COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.662   3.615  -2.193  1.00  0.00           C  
HETATM    2  C   UNL     1       1.551   2.136  -0.138  1.00  0.00           C  
HETATM    3  C   UNL     1       5.230   2.435  -0.812  1.00  0.00           C  
HETATM    4  C   UNL     1       6.208   2.334   0.174  1.00  0.00           C  
HETATM    5  C   UNL     1       5.916   1.617   1.467  1.00  0.00           C  
HETATM    6  C   UNL     1       3.894   1.834  -0.585  1.00  0.00           C  
HETATM    7  C   UNL     1       2.788   2.665  -0.348  1.00  0.00           C  
HETATM    8  C   UNL     1       7.683   3.549  -1.249  1.00  0.00           C  
HETATM    9  C   UNL     1       8.537   2.810   0.997  1.00  0.00           C  
HETATM   10  C   UNL     1       1.375   0.747  -0.150  1.00  0.00           C  
HETATM   11  C   UNL     1       2.480  -0.105  -0.388  1.00  0.00           C  
HETATM   12  C   UNL     1       3.747   0.456  -0.609  1.00  0.00           C  
HETATM   13  C   UNL     1       7.454   2.899  -0.048  1.00  0.00           C  
HETATM   14  C   UNL     1       1.084  -1.931  -0.186  1.00  0.00           C  
HETATM   15  C   UNL     1       0.107   0.153   0.069  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.071   0.634  -0.664  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.215   1.638  -0.484  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.601   1.774   1.961  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.482   0.765   1.685  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.324   1.008   2.656  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.931   1.469   1.260  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.929   1.204   0.221  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.238   1.160   0.539  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.241   0.894  -0.506  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.835   0.680  -1.825  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.779   0.432  -2.798  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.121   0.398  -2.467  1.00  0.00           C  
HETATM   28  C   UNL     1     -10.534   0.609  -1.158  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.603   0.848  -0.175  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.000   1.066   1.262  1.00  0.00           C  
HETATM   31  C   UNL     1     -12.230   0.399   0.648  1.00  0.00           C  
HETATM   32  C   UNL     1     -12.010   0.566  -0.856  1.00  0.00           C  
HETATM   33  C   UNL     1       2.095  -4.062  -0.448  1.00  0.00           C  
HETATM   34  C   UNL     1       1.725  -5.546  -0.428  1.00  0.00           C  
HETATM   35  C   UNL     1       0.693  -5.872  -1.526  1.00  0.00           C  
HETATM   36  C   UNL     1       1.135  -7.273  -2.023  1.00  0.00           C  
HETATM   37  C   UNL     1       2.677  -7.173  -1.911  1.00  0.00           C  
HETATM   38  C   UNL     1       3.063  -7.311   0.473  1.00  0.00           C  
HETATM   39  C   UNL     1       2.337  -6.598   1.647  1.00  0.00           C  
HETATM   40  C   UNL     1       2.668  -6.553   2.914  1.00  0.00           C  
HETATM   41  C   UNL     1       1.146  -5.951   0.943  1.00  0.00           C  
HETATM   42  F   UNL     1       6.322   0.283   1.363  1.00  0.00           F  
HETATM   43  F   UNL     1       6.611   2.237   2.511  1.00  0.00           F  
HETATM   44  F   UNL     1       4.814  -0.340  -0.837  1.00  0.00           F  
HETATM   45  F   UNL     1       4.542   1.668   1.728  1.00  0.00           F  
HETATM   46  N   UNL     1       2.284  -1.433  -0.395  1.00  0.00           N  
HETATM   47  N   UNL     1       0.019  -1.169   0.041  1.00  0.00           N  
HETATM   48  N   UNL     1      -1.007   0.930   0.305  1.00  0.00           N  
HETATM   49  N   UNL     1      -3.635   1.621   0.926  1.00  0.00           N  
HETATM   50  N   UNL     1     -11.426   1.392   1.357  1.00  0.00           N  
HETATM   51  N   UNL     1       5.483   3.065  -1.953  1.00  0.00           N  
HETATM   52  N   UNL     1       2.913  -6.393  -0.677  1.00  0.00           N  
HETATM   53  N   UNL     1       6.882   4.270  -3.399  1.00  0.00           N  
HETATM   54  O   UNL     1      -5.273   1.551   2.425  1.00  0.00           O  
HETATM   55  O   UNL     1       0.928  -3.276  -0.201  1.00  0.00           O  
HETATM   56 CL   UNL     1       2.999   4.388  -0.324  1.00  0.00          Cl  
HETATM   57  H   UNL     1       0.708   2.787   0.043  1.00  0.00           H  
HETATM   58  H   UNL     1       8.643   3.999  -1.452  1.00  0.00           H  
HETATM   59  H   UNL     1       8.471   3.670   1.663  1.00  0.00           H  
HETATM   60  H   UNL     1       8.410   1.893   1.573  1.00  0.00           H  
HETATM   61  H   UNL     1       9.512   2.801   0.509  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.444  -0.376  -0.496  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.674   0.712  -1.676  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.871   2.637  -0.751  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.054   1.355  -1.119  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.035   1.581   2.943  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.201   2.787   1.931  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.863  -0.247   1.820  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.697   0.981   3.680  1.00  0.00           H  
HETATM   70  H   UNL     1       0.430   0.233   2.523  1.00  0.00           H  
HETATM   71  H   UNL     1       0.119   1.984   2.456  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.615   1.043  -0.800  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.551   1.321   1.560  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.786   0.710  -2.082  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.471   0.265  -3.820  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.856   0.204  -3.234  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.799   0.159   1.832  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.415   1.888   1.676  1.00  0.00           H  
HETATM   79  H   UNL     1     -13.284   0.543   0.886  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.921  -0.603   0.945  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.475   1.494  -1.189  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.463  -0.274  -1.383  1.00  0.00           H  
HETATM   83  H   UNL     1       2.838  -3.862   0.324  1.00  0.00           H  
HETATM   84  H   UNL     1       2.507  -3.804  -1.424  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.313  -5.912  -1.109  1.00  0.00           H  
HETATM   86  H   UNL     1       0.745  -5.141  -2.332  1.00  0.00           H  
HETATM   87  H   UNL     1       0.747  -8.058  -1.374  1.00  0.00           H  
HETATM   88  H   UNL     1       0.828  -7.436  -3.056  1.00  0.00           H  
HETATM   89  H   UNL     1       3.117  -8.166  -1.822  1.00  0.00           H  
HETATM   90  H   UNL     1       3.087  -6.650  -2.774  1.00  0.00           H  
HETATM   91  H   UNL     1       4.115  -7.464   0.716  1.00  0.00           H  
HETATM   92  H   UNL     1       2.582  -8.264   0.254  1.00  0.00           H  
HETATM   93  H   UNL     1       3.558  -7.061   3.258  1.00  0.00           H  
HETATM   94  H   UNL     1       2.052  -6.009   3.614  1.00  0.00           H  
HETATM   95  H   UNL     1       0.805  -5.073   1.492  1.00  0.00           H  
HETATM   96  H   UNL     1       0.335  -6.669   0.821  1.00  0.00           H  
HETATM   97  H   UNL     1     -11.715   1.473   2.321  1.00  0.00           H  
HETATM   98  H   UNL     1       6.173   4.322  -4.059  1.00  0.00           H  
HETATM   99  H   UNL     1       7.745   4.675  -3.580  1.00  0.00           H  
CONECT    1   53    8    8   51                                       
CONECT    2    7    7   10   57                                       
CONECT    3   51   51    4    6                                       
CONECT    4   13   13    3    5                                       
CONECT    5    4   45   42   43                                       
CONECT    6    3   12   12    7                                       
CONECT    7    6    2    2   56                                       
CONECT    8    1    1   13   58                                       
CONECT    9   13   59   60   61                                       
CONECT   10   11   11   15    2                                       
CONECT   11   12   46   10   10                                       
CONECT   12   44    6    6   11                                       
CONECT   13    8    9    4    4                                       
CONECT   14   55   46   46   47                                       
CONECT   15   47   47   10   48                                       
CONECT   16   48   17   62   63                                       
CONECT   17   16   49   64   65                                       
CONECT   18   19   49   66   67                                       
CONECT   19   48   20   18   68                                       
CONECT   20   19   69   70   71                                       
CONECT   21   49   22   54   54                                       
CONECT   22   21   23   23   72                                       
CONECT   23   22   22   24   73                                       
CONECT   24   25   23   29   29                                       
CONECT   25   26   26   24   74                                       
CONECT   26   25   25   27   75                                       
CONECT   27   26   28   28   76                                       
CONECT   28   27   27   29   32                                       
CONECT   29   24   24   28   30                                       
CONECT   30   29   50   77   78                                       
CONECT   31   32   50   79   80                                       
CONECT   32   28   31   81   82                                       
CONECT   33   34   55   83   84                                       
CONECT   34   52   41   35   33                                       
CONECT   35   36   34   85   86                                       
CONECT   36   37   35   87   88                                       
CONECT   37   52   36   89   90                                       
CONECT   38   39   52   91   92                                       
CONECT   39   40   40   38   41                                       
CONECT   40   39   39   93   94                                       
CONECT   41   39   34   95   96                                       
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44   12                                                      
CONECT   45    5                                                      
CONECT   46   14   14   11                                            
CONECT   47   14   15   15                                            
CONECT   48   15   16   19                                            
CONECT   49   17   18   21                                            
CONECT   50   30   31   97                                            
CONECT   51    1    3    3                                            
CONECT   52   38   37   34                                            
CONECT   53    1   98   99                                            
CONECT   54   21   21                                                 
CONECT   55   33   14                                                 
CONECT   56    7                                                      
CONECT   57    2                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   41                                                      
CONECT   97   50                                                      
CONECT   98   53                                                      
CONECT   99   53                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
