COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.246  -0.089   0.931  1.00  0.00           N  
HETATM    2  N   UNL     1       1.704   0.653   0.310  1.00  0.00           N  
HETATM    3  C   UNL     1       0.463   1.012   0.537  1.00  0.00           C  
HETATM    4  C   UNL     1       0.275  -2.569   1.296  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.668  -0.124   1.281  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.500  -0.342   0.015  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.798  -0.784  -0.859  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.927  -3.037   0.475  1.00  0.00           C  
HETATM    9  C   UNL     1       0.277   4.746   0.185  1.00  0.00           C  
HETATM   10  C   UNL     1       7.180  -1.603  -1.843  1.00  0.00           C  
HETATM   11  C   UNL     1       8.070  -0.930  -2.659  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.458   2.585   0.334  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.958   3.863   0.198  1.00  0.00           C  
HETATM   14  C   UNL     1       6.560   0.467  -0.812  1.00  0.00           C  
HETATM   15  O   UNL     1       3.033  -2.669   0.558  1.00  0.00           O  
HETATM   16  C   UNL     1       3.064  -1.463   0.405  1.00  0.00           C  
HETATM   17  N   UNL     1       4.227  -0.851   0.108  1.00  0.00           N  
HETATM   18  CA  UNL     1       5.455  -1.638  -0.030  1.00  0.00           C  
HETATM   19  C   UNL     1       6.085  -1.847   1.349  1.00  0.00           C  
HETATM   20  O   UNL     1       6.502  -0.586   1.878  1.00  0.00           O  
HETATM   21  C   UNL     1       6.425  -0.904  -0.919  1.00  0.00           C  
HETATM   22  C   UNL     1       7.450   1.140  -1.628  1.00  0.00           C  
HETATM   23  C   UNL     1       8.205   0.442  -2.552  1.00  0.00           C  
HETATM   24  CA  UNL     1       1.829  -0.671   0.544  1.00  0.00           C  
HETATM   25  C   UNL     1       0.609  -1.145   0.932  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.063  -2.648   2.786  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.078   2.380   0.391  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.093   4.943   0.123  1.00  0.00           C  
HETATM   29  F   UNL     1      -1.588   6.193  -0.009  1.00  0.00           F  
HETATM   30  C   UNL     1       0.788   3.472   0.315  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.980  -0.442   0.388  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.423   0.808   0.920  1.00  0.00           O  
HETATM   33  C   UNL     1      -6.260  -1.007  -0.464  1.00  0.00           C  
HETATM   34  O   UNL     1      -6.812   0.216   0.026  1.00  0.00           O  
HETATM   35  C   UNL     1      -7.053  -1.470  -1.688  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.463  -1.807  -1.274  1.00  0.00           C  
HETATM   37  O   UNL     1      -9.346  -2.239  -2.188  1.00  0.00           O  
HETATM   38  O   UNL     1      -8.798  -1.688  -0.119  1.00  0.00           O  
HETATM   39  H   UNL     1       1.132  -3.209   1.084  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.850  -0.939   1.980  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.952   0.822   1.743  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.352   0.496  -0.666  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.185  -1.265  -0.472  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.735   0.038  -1.572  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.403  -1.692  -1.315  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.742  -2.846  -0.582  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.080  -4.105   0.630  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.817  -2.493   0.791  1.00  0.00           H  
HETATM   49  H   UNL     1       0.946   5.592   0.125  1.00  0.00           H  
HETATM   50  H   UNL     1       7.071  -2.674  -1.930  1.00  0.00           H  
HETATM   51  H   UNL     1       8.660  -1.476  -3.381  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.132   1.743   0.393  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.025   4.022   0.154  1.00  0.00           H  
HETATM   54  H   UNL     1       5.970   1.013  -0.090  1.00  0.00           H  
HETATM   55  H   UNL     1       4.252   0.111  -0.013  1.00  0.00           H  
HETATM   56  HA  UNL     1       5.218  -2.606  -0.471  1.00  0.00           H  
HETATM   57  H1  UNL     1       5.352  -2.297   2.019  1.00  0.00           H  
HETATM   58  H2  UNL     1       6.948  -2.506   1.258  1.00  0.00           H  
HETATM   59  H   UNL     1       6.911  -0.642   2.752  1.00  0.00           H  
HETATM   60  H   UNL     1       7.555   2.212  -1.545  1.00  0.00           H  
HETATM   61  H   UNL     1       8.901   0.967  -3.189  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.199  -3.691   3.073  1.00  0.00           H  
HETATM   63  H   UNL     1       0.751  -2.215   3.367  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.982  -2.095   2.980  1.00  0.00           H  
HETATM   65  H   UNL     1       1.856   3.319   0.358  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.114  -1.223   1.137  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.332   1.551   0.306  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.314  -1.768   0.314  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.797   0.940  -0.615  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.073  -0.674  -2.431  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.579  -2.354  -2.115  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.238  -2.442  -1.875  1.00  0.00           H  
CONECT    1   25    3    5                                            
CONECT    2   24    3    3                                            
CONECT    3    1    2    2   27                                       
CONECT    4   26   25    8   39                                       
CONECT    5    1    6   40   41                                       
CONECT    6    5   31   42   43                                       
CONECT    7   33   31   44   45                                       
CONECT    8    4   46   47   48                                       
CONECT    9   28   28   30   49                                       
CONECT   10   11   11   21   50                                       
CONECT   11   10   10   23   51                                       
CONECT   12   13   13   27   52                                       
CONECT   13   12   12   28   53                                       
CONECT   14   21   21   22   54                                       
CONECT   15   16   16                                                 
CONECT   16   15   15   17   24                                       
CONECT   17   16   18   55                                            
CONECT   18   17   19   21   56                                       
CONECT   19   18   20   57   58                                       
CONECT   20   19   59                                                 
CONECT   21   10   14   14   18                                       
CONECT   22   14   23   23   60                                       
CONECT   23   11   22   22   61                                       
CONECT   24    2   16   25   25                                       
CONECT   25    1    4   24   24                                       
CONECT   26    4   62   63   64                                       
CONECT   27    3   12   30   30                                       
CONECT   28    9    9   13   29                                       
CONECT   29   28                                                      
CONECT   30    9   27   27   65                                       
CONECT   31    6    7   32   66                                       
CONECT   32   31   67                                                 
CONECT   33    7   35   34   68                                       
CONECT   34   33   69                                                 
CONECT   35   33   36   70   71                                       
CONECT   36   35   38   38   37                                       
CONECT   37   36   72                                                 
CONECT   38   36   36                                                 
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   37                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
