COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.918  -4.117  -2.771  1.00  0.00           C  
HETATM    2  C   UNL     1       3.746  -3.526  -1.370  1.00  0.00           C  
HETATM    3  C   UNL     1       2.684  -2.424  -1.408  1.00  0.00           C  
HETATM    4  N   UNL     1       2.535  -1.845  -0.066  1.00  0.00           N  
HETATM    5  C   UNL     1       1.482  -0.821  -0.048  1.00  0.00           C  
HETATM    6  C   UNL     1       1.797   0.240  -1.071  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.312   2.944  -2.457  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.063   4.416  -2.123  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.009   2.816  -3.813  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.141   2.290  -1.373  1.00  0.00           C  
HETATM   11  CA  UNL     1      -2.924   1.865   0.027  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.320   2.214   0.477  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.267   1.465  -0.286  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.901   0.040   1.746  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.061  -0.965   0.977  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.791  -2.006   0.436  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.156  -3.183   0.078  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.790  -3.316   0.262  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.062  -2.273   0.804  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.969   0.511   0.217  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.398   1.263  -0.814  1.00  0.00           C  
HETATM   22  C   UNL     1       1.444   2.124   2.932  1.00  0.00           C  
HETATM   23  C   UNL     1       2.272   0.843   3.060  1.00  0.00           C  
HETATM   24  C   UNL     1       1.367  -0.308   3.504  1.00  0.00           C  
HETATM   25  C   UNL     1       4.864  -2.407   0.434  1.00  0.00           C  
HETATM   26  O   UNL     1       2.893   0.276  -1.589  1.00  0.00           O  
HETATM   27  N   UNL     1       0.861   1.149  -1.409  1.00  0.00           N  
HETATM   28  C   UNL     1       1.013   2.163  -2.456  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.361   2.556  -0.943  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.249   0.825   0.637  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.696  -1.096   1.156  1.00  0.00           C  
HETATM   32  F   UNL     1      -5.869  -4.202  -0.451  1.00  0.00           F  
HETATM   33  C   UNL     1       3.812  -1.296   0.411  1.00  0.00           C  
HETATM   34  C   UNL     1       3.631  -0.735   1.823  1.00  0.00           C  
HETATM   35  N   UNL     1       2.872   0.521   1.757  1.00  0.00           N  
HETATM   36  C   UNL     1       3.722   1.625   1.288  1.00  0.00           C  
HETATM   37  C   UNL     1       2.879   2.899   1.178  1.00  0.00           C  
HETATM   38  O   UNL     1       2.278   3.179   2.446  1.00  0.00           O  
HETATM   39  N   UNL     1       5.023  -2.959  -0.918  1.00  0.00           N1+
HETATM   40  H   UNL     1       4.232  -3.333  -3.460  1.00  0.00           H  
HETATM   41  H   UNL     1       4.674  -4.901  -2.744  1.00  0.00           H  
HETATM   42  H   UNL     1       2.970  -4.537  -3.107  1.00  0.00           H  
HETATM   43  H   UNL     1       3.431  -4.310  -0.681  1.00  0.00           H  
HETATM   44  H   UNL     1       2.992  -1.647  -2.107  1.00  0.00           H  
HETATM   45  H   UNL     1       1.732  -2.847  -1.730  1.00  0.00           H  
HETATM   46  H   UNL     1       0.523  -1.281  -0.285  1.00  0.00           H  
HETATM   47  H   UNL     1       1.432  -0.368   0.942  1.00  0.00           H  
HETATM   48  H   UNL     1       0.448   4.490  -1.163  1.00  0.00           H  
HETATM   49  H   UNL     1       0.557   4.865  -2.899  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.016   4.943  -2.069  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.971   3.326  -3.776  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.387   3.268  -4.585  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.165   1.762  -4.043  1.00  0.00           H  
HETATM   54  H1  UNL     1      -4.432   1.972   1.534  1.00  0.00           H  
HETATM   55  H2  UNL     1      -4.494   3.280   0.328  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.189   1.639  -0.050  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.134  -0.359   2.409  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.566   0.693   2.311  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.556  -0.046   1.256  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.856  -1.901   0.293  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.294  -4.234  -0.016  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.997  -2.377   0.948  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.421  -0.298   0.678  1.00  0.00           H  
HETATM   64  H   UNL     1       0.623   1.958   2.235  1.00  0.00           H  
HETATM   65  H   UNL     1       1.043   2.397   3.908  1.00  0.00           H  
HETATM   66  H   UNL     1       3.061   0.991   3.798  1.00  0.00           H  
HETATM   67  H   UNL     1       0.580  -0.458   2.765  1.00  0.00           H  
HETATM   68  H   UNL     1       1.958  -1.220   3.595  1.00  0.00           H  
HETATM   69  H   UNL     1       0.920  -0.068   4.468  1.00  0.00           H  
HETATM   70  H   UNL     1       5.816  -1.999   0.774  1.00  0.00           H  
HETATM   71  H   UNL     1       4.544  -3.197   1.114  1.00  0.00           H  
HETATM   72  H   UNL     1       1.171   1.687  -3.424  1.00  0.00           H  
HETATM   73  H   UNL     1       1.844   2.828  -2.221  1.00  0.00           H  
HETATM   74  H   UNL     1       4.138  -0.500  -0.257  1.00  0.00           H  
HETATM   75  H   UNL     1       3.088  -1.456   2.434  1.00  0.00           H  
HETATM   76  H   UNL     1       4.609  -0.547   2.267  1.00  0.00           H  
HETATM   77  H   UNL     1       4.534   1.787   1.997  1.00  0.00           H  
HETATM   78  H   UNL     1       4.135   1.377   0.311  1.00  0.00           H  
HETATM   79  H   UNL     1       3.516   3.733   0.885  1.00  0.00           H  
HETATM   80  H   UNL     1       2.099   2.755   0.429  1.00  0.00           H  
HETATM   81  H   UNL     1       5.726  -3.683  -0.905  1.00  0.00           H  
HETATM   82  H   UNL     1       5.308  -2.226  -1.549  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2   39    1    3   43                                       
CONECT    3    2    4   44   45                                       
CONECT    4   33    3    5                                            
CONECT    5    4    6   46   47                                       
CONECT    6    5   26   26   27                                       
CONECT    7   28   10    8    9                                       
CONECT    8    7   48   49   50                                       
CONECT    9    7   51   52   53                                       
CONECT   10   21    7   29   29                                       
CONECT   11   30   30   29   12                                       
CONECT   12   11   13   54   55                                       
CONECT   13   12   56                                                 
CONECT   14   30   31   57   58                                       
CONECT   15   31   31   16   59                                       
CONECT   16   17   17   15   60                                       
CONECT   17   18   32   16   16                                       
CONECT   18   19   19   17   61                                       
CONECT   19   18   18   31   62                                       
CONECT   20   21   21   30   63                                       
CONECT   21   27   20   20   10                                       
CONECT   22   23   38   64   65                                       
CONECT   23   35   24   22   66                                       
CONECT   24   23   67   68   69                                       
CONECT   25   39   33   70   71                                       
CONECT   26    6    6                                                 
CONECT   27    6   28   21                                            
CONECT   28   27    7   72   73                                       
CONECT   29   10   10   11                                            
CONECT   30   20   14   11   11                                       
CONECT   31   19   14   15   15                                       
CONECT   32   17                                                      
CONECT   33   25   34    4   74                                       
CONECT   34   33   35   75   76                                       
CONECT   35   34   36   23                                            
CONECT   36   35   37   77   78                                       
CONECT   37   36   38   79   80                                       
CONECT   38   37   22                                                 
CONECT   39   25    2   81   82                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
