COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.451  -1.423   1.019  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.746  -0.947   0.537  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.500   1.443  -0.110  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.027   0.403   0.807  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.549   0.032   0.515  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.814  -1.976   1.032  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.567  -2.242   0.076  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.197  -1.724   0.119  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.261  -2.227  -0.710  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.553  -3.110  -1.493  1.00  0.00           O  
HETATM   11  C   UNL     1       0.119  -1.705  -0.667  1.00  0.00           C  
HETATM   12  C   UNL     1       0.456  -0.693   0.237  1.00  0.00           C  
HETATM   13  C   UNL     1       1.731  -0.208   0.280  1.00  0.00           C  
HETATM   14  C   UNL     1       2.707  -0.721  -0.581  1.00  0.00           C  
HETATM   15  C   UNL     1       2.377  -1.734  -1.488  1.00  0.00           C  
HETATM   16  C   UNL     1       1.092  -2.227  -1.528  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.154  -3.217   1.431  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.315  -3.953   1.907  1.00  0.00           O  
HETATM   19  C   UNL     1      -7.577  -3.692   1.286  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.899  -5.112   1.757  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.852  -4.795   0.261  1.00  0.00           C  
HETATM   22 CL   UNL     1       0.677  -3.488  -2.646  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -7.596   2.165   0.199  1.00  0.00           C  
HETATM   24  O   UNL     1      -8.189   1.954   1.235  1.00  0.00           O  
HETATM   25  C   UNL     1      -8.083   3.235  -0.744  1.00  0.00           C  
HETATM   26  N   UNL     1      -9.470   3.639  -0.398  1.00  0.00           N  
HETATM   27  C   UNL     1      -9.616   4.992  -0.995  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.257   5.679  -0.739  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.249   4.523  -0.574  1.00  0.00           C  
HETATM   30  F   UNL     1      -8.313   6.445   0.430  1.00  0.00           F  
HETATM   31  C   UNL     1       4.044  -0.210  -0.535  1.00  0.00           C  
HETATM   32  C   UNL     1       5.140   0.210  -0.496  1.00  0.00           C  
HETATM   33  C   UNL     1       6.476   0.721  -0.450  1.00  0.00           C  
HETATM   34  C   UNL     1       6.811   1.729   0.459  1.00  0.00           C  
HETATM   35  C   UNL     1       8.101   2.217   0.498  1.00  0.00           C  
HETATM   36  C   UNL     1       9.062   1.711  -0.360  1.00  0.00           C  
HETATM   37  C   UNL     1       8.738   0.713  -1.262  1.00  0.00           C  
HETATM   38  C   UNL     1       7.454   0.211  -1.309  1.00  0.00           C  
HETATM   39  C   UNL     1      10.468   2.250  -0.311  1.00  0.00           C  
HETATM   40  N   UNL     1      11.260   1.466   0.646  1.00  0.00           N  
HETATM   41  C   UNL     1      12.561   2.102   0.899  1.00  0.00           C  
HETATM   42  C   UNL     1      13.327   1.286   1.944  1.00  0.00           C  
HETATM   43  O   UNL     1      13.463  -0.061   1.484  1.00  0.00           O  
HETATM   44  C   UNL     1      12.215  -0.711   1.228  1.00  0.00           C  
HETATM   45  C   UNL     1      11.438   0.084   0.176  1.00  0.00           C  
HETATM   46  H   UNL     1      -4.035  -1.440   2.026  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.688  -0.993   1.084  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.923  -1.077  -0.531  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.025   1.612  -0.938  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.154   0.712   1.844  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.872   0.679   1.072  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.342   0.085  -0.554  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.571  -3.286   0.390  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.952  -2.167  -0.941  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.964  -1.019   0.744  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.295  -0.295   0.904  1.00  0.00           H  
HETATM   57  H   UNL     1       1.987   0.573   0.980  1.00  0.00           H  
HETATM   58  H   UNL     1       3.129  -2.131  -2.154  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.343  -2.930   1.423  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.082  -5.702   2.172  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.878  -5.283   2.204  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.800  -4.757  -0.276  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.004  -5.176  -0.308  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.033   2.884  -1.775  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.142   2.996  -0.790  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.808   4.916  -2.065  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.418   5.540  -0.502  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.984   6.304  -1.589  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.797   4.554   0.417  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.479   4.581  -1.344  1.00  0.00           H  
HETATM   71  H   UNL     1       6.062   2.125   1.128  1.00  0.00           H  
HETATM   72  H   UNL     1       8.361   2.996   1.199  1.00  0.00           H  
HETATM   73  H   UNL     1       9.493   0.323  -1.928  1.00  0.00           H  
HETATM   74  H   UNL     1       7.204  -0.571  -2.010  1.00  0.00           H  
HETATM   75  H   UNL     1      10.919   2.178  -1.301  1.00  0.00           H  
HETATM   76  H   UNL     1      10.447   3.293   0.004  1.00  0.00           H  
HETATM   77  H   UNL     1      13.135   2.137  -0.027  1.00  0.00           H  
HETATM   78  H   UNL     1      12.406   3.114   1.271  1.00  0.00           H  
HETATM   79  H   UNL     1      14.316   1.721   2.093  1.00  0.00           H  
HETATM   80  H   UNL     1      12.780   1.296   2.886  1.00  0.00           H  
HETATM   81  H   UNL     1      12.399  -1.720   0.859  1.00  0.00           H  
HETATM   82  H   UNL     1      11.635  -0.761   2.150  1.00  0.00           H  
HETATM   83  H   UNL     1      10.462  -0.375   0.020  1.00  0.00           H  
HETATM   84  H   UNL     1      11.994   0.088  -0.762  1.00  0.00           H  
CONECT    1    5    6    7   46                                       
CONECT    2    4    6   47   48                                       
CONECT    3   23    4   49                                            
CONECT    4    3    2    5   50                                       
CONECT    5    4    1   51   52                                       
CONECT    6    2    1   17                                            
CONECT    7    1    8   53   54                                       
CONECT    8    7    9   55                                            
CONECT    9   10   10    8   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   12   16                                       
CONECT   12   11   11   13   56                                       
CONECT   13   12   14   14   57                                       
CONECT   14   13   13   15   31                                       
CONECT   15   16   16   14   58                                       
CONECT   16   11   22   15   15                                       
CONECT   17    6   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   21   59                                       
CONECT   20   19   21   60   61                                       
CONECT   21   19   20   62   63                                       
CONECT   22   16                                                      
CONECT   23   25   24   24    3                                       
CONECT   24   23   23                                                 
CONECT   25   26   23   29   64                                       
CONECT   26   25   27   65                                            
CONECT   27   26   28   66   67                                       
CONECT   28   27   29   30   68                                       
CONECT   29   25   28   69   70                                       
CONECT   30   28                                                      
CONECT   31   14   32   32   32                                       
CONECT   32   31   31   31   33                                       
CONECT   33   32   34   34   38                                       
CONECT   34   33   33   35   71                                       
CONECT   35   34   36   36   72                                       
CONECT   36   35   35   37   39                                       
CONECT   37   38   38   36   73                                       
CONECT   38   33   37   37   74                                       
CONECT   39   36   40   75   76                                       
CONECT   40   45   39   41                                            
CONECT   41   40   42   77   78                                       
CONECT   42   43   41   79   80                                       
CONECT   43   44   42                                                 
CONECT   44   45   43   81   82                                       
CONECT   45   44   40   83   84                                       
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
CONECT   83   45                                                      
CONECT   84   45                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
