COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.948   1.335   0.163  1.00  0.00           N  
HETATM    2  C   UNL     1       1.729   1.954  -1.011  1.00  0.00           C  
HETATM    3  C   UNL     1       2.500   1.312  -2.010  1.00  0.00           C  
HETATM    4  C   UNL     1       3.186   0.300  -1.424  1.00  0.00           C  
HETATM    5  C   UNL     1       2.844   0.296  -0.049  1.00  0.00           C  
HETATM    6  C   UNL     1       4.134  -0.649  -2.111  1.00  0.00           C  
HETATM    7  O   UNL     1       0.990   2.907  -1.186  1.00  0.00           O  
HETATM    8  C   UNL     1       2.550   1.687  -3.469  1.00  0.00           C  
HETATM    9  C   UNL     1       1.470   0.916  -4.231  1.00  0.00           C  
HETATM   10  C   UNL     1       1.519   1.291  -5.689  1.00  0.00           C  
HETATM   11  O   UNL     1       2.334   2.094  -6.080  1.00  0.00           O  
HETATM   12  O   UNL     1       0.658   0.735  -6.555  1.00  0.00           O  
HETATM   13  C   UNL     1       3.321  -0.575   0.905  1.00  0.00           C  
HETATM   14  N   UNL     1       1.583  -0.005   2.576  1.00  0.00           N  
HETATM   15  C   UNL     1       2.790  -0.549   2.213  1.00  0.00           C  
HETATM   16  C   UNL     1       3.399  -1.077   3.345  1.00  0.00           C  
HETATM   17  C   UNL     1       2.552  -0.845   4.431  1.00  0.00           C  
HETATM   18  C   UNL     1       1.411  -0.172   3.932  1.00  0.00           C  
HETATM   19  C   UNL     1       4.738  -1.767   3.394  1.00  0.00           C  
HETATM   20  C   UNL     1       2.797  -1.232   5.830  1.00  0.00           C  
HETATM   21  C   UNL     1       1.955  -2.056   6.449  1.00  0.00           C  
HETATM   22  C   UNL     1       0.313   0.244   4.678  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.230   0.136   2.748  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.916   0.474   4.045  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.030   1.080   4.626  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.037   1.120   3.661  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.522   0.522   2.492  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.126   1.605   6.035  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.391   1.678   3.832  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.169   1.243   4.817  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.209   0.350   1.282  1.00  0.00           C  
HETATM   32  N   UNL     1      -1.437  -1.002   0.299  1.00  0.00           N  
HETATM   33  C   UNL     1      -2.630  -0.380   0.251  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.218  -0.612  -1.075  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.327  -1.365  -1.762  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.194  -1.606  -0.858  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.546  -0.104  -1.575  1.00  0.00           C  
HETATM   38  O   UNL     1      -0.193  -2.255  -1.128  1.00  0.00           O  
HETATM   39  C   UNL     1      -2.473  -1.863  -3.177  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.878  -0.837  -4.143  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.023  -1.336  -5.558  1.00  0.00           C  
HETATM   42  O   UNL     1      -2.548  -2.403  -5.771  1.00  0.00           O  
HETATM   43  O   UNL     1      -1.569  -0.594  -6.580  1.00  0.00           O  
HETATM   44  H   UNL     1       1.546   1.572   1.014  1.00  0.00           H  
HETATM   45  H   UNL     1       4.533  -1.354  -1.381  1.00  0.00           H  
HETATM   46  H   UNL     1       3.600  -1.195  -2.889  1.00  0.00           H  
HETATM   47  H   UNL     1       4.953  -0.086  -2.558  1.00  0.00           H  
HETATM   48  H   UNL     1       2.374   2.758  -3.575  1.00  0.00           H  
HETATM   49  H   UNL     1       3.530   1.438  -3.875  1.00  0.00           H  
HETATM   50  H   UNL     1       1.645  -0.154  -4.125  1.00  0.00           H  
HETATM   51  H   UNL     1       0.490   1.165  -3.824  1.00  0.00           H  
HETATM   52  H   UNL     1       0.690   0.975  -7.491  1.00  0.00           H  
HETATM   53  H   UNL     1       4.102  -1.277   0.652  1.00  0.00           H  
HETATM   54  H   UNL     1       0.955   0.425   1.975  1.00  0.00           H  
HETATM   55  H   UNL     1       4.601  -2.838   3.240  1.00  0.00           H  
HETATM   56  H   UNL     1       5.382  -1.368   2.610  1.00  0.00           H  
HETATM   57  H   UNL     1       5.200  -1.596   4.366  1.00  0.00           H  
HETATM   58  H   UNL     1       3.659  -0.847   6.354  1.00  0.00           H  
HETATM   59  H   UNL     1       2.134  -2.340   7.476  1.00  0.00           H  
HETATM   60  H   UNL     1       1.092  -2.441   5.926  1.00  0.00           H  
HETATM   61  H   UNL     1       0.407   0.389   5.744  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.636  -0.301   2.118  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.116   2.031   6.198  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.961   0.789   6.739  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.370   2.375   6.188  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.750   2.442   3.158  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.187   1.596   4.898  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.785   0.535   5.537  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.188   0.787   1.150  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.033   0.472  -0.789  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.387   0.529  -2.447  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.177  -0.949  -1.850  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.945  -2.811  -3.284  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.529  -2.008  -3.404  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.406   0.110  -4.036  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.822  -0.692  -3.915  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.662  -0.914  -7.488  1.00  0.00           H  
CONECT    1    2    5   44                                            
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5    6                                       
CONECT    5    1    4   13   13                                       
CONECT    6    4   45   46   47                                       
CONECT    7    2    2                                                 
CONECT    8    3    9   48   49                                       
CONECT    9    8   10   50   51                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   52                                                 
CONECT   13    5    5   15   53                                       
CONECT   14   15   18   54                                            
CONECT   15   13   14   16   16                                       
CONECT   16   15   15   17   19                                       
CONECT   17   16   18   18   20                                       
CONECT   18   14   17   17   22                                       
CONECT   19   16   55   56   57                                       
CONECT   20   17   21   21   58                                       
CONECT   21   20   20   59   60                                       
CONECT   22   18   24   24   61                                       
CONECT   23   24   27   62                                            
CONECT   24   22   22   23   25                                       
CONECT   25   24   26   26   28                                       
CONECT   26   25   25   27   29                                       
CONECT   27   23   26   31   31                                       
CONECT   28   25   63   64   65                                       
CONECT   29   26   30   30   66                                       
CONECT   30   29   29   67   68                                       
CONECT   31   27   27   33   69                                       
CONECT   32   33   33   36                                            
CONECT   33   31   32   32   34                                       
CONECT   34   33   35   35   37                                       
CONECT   35   34   34   36   39                                       
CONECT   36   32   35   38   38                                       
CONECT   37   34   70   71   72                                       
CONECT   38   36   36                                                 
CONECT   39   35   40   73   74                                       
CONECT   40   39   41   75   76                                       
CONECT   41   40   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   77                                                 
CONECT   44    1                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   43                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
