COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      19.852  24.562   4.732  1.00  0.00           C  
HETATM    2  F   UNL     1      27.795  27.686   4.876  1.00  0.00           F  
HETATM    3  N   UNL     1      22.704  25.653   5.090  1.00  0.00           N  
HETATM    4  O   UNL     1      19.765  25.892   5.017  1.00  0.00           O  
HETATM    5 NI   UNL     1      21.354  27.094   5.209  1.00  0.00          Ni  
HETATM    6  C   UNL     1      18.670  23.847   4.587  1.00  0.00           C  
HETATM    7  F   UNL     1      27.408  25.003   4.667  1.00  0.00           F  
HETATM    8  N   UNL     1      22.972  28.269   5.301  1.00  0.00           N  
HETATM    9  O   UNL     1      20.035  28.589   5.242  1.00  0.00           O  
HETATM   10  C   UNL     1      18.707  22.481   4.344  1.00  0.00           C  
HETATM   11  N   UNL     1      16.515  19.205   1.868  1.00  0.00           N  
HETATM   12  O   UNL     1      17.554  21.784   4.172  1.00  0.00           O  
HETATM   13  C   UNL     1      19.913  21.798   4.247  1.00  0.00           C  
HETATM   14  N   UNL     1      17.008  36.224   6.138  1.00  0.00           N  
HETATM   15  O   UNL     1      18.427  33.012   5.064  1.00  0.00           O  
HETATM   16  C   UNL     1      21.120  22.453   4.403  1.00  0.00           C  
HETATM   17  C   UNL     1      21.150  23.821   4.645  1.00  0.00           C  
HETATM   18  C   UNL     1      22.483  24.454   4.792  1.00  0.00           C  
HETATM   19  C   UNL     1      24.009  26.136   5.103  1.00  0.00           C  
HETATM   20  C   UNL     1      25.084  25.298   4.889  1.00  0.00           C  
HETATM   21  C   UNL     1      26.356  25.829   4.827  1.00  0.00           C  
HETATM   22  C   UNL     1      26.543  27.196   4.934  1.00  0.00           C  
HETATM   23  C   UNL     1      25.442  28.059   5.093  1.00  0.00           C  
HETATM   24  C   UNL     1      24.172  27.511   5.205  1.00  0.00           C  
HETATM   25  C   UNL     1      22.968  29.536   5.175  1.00  0.00           C  
HETATM   26  C   UNL     1      21.753  30.422   5.154  1.00  0.00           C  
HETATM   27  C   UNL     1      21.931  31.814   5.102  1.00  0.00           C  
HETATM   28  C   UNL     1      20.834  32.684   5.079  1.00  0.00           C  
HETATM   29  C   UNL     1      19.529  32.177   5.105  1.00  0.00           C  
HETATM   30  C   UNL     1      19.312  30.812   5.145  1.00  0.00           C  
HETATM   31  C   UNL     1      20.359  29.911   5.175  1.00  0.00           C  
HETATM   32  C   UNL     1      17.645  20.493   3.578  1.00  0.00           C  
HETATM   33  C   UNL     1      17.109  20.521   2.151  1.00  0.00           C  
HETATM   34  C   UNL     1      16.840  18.779   0.498  1.00  0.00           C  
HETATM   35  C   UNL     1      16.335  17.352   0.290  1.00  0.00           C  
HETATM   36  C   UNL     1      14.838  17.307   0.513  1.00  0.00           C  
HETATM   37  C   UNL     1      14.473  17.877   1.863  1.00  0.00           C  
HETATM   38  C   UNL     1      15.052  19.264   2.039  1.00  0.00           C  
HETATM   39  C   UNL     1      18.434  34.300   5.675  1.00  0.00           C  
HETATM   40  C   UNL     1      16.992  34.806   5.755  1.00  0.00           C  
HETATM   41  C   UNL     1      17.997  36.960   5.333  1.00  0.00           C  
HETATM   42  C   UNL     1      18.154  38.370   5.899  1.00  0.00           C  
HETATM   43  C   UNL     1      16.816  39.102   5.926  1.00  0.00           C  
HETATM   44  C   UNL     1      15.696  38.240   6.523  1.00  0.00           C  
HETATM   45  C   UNL     1      15.684  36.824   5.941  1.00  0.00           C  
HETATM   46  H   UNL     1      17.720  24.355   4.664  1.00  0.00           H  
HETATM   47  H   UNL     1      19.907  20.737   4.046  1.00  0.00           H  
HETATM   48  H   UNL     1      22.045  21.899   4.336  1.00  0.00           H  
HETATM   49  H   UNL     1      23.345  23.824   4.627  1.00  0.00           H  
HETATM   50  H   UNL     1      24.931  24.235   4.771  1.00  0.00           H  
HETATM   51  H   UNL     1      25.583  29.129   5.127  1.00  0.00           H  
HETATM   52  H   UNL     1      23.928  30.020   5.074  1.00  0.00           H  
HETATM   53  H   UNL     1      22.931  32.221   5.079  1.00  0.00           H  
HETATM   54  H   UNL     1      20.995  33.751   5.041  1.00  0.00           H  
HETATM   55  H   UNL     1      18.298  30.441   5.153  1.00  0.00           H  
HETATM   56  H   UNL     1      18.699  20.178   3.561  1.00  0.00           H  
HETATM   57  H   UNL     1      17.052  19.781   4.171  1.00  0.00           H  
HETATM   58  H   UNL     1      17.928  20.725   1.445  1.00  0.00           H  
HETATM   59  H   UNL     1      16.347  21.308   2.050  1.00  0.00           H  
HETATM   60  H   UNL     1      16.354  19.452  -0.224  1.00  0.00           H  
HETATM   61  H   UNL     1      17.929  18.811   0.349  1.00  0.00           H  
HETATM   62  H   UNL     1      16.562  17.029  -0.737  1.00  0.00           H  
HETATM   63  H   UNL     1      16.832  16.680   1.005  1.00  0.00           H  
HETATM   64  H   UNL     1      14.342  17.899  -0.270  1.00  0.00           H  
HETATM   65  H   UNL     1      14.501  16.261   0.464  1.00  0.00           H  
HETATM   66  H   UNL     1      13.377  17.934   1.943  1.00  0.00           H  
HETATM   67  H   UNL     1      14.873  17.220   2.649  1.00  0.00           H  
HETATM   68  H   UNL     1      14.814  19.637   3.046  1.00  0.00           H  
HETATM   69  H   UNL     1      14.621  19.941   1.287  1.00  0.00           H  
HETATM   70  H   UNL     1      18.861  34.231   6.686  1.00  0.00           H  
HETATM   71  H   UNL     1      19.040  34.994   5.074  1.00  0.00           H  
HETATM   72  H   UNL     1      16.437  34.225   6.506  1.00  0.00           H  
HETATM   73  H   UNL     1      16.504  34.692   4.776  1.00  0.00           H  
HETATM   74  H   UNL     1      18.965  36.438   5.370  1.00  0.00           H  
HETATM   75  H   UNL     1      17.654  37.018   4.290  1.00  0.00           H  
HETATM   76  H   UNL     1      18.544  38.301   6.925  1.00  0.00           H  
HETATM   77  H   UNL     1      18.856  38.933   5.266  1.00  0.00           H  
HETATM   78  H   UNL     1      16.925  40.009   6.539  1.00  0.00           H  
HETATM   79  H   UNL     1      16.541  39.368   4.895  1.00  0.00           H  
HETATM   80  H   UNL     1      15.849  38.171   7.610  1.00  0.00           H  
HETATM   81  H   UNL     1      14.730  38.718   6.302  1.00  0.00           H  
HETATM   82  H   UNL     1      15.451  36.866   4.867  1.00  0.00           H  
HETATM   83  H   UNL     1      14.922  36.218   6.453  1.00  0.00           H  
CONECT    1    4    6    6   17                                       
CONECT    2   22                                                      
CONECT    3    5   18   18   19                                       
CONECT    4    1    5                                                 
CONECT    5    3    4    8    9                                       
CONECT    6    1    1   10   46                                       
CONECT    7   21                                                      
CONECT    8    5   24   25   25                                       
CONECT    9    5   31                                                 
CONECT   10    6   12   13   13                                       
CONECT   11   33   34   38                                            
CONECT   12   10   32                                                 
CONECT   13   10   10   16   47                                       
CONECT   14   40   41   45                                            
CONECT   15   29   39                                                 
CONECT   16   13   17   17   48                                       
CONECT   17    1   16   16   18                                       
CONECT   18    3    3   17   49                                       
CONECT   19    3   20   20   24                                       
CONECT   20   19   19   21   50                                       
CONECT   21    7   20   22   22                                       
CONECT   22    2   21   21   23                                       
CONECT   23   22   24   24   51                                       
CONECT   24    8   19   23   23                                       
CONECT   25    8    8   26   52                                       
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28   53                                       
CONECT   28   27   29   29   54                                       
CONECT   29   15   28   28   30                                       
CONECT   30   29   31   31   55                                       
CONECT   31    9   26   30   30                                       
CONECT   32   12   33   56   57                                       
CONECT   33   11   32   58   59                                       
CONECT   34   11   35   60   61                                       
CONECT   35   34   36   62   63                                       
CONECT   36   35   37   64   65                                       
CONECT   37   36   38   66   67                                       
CONECT   38   11   37   68   69                                       
CONECT   39   15   40   70   71                                       
CONECT   40   14   39   72   73                                       
CONECT   41   14   42   74   75                                       
CONECT   42   41   43   76   77                                       
CONECT   43   42   44   78   79                                       
CONECT   44   43   45   80   81                                       
CONECT   45   14   44   82   83                                       
CONECT   46    6                                                      
CONECT   47   13                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   30                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
CONECT   76   42                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
CONECT   81   44                                                      
CONECT   82   45                                                      
CONECT   83   45                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
