COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.681   0.572   0.926  1.00  0.00           C  
HETATM    2  C   UNL     1       4.748  -0.407  -0.062  1.00  0.00           C  
HETATM    3  C   UNL     1       3.748  -1.352  -0.163  1.00  0.00           C  
HETATM    4  C   UNL     1       1.076  -4.762   0.126  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.940  -1.389  -0.074  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.829  -1.056  -1.563  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.393  -0.167   0.682  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.501   0.859   0.933  1.00  0.00           C  
HETATM    9  C   UNL     1       2.679  -1.328   0.715  1.00  0.00           C  
HETATM   10  C   UNL     1       1.590  -2.363   0.600  1.00  0.00           C  
HETATM   11  C   UNL     1       0.488  -1.872  -0.315  1.00  0.00           C  
HETATM   12  C   UNL     1       2.162  -3.686   0.085  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.391  -2.214   1.722  1.00  0.00           C  
HETATM   14  C   UNL     1       2.607  -0.358   1.698  1.00  0.00           C  
HETATM   15  C   UNL     1       3.605   0.588   1.811  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.909   1.985   1.626  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.212   2.090   2.071  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.117   1.058   1.820  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.700  -0.072   1.116  1.00  0.00           C  
HETATM   20  C   UNL     1       0.636  -4.988   1.573  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.124  -4.307  -0.707  1.00  0.00           C  
HETATM   22  C   UNL     1       5.754   1.592   1.039  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.515   1.163   2.294  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.229   1.518   3.569  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.677   0.450   0.174  1.00  0.00           C  
HETATM   26  C   UNL     1       1.630  -6.068  -0.449  1.00  0.00           C  
HETATM   27  C   UNL     1       6.850   1.772   0.176  1.00  0.00           C  
HETATM   28  C   UNL     1       7.403   4.332   2.541  1.00  0.00           C  
HETATM   29  C   UNL     1       8.793   4.217   3.171  1.00  0.00           C  
HETATM   30  C   UNL     1       8.562   5.169   1.995  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.771   0.531  -2.998  1.00  0.00           C  
HETATM   32  C   UNL     1       0.144   2.134  -4.588  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.131   2.724  -5.193  1.00  0.00           C  
HETATM   34  C   UNL     1       1.110   1.419  -5.535  1.00  0.00           C  
HETATM   35  C   UNL     1       1.474   2.791  -4.964  1.00  0.00           C  
HETATM   36  F   UNL     1      -1.922   3.267  -4.174  1.00  0.00           F  
HETATM   37  F   UNL     1      -0.793   3.729  -6.106  1.00  0.00           F  
HETATM   38  F   UNL     1       0.636  -7.052  -0.412  1.00  0.00           F  
HETATM   39  F   UNL     1       2.032  -5.861  -1.773  1.00  0.00           F  
HETATM   40  F   UNL     1       2.727  -6.484   0.313  1.00  0.00           F  
HETATM   41  F   UNL     1      -7.843   0.937  -0.428  1.00  0.00           F  
HETATM   42  F   UNL     1      -5.560   0.936  -0.514  1.00  0.00           F  
HETATM   43  N   UNL     1       0.927  -2.558   1.899  1.00  0.00           N  
HETATM   44  N   UNL     1      -1.294  -2.259   2.658  1.00  0.00           N  
HETATM   45  N   UNL     1      -0.632  -1.817   0.430  1.00  0.00           N  
HETATM   46  N   UNL     1      -5.901   1.539   3.496  1.00  0.00           N  
HETATM   47  N   UNL     1      -7.717   1.132   2.419  1.00  0.00           N  
HETATM   48  N   UNL     1      -6.625   0.896   1.568  1.00  0.00           N  
HETATM   49  N   UNL     1       7.527   2.785   0.665  1.00  0.00           N  
HETATM   50  N   UNL     1       6.935   3.210   1.724  1.00  0.00           N  
HETATM   51  N   UNL     1       5.876   2.524   1.968  1.00  0.00           N  
HETATM   52  N   UNL     1       0.012   1.603  -3.229  1.00  0.00           N  
HETATM   53  O   UNL     1       0.594  -1.585  -1.488  1.00  0.00           O  
HETATM   54  O   UNL     1      -0.974   0.104  -1.737  1.00  0.00           O  
HETATM   55  O   UNL     1      -1.295  -0.051  -3.927  1.00  0.00           O  
HETATM   56 CL   UNL     1      -3.723   3.503   2.941  1.00  0.00          Cl  
HETATM   57  H   UNL     1       5.582  -0.426  -0.749  1.00  0.00           H  
HETATM   58  H   UNL     1       3.799  -2.112  -0.929  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.663  -2.192   0.066  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.400  -1.906  -2.094  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.820  -0.840  -1.962  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.481   0.782   0.587  1.00  0.00           H  
HETATM   63  H   UNL     1       2.998  -3.989   0.715  1.00  0.00           H  
HETATM   64  H   UNL     1       2.508  -3.557  -0.941  1.00  0.00           H  
HETATM   65  H   UNL     1       1.770  -0.344   2.380  1.00  0.00           H  
HETATM   66  H   UNL     1       3.548   1.345   2.579  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.207   2.783   1.820  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.396  -0.873   0.915  1.00  0.00           H  
HETATM   69  H   UNL     1       0.054  -5.908   1.637  1.00  0.00           H  
HETATM   70  H   UNL     1       1.515  -5.070   2.212  1.00  0.00           H  
HETATM   71  H   UNL     1       0.024  -4.148   1.903  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.743  -3.632  -0.115  1.00  0.00           H  
HETATM   73  H   UNL     1       0.228  -3.788  -1.599  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.713  -5.176  -1.001  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.812   1.777   4.441  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.679  -0.639   0.140  1.00  0.00           H  
HETATM   77  H   UNL     1       7.086   1.196  -0.707  1.00  0.00           H  
HETATM   78  H   UNL     1       6.634   4.851   3.113  1.00  0.00           H  
HETATM   79  H   UNL     1       8.938   4.660   4.156  1.00  0.00           H  
HETATM   80  H   UNL     1       9.359   3.306   2.976  1.00  0.00           H  
HETATM   81  H   UNL     1       8.976   4.885   1.028  1.00  0.00           H  
HETATM   82  H   UNL     1       8.555   6.238   2.208  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.687   1.939  -5.705  1.00  0.00           H  
HETATM   84  H   UNL     1       1.647   0.554  -5.147  1.00  0.00           H  
HETATM   85  H   UNL     1       0.836   1.369  -6.589  1.00  0.00           H  
HETATM   86  H   UNL     1       1.440   3.644  -5.642  1.00  0.00           H  
HETATM   87  H   UNL     1       2.251   2.828  -4.200  1.00  0.00           H  
HETATM   88  H   UNL     1       1.339  -2.869   2.720  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.222  -2.073   2.446  1.00  0.00           H  
HETATM   90  H   UNL     1       0.488   2.023  -2.496  1.00  0.00           H  
CONECT    1   15   15    2   22                                       
CONECT    2    1    3    3   57                                       
CONECT    3    9    2    2   58                                       
CONECT    4   12   20   21   26                                       
CONECT    5   45    6    7   59                                       
CONECT    6    5   54   60   61                                       
CONECT    7    5    8    8   19                                       
CONECT    8    7    7   16   62                                       
CONECT    9   10   14   14    3                                       
CONECT   10    9   11   43   12                                       
CONECT   11   10   53   53   45                                       
CONECT   12   10    4   63   64                                       
CONECT   13   43   44   44   45                                       
CONECT   14    9    9   15   65                                       
CONECT   15   14    1    1   66                                       
CONECT   16    8   17   17   67                                       
CONECT   17   16   16   18   56                                       
CONECT   18   17   19   19   23                                       
CONECT   19    7   18   18   68                                       
CONECT   20    4   69   70   71                                       
CONECT   21    4   72   73   74                                       
CONECT   22    1   27   51   51                                       
CONECT   23   18   46   46   48                                       
CONECT   24   46   47   47   75                                       
CONECT   25   48   41   42   76                                       
CONECT   26    4   38   39   40                                       
CONECT   27   22   49   49   77                                       
CONECT   28   50   29   30   78                                       
CONECT   29   28   30   79   80                                       
CONECT   30   28   29   81   82                                       
CONECT   31   54   55   55   52                                       
CONECT   32   52   33   34   35                                       
CONECT   33   32   36   37   83                                       
CONECT   34   32   35   84   85                                       
CONECT   35   32   34   86   87                                       
CONECT   36   33                                                      
CONECT   37   33                                                      
CONECT   38   26                                                      
CONECT   39   26                                                      
CONECT   40   26                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43   10   13   88                                            
CONECT   44   13   13   89                                            
CONECT   45   11   13    5                                            
CONECT   46   23   23   24                                            
CONECT   47   24   24   48                                            
CONECT   48   23   47   25                                            
CONECT   49   27   27   50                                            
CONECT   50   49   51   28                                            
CONECT   51   22   22   50                                            
CONECT   52   31   32   90                                            
CONECT   53   11   11                                                 
CONECT   54    6   31                                                 
CONECT   55   31   31                                                 
CONECT   56   17                                                      
CONECT   57    2                                                      
CONECT   58    3                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    8                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   52                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
