COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.271   5.941   1.598  1.00  0.00           N  
HETATM    2  N   UNL     1       6.828  -1.257   0.025  1.00  0.00           N  
HETATM    3  C   UNL     1       1.261   4.359   0.773  1.00  0.00           C  
HETATM    4  C   UNL     1       0.489   4.894   1.817  1.00  0.00           C  
HETATM    5  C   UNL     1       1.955   4.458  -1.564  1.00  0.00           C  
HETATM    6  C   UNL     1       2.749   3.373  -1.354  1.00  0.00           C  
HETATM    7  C   UNL     1       2.819   2.765  -0.096  1.00  0.00           C  
HETATM    8  C   UNL     1       4.359   1.229  -1.056  1.00  0.00           C  
HETATM    9  C   UNL     1       4.779  -1.315  -0.745  1.00  0.00           C  
HETATM   10  C   UNL     1       3.459  -1.806  -1.214  1.00  0.00           C  
HETATM   11  C   UNL     1       1.163  -2.444  -0.768  1.00  0.00           C  
HETATM   12  C   UNL     1       3.261  -2.104  -2.555  1.00  0.00           C  
HETATM   13  CA  UNL     1       1.011  -2.112   1.443  1.00  0.00           C  
HETATM   14  C   UNL     1       0.304  -2.519   0.355  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.135  -2.967   0.347  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.505  -2.216   0.102  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.593  -0.258  -0.367  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.352   6.535   0.415  1.00  0.00           C  
HETATM   19  C   UNL     1       0.355   6.093  -0.661  1.00  0.00           C  
HETATM   20  C   UNL     1       1.193   4.974  -0.505  1.00  0.00           C  
HETATM   21  C   UNL     1       2.089   3.241   0.956  1.00  0.00           C  
HETATM   22  O   UNL     1       3.622   1.683   0.081  1.00  0.00           O  
HETATM   23  C   UNL     1       5.188   0.031  -0.671  1.00  0.00           C  
HETATM   24  N   UNL     1       6.411   0.059  -0.211  1.00  0.00           N  
HETATM   25  C   UNL     1       5.817  -2.085  -0.308  1.00  0.00           C  
HETATM   26  C   UNL     1       8.138  -1.663   0.538  1.00  0.00           C  
HETATM   27  C   UNL     1       2.406  -1.978  -0.304  1.00  0.00           C  
HETATM   28  C   UNL     1       0.992  -2.731  -2.130  1.00  0.00           C  
HETATM   29  C   UNL     1       2.030  -2.564  -3.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.293  -1.780   1.051  1.00  0.00           N  
HETATM   31  C   UNL     1       0.494  -2.037   2.816  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.656  -2.354   3.051  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.044  -1.760   0.111  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.692  -1.322  -0.154  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.984  -0.524  -0.402  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.439  -1.842  -0.223  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.542  -2.845  -0.019  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.174  -2.589   0.015  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.138   1.059  -0.539  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.037   2.062  -0.737  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.406   1.801  -0.771  1.00  0.00           C  
HETATM   42  OXT UNL     1       1.295  -1.616   3.816  1.00  0.00           O  
HETATM   43  O   UNL     1      -4.354  -1.088  -0.118  1.00  0.00           O  
HETATM   44  C   UNL     1      -8.882   0.536  -0.614  1.00  0.00           C  
HETATM   45  C   UNL     1       5.831  -3.589  -0.213  1.00  0.00           C  
HETATM   46  H   UNL     1       0.522   4.445   2.799  1.00  0.00           H  
HETATM   47  H   UNL     1       1.911   4.918  -2.540  1.00  0.00           H  
HETATM   48  H   UNL     1       3.336   2.977  -2.169  1.00  0.00           H  
HETATM   49  H   UNL     1       3.667   0.953  -1.851  1.00  0.00           H  
HETATM   50  H   UNL     1       5.015   2.027  -1.406  1.00  0.00           H  
HETATM   51  H   UNL     1       4.071  -1.977  -3.257  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.283  -3.696  -0.451  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.378  -3.424   1.306  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.653  -2.944  -0.695  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.749  -2.673   1.061  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.998   7.393   0.302  1.00  0.00           H  
HETATM   57  H   UNL     1       0.274   6.591  -1.616  1.00  0.00           H  
HETATM   58  H   UNL     1       2.151   2.763   1.923  1.00  0.00           H  
HETATM   59  H   UNL     1       8.105  -1.706   1.627  1.00  0.00           H  
HETATM   60  H   UNL     1       8.394  -2.647   0.143  1.00  0.00           H  
HETATM   61  H   UNL     1       8.891  -0.940   0.225  1.00  0.00           H  
HETATM   62  H   UNL     1       0.039  -3.090  -2.490  1.00  0.00           H  
HETATM   63  H   UNL     1       1.890  -2.787  -4.047  1.00  0.00           H  
HETATM   64  H   UNL     1       2.998  -1.460   1.635  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.896  -1.032   0.909  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.801  -1.303  -0.848  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.497  -2.057  -0.247  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.897  -3.856   0.117  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.484  -3.404   0.178  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.080   1.276  -0.515  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.685   3.074  -0.870  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.098   2.615  -0.929  1.00  0.00           H  
HETATM   73  HXT UNL     1       0.910  -1.584   4.703  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.945   0.349  -0.643  1.00  0.00           H  
HETATM   75  H   UNL     1       5.472  -3.895   0.769  1.00  0.00           H  
HETATM   76  H   UNL     1       5.183  -4.008  -0.984  1.00  0.00           H  
HETATM   77  H   UNL     1       6.849  -3.953  -0.358  1.00  0.00           H  
CONECT    1    4    4   18                                            
CONECT    2   26   25   24                                            
CONECT    3   21   20   20    4                                       
CONECT    4    3    1    1   46                                       
CONECT    5    6    6   20   47                                       
CONECT    6    7    5    5   48                                       
CONECT    7   22    6   21   21                                       
CONECT    8   23   22   49   50                                       
CONECT    9   25   25   10   23                                       
CONECT   10   27    9   12   12                                       
CONECT   11   14   27   27   28                                       
CONECT   12   10   10   29   51                                       
CONECT   13   31   14   14   30                                       
CONECT   14   13   13   15   11                                       
CONECT   15   14   33   52   53                                       
CONECT   16   33   43   54   55                                       
CONECT   17   39   34   35   35                                       
CONECT   18   19   19    1   56                                       
CONECT   19   20   18   18   57                                       
CONECT   20    5    3    3   19                                       
CONECT   21    7    7    3   58                                       
CONECT   22    8    7                                                 
CONECT   23    9   24   24    8                                       
CONECT   24    2   23   23                                            
CONECT   25   45    2    9    9                                       
CONECT   26    2   59   60   61                                       
CONECT   27   30   11   11   10                                       
CONECT   28   11   29   29   62                                       
CONECT   29   28   28   12   63                                       
CONECT   30   13   27   64                                            
CONECT   31   32   32   42   13                                       
CONECT   32   31   31                                                 
CONECT   33   15   16   65   66                                       
CONECT   34   43   17   38   38                                       
CONECT   35   17   17   44   36                                       
CONECT   36   35   37   37   67                                       
CONECT   37   38   36   36   68                                       
CONECT   38   34   34   37   69                                       
CONECT   39   40   40   17   70                                       
CONECT   40   39   39   41   71                                       
CONECT   41   40   44   44   72                                       
CONECT   42   31   73                                                 
CONECT   43   16   34                                                 
CONECT   44   41   41   35   74                                       
CONECT   45   25   75   76   77                                       
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   12                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
CONECT   72   41                                                      
CONECT   73   42                                                      
CONECT   74   44                                                      
CONECT   75   45                                                      
CONECT   76   45                                                      
CONECT   77   45                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
