATM   35  O   UNL     1       3.871  -1.761  -1.017  1.00  0.00           O  
HETATM   36  C   UNL     1       4.796  -2.332  -0.090  1.00  0.00           C  
HETATM   37  C   UNL     1       6.213  -2.240  -0.661  1.00  0.00           C  
HETATM   38  O   UNL     1       6.618  -0.863  -0.743  1.00  0.00           O  
HETATM   39  C   UNL     1       7.203  -2.958   0.277  1.00  0.00           C  
HETATM   40  O   UNL     1       7.860  -4.029  -0.404  1.00  0.00           O  
HETATM   41  C   UNL     1       8.222  -1.854   0.664  1.00  0.00           C  
HETATM   42  O   UNL     1       9.554  -2.372   0.675  1.00  0.00           O  
HETATM   43  C   UNL     1       8.038  -0.826  -0.482  1.00  0.00           C  
HETATM   44  N   UNL     1       8.448   0.513  -0.049  1.00  0.00           N  
HETATM   45  C   UNL     1       7.646   1.456   0.526  1.00  0.00           C  
HETATM   46  N   UNL     1       8.339   2.526   0.783  1.00  0.00           N  
HETATM   47  C   UNL     1       9.622   2.335   0.390  1.00  0.00           C  
HETATM   48  C   UNL     1       9.706   1.043  -0.141  1.00  0.00           C  
HETATM   49  N   UNL     1      10.875   0.596  -0.614  1.00  0.00           N  
HETATM   50  C   UNL     1      11.953   1.346  -0.581  1.00  0.00           C  
HETATM   51  N   UNL     1      13.131   0.842  -1.073  1.00  0.00           N  
HETATM   52  N   UNL     1      11.936   2.610  -0.071  1.00  0.00           N  
HETATM   53  C   UNL     1      10.790   3.132   0.420  1.00  0.00           C  
HETATM   54  O   UNL     1      10.765   4.262   0.878  1.00  0.00           O  
HETATM   55  H   UNL     1      -9.316  -3.178   1.282  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.794  -1.608   3.704  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.521  -1.003   2.052  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.645  -0.150   3.138  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.988  -3.377   3.856  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.699  -3.194   3.401  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.575  -4.046   2.315  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.609  -1.540  -2.372  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.081   0.141  -2.721  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.957  -0.712  -3.806  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.923   1.149  -3.168  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.053   2.006  -2.078  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.418   2.960  -1.729  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.096   2.230   1.125  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.350   4.529   1.173  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.952   2.650   1.879  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.528   4.867   1.838  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.962   3.446  -0.865  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.442   2.728   1.012  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.263   1.150   1.032  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.752   2.674   0.176  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.046  -2.531  -0.994  1.00  0.00           H  
HETATM   77  H   UNL     1       2.026  -3.817  -1.111  1.00  0.00           H  
HETATM   78  H   UNL     1       4.749  -1.788   0.853  1.00  0.00           H  
HETATM   79  H   UNL     1       4.541  -3.378   0.081  1.00  0.00           H  
HETATM   80  H   UNL     1       6.244  -2.695  -1.651  1.00  0.00           H  
HETATM   81  H   UNL     1       6.688  -3.329   1.163  1.00  0.00           H  
HETATM   82  H   UNL     1       8.507  -4.397   0.213  1.00  0.00           H  
HETATM   83  H   UNL     1       7.971  -1.411   1.628  1.00  0.00           H  
HETATM   84  H   UNL     1       9.603  -3.002   1.406  1.00  0.00           H  
HETATM   85  H   UNL     1       8.599  -1.131  -1.365  1.00  0.00           H  
HETATM   86  H   UNL     1       6.594   1.332   0.736  1.00  0.00           H  
HETATM   87  H   UNL     1      13.935   1.384  -1.055  1.00  0.00           H  
HETATM   88  H   UNL     1      13.159  -0.056  -1.438  1.00  0.00           H  
HETATM   89  H   UNL     1      12.750   3.138  -0.062  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   10                                       
CONECT    3    2    4   55                                            
CONECT    4    3    5    8    8                                       
CONECT    5    4    6    7                                            
CONECT    6    5   56   57   58                                       
CONECT    7    5   59   60   61                                       
CONECT    8    4    4    9                                            
CONECT    9    8   10   10   14                                       
CONECT   10    2    9    9   11                                       
CONECT   11   10   12   13                                            
CONECT   12   11   62   63   64                                       
CONECT   13   11   14   65   66                                       
CONECT   14    9   13   15                                            
CONECT   15   14   16   17   67                                       
CONECT   16   15   21                                                 
CONECT   17   15   18   19   68                                       
CONECT   18   17   69                                                 
CONECT   19   17   20   21   70                                       
CONECT   20   19   71                                                 
CONECT   21   16   19   22   72                                       
CONECT   22   21   23   73   74                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24   75                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   76                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   33   34                                       
CONECT   32   35                                                      
CONECT   33   32   32                                                 
CONECT   34   32   77                                                 
CONECT   35   32   36                                                 
CONECT   36   35   37   78   79                                       
CONECT   37   36   38   39   80                                       
CONECT   38   37   43                                                 
CONECT   39   37   40   41   81                                       
CONECT   40   39   82                                                 
CONECT   41   39   42   43   83                                       
CONECT   42   41   84                                                 
CONECT   43   38   41   44   85                                       
CONECT   44   43   45   48                                            
CONECT   45   44   46   46   86                                       
CONECT   46   45   45   47                                            
CONECT   47   46   48   48   53                                       
CONECT   48   44   47   47   49                                       
CONECT   49   48   50   50                                            
CONECT   50   49   49   51   52                                       
CONECT   51   50   87   88                                            
CONECT   52   50   53   89                                            
CONECT   53   47   52   54   54                                       
CONECT   54   53   53                                                 
CONECT   55    3                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   15                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   26                                                      
CONECT   76   30                                                      
CONECT   77   34                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   43                                                      
CONECT   86   45                                                      
CONECT   87   51                                                      
CONECT   88   51                                                      
CONECT   89   52                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
