COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.976  -0.441  -3.359  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.323   0.058   0.945  1.00  0.00           C  
HETATM    3  C   UNL     1       4.351   0.205  -1.028  1.00  0.00           C  
HETATM    4  C   UNL     1       6.770  -0.090  -1.024  1.00  0.00           C  
HETATM    5  C   UNL     1       1.269   2.784   1.443  1.00  0.00           C  
HETATM    6  C   UNL     1       8.020  -0.758  -0.512  1.00  0.00           C  
HETATM    7  C   UNL     1       3.274   0.128   0.024  1.00  0.00           C  
HETATM    8  C   UNL     1       2.174   2.276  -0.774  1.00  0.00           C  
HETATM    9  C   UNL     1       1.844   3.448   0.175  1.00  0.00           C  
HETATM   10  C   UNL     1       1.302   1.269   1.150  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.029   0.808   0.613  1.00  0.00           C  
HETATM   12  N   UNL     1       5.566  -0.444  -0.530  1.00  0.00           N  
HETATM   13  N   UNL     1       2.356   1.110   0.122  1.00  0.00           N  
HETATM   14  C   UNL     1       2.616   0.183  -2.825  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.053   0.577   1.458  1.00  0.00           N  
HETATM   16  C   UNL     1       3.562  -1.968  -1.976  1.00  0.00           C  
HETATM   17  C   UNL     1       3.876  -0.505  -2.297  1.00  0.00           C  
HETATM   18  O   UNL     1       6.846   0.766  -1.879  1.00  0.00           O  
HETATM   19  F   UNL     1       8.139  -0.533   0.864  1.00  0.00           F  
HETATM   20  F   UNL     1       7.947  -2.134  -0.756  1.00  0.00           F  
HETATM   21  F   UNL     1       9.135  -0.227  -1.169  1.00  0.00           F  
HETATM   22  O   UNL     1       3.233  -0.818   0.782  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.179   0.647  -0.579  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.489  -1.401   1.375  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.338  -2.234   0.806  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.696  -3.738   0.827  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.333  -4.381   1.167  1.00  0.00           C  
HETATM   28  N   UNL     1       0.420  -3.346   1.886  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.119  -2.130   1.696  1.00  0.00           C  
HETATM   30  O   UNL     1       0.310  -1.099   2.169  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.478   0.889   1.508  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.544   0.716   2.925  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.774   0.434   0.886  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.405   1.084  -0.017  1.00  0.00           N  
HETATM   35  C   UNL     1      -6.554   0.558  -0.483  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.438   1.054  -1.463  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.568   0.350  -1.796  1.00  0.00           C  
HETATM   38 CL   UNL     1      -9.646   0.975  -3.005  1.00  0.00          Cl  
HETATM   39  C   UNL     1      -8.858  -0.858  -1.174  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.009  -1.360  -0.214  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.857  -0.660   0.135  1.00  0.00           C  
HETATM   42  S   UNL     1      -5.577  -1.015   1.292  1.00  0.00           S  
HETATM   43  C   UNL     1       2.600   3.536   1.502  1.00  0.00           C  
HETATM   44  C   UNL     1       2.614   4.889   2.217  1.00  0.00           C  
HETATM   45  C   UNL     1       3.875   2.703   1.644  1.00  0.00           C  
HETATM   46  H   UNL     1       5.873  -0.931  -2.983  1.00  0.00           H  
HETATM   47  H   UNL     1       4.637  -0.947  -4.263  1.00  0.00           H  
HETATM   48  H   UNL     1       5.199   0.601  -3.588  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.328   0.119  -0.143  1.00  0.00           H  
HETATM   50  H   UNL     1       4.564   1.250  -1.254  1.00  0.00           H  
HETATM   51  H   UNL     1       0.399   3.190   1.960  1.00  0.00           H  
HETATM   52  H   UNL     1       1.347   2.100  -1.463  1.00  0.00           H  
HETATM   53  H   UNL     1       3.091   2.478  -1.326  1.00  0.00           H  
HETATM   54  H   UNL     1       1.394   4.340  -0.261  1.00  0.00           H  
HETATM   55  H   UNL     1       1.562   0.713   2.051  1.00  0.00           H  
HETATM   56  H   UNL     1       5.505  -1.129   0.154  1.00  0.00           H  
HETATM   57  H   UNL     1       2.848   1.216  -3.086  1.00  0.00           H  
HETATM   58  H   UNL     1       2.258  -0.343  -3.711  1.00  0.00           H  
HETATM   59  H   UNL     1       1.844   0.167  -2.056  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.949   0.754   2.406  1.00  0.00           H  
HETATM   61  H   UNL     1       2.779  -2.014  -1.219  1.00  0.00           H  
HETATM   62  H   UNL     1       3.224  -2.474  -2.880  1.00  0.00           H  
HETATM   63  H   UNL     1       4.460  -2.458  -1.600  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.479  -1.464   2.463  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.436  -1.786   0.998  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.101  -1.913  -0.208  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.432  -3.953   1.602  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.050  -4.069  -0.149  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.476  -5.254   1.804  1.00  0.00           H  
HETATM   70  H   UNL     1       0.190  -4.662   0.253  1.00  0.00           H  
HETATM   71  H   UNL     1       1.206  -3.518   2.428  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.225   1.992  -1.954  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.751  -1.403  -1.444  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.237  -2.299   0.268  1.00  0.00           H  
HETATM   75  H   UNL     1       2.313   4.755   3.256  1.00  0.00           H  
HETATM   76  H   UNL     1       3.620   5.308   2.181  1.00  0.00           H  
HETATM   77  H   UNL     1       1.920   5.569   1.722  1.00  0.00           H  
HETATM   78  H   UNL     1       3.963   2.026   0.794  1.00  0.00           H  
HETATM   79  H   UNL     1       4.740   3.365   1.673  1.00  0.00           H  
HETATM   80  H   UNL     1       3.830   2.124   2.566  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.314   1.941   1.278  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.688  -0.199   3.203  1.00  0.00           H  
CONECT    1   17   46   47   48                                       
CONECT    2   31   15   24   49                                       
CONECT    3    7   17   12   50                                       
CONECT    4   12   18   18    6                                       
CONECT    5   43    9   10   51                                       
CONECT    6    4   20   21   19                                       
CONECT    7   13   22   22    3                                       
CONECT    8    9   13   52   53                                       
CONECT    9    5   43    8   54                                       
CONECT   10    5   11   13   55                                       
CONECT   11   15   23   23   10                                       
CONECT   12    3    4   56                                            
CONECT   13   10    8    7                                            
CONECT   14   17   57   58   59                                       
CONECT   15    2   11   60                                            
CONECT   16   17   61   62   63                                       
CONECT   17   16    3   14    1                                       
CONECT   18    4    4                                                 
CONECT   19    6                                                      
CONECT   20    6                                                      
CONECT   21    6                                                      
CONECT   22    7    7                                                 
CONECT   23   11   11                                                 
CONECT   24    2   25   64   65                                       
CONECT   25   24   26   29   66                                       
CONECT   26   25   27   67   68                                       
CONECT   27   26   28   69   70                                       
CONECT   28   29   27   71                                            
CONECT   29   25   30   30   28                                       
CONECT   30   29   29                                                 
CONECT   31   33   32    2   81                                       
CONECT   32   31   82                                                 
CONECT   33   42   34   34   31                                       
CONECT   34   35   33   33                                            
CONECT   35   41   41   36   34                                       
CONECT   36   37   37   35   72                                       
CONECT   37   39   38   36   36                                       
CONECT   38   37                                                      
CONECT   39   40   40   37   73                                       
CONECT   40   39   39   41   74                                       
CONECT   41   40   42   35   35                                       
CONECT   42   41   33                                                 
CONECT   43   44    5    9   45                                       
CONECT   44   43   75   76   77                                       
CONECT   45   43   78   79   80                                       
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    5                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   36                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   44                                                      
CONECT   76   44                                                      
CONECT   77   44                                                      
CONECT   78   45                                                      
CONECT   79   45                                                      
CONECT   80   45                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
