COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.416   4.097   1.451  1.00  0.00           C  
HETATM    2  C   UNL     1       6.459   4.081   0.067  1.00  0.00           C  
HETATM    3  C   UNL     1       5.807   3.342  -1.104  1.00  0.00           C  
HETATM    4  C   UNL     1       4.886   1.221  -1.737  1.00  0.00           C  
HETATM    5  C   UNL     1       4.610  -0.167  -1.215  1.00  0.00           C  
HETATM    6  C   UNL     1       3.627  -1.942  -0.271  1.00  0.00           C  
HETATM    7  C   UNL     1       3.457  -0.607  -0.577  1.00  0.00           C  
HETATM    8  C   UNL     1       2.174   3.017  -0.636  1.00  0.00           C  
HETATM    9  C   UNL     1       0.884   3.651  -0.181  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.325   2.983   0.035  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.245   3.901   0.424  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.682   3.593   0.761  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.415   2.062  -0.164  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.707   1.379  -0.065  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.070   1.635  -0.284  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.602  -0.535   0.595  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.937  -0.115   0.704  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.018   0.841   0.370  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.624  -2.081   0.455  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.772  -2.955   1.378  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.140  -4.088   0.566  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.810  -3.646   0.016  1.00  0.00           C  
HETATM   23  C   UNL     1       0.427  -3.701   0.705  1.00  0.00           C  
HETATM   24  C   UNL     1       0.809  -4.285   1.922  1.00  0.00           C  
HETATM   25  C   UNL     1       2.072  -4.100   2.396  1.00  0.00           C  
HETATM   26  C   UNL     1       2.985  -3.340   1.681  1.00  0.00           C  
HETATM   27  O   UNL     1       7.720   3.478   0.366  1.00  0.00           O  
HETATM   28  O   UNL     1       5.502   2.002  -0.711  1.00  0.00           O  
HETATM   29  N   UNL     1       5.455  -1.166  -1.296  1.00  0.00           N  
HETATM   30  N   UNL     1       4.850  -2.296  -0.735  1.00  0.00           N  
HETATM   31  C   UNL     1       5.452  -3.637  -0.695  1.00  0.00           C  
HETATM   32  C   UNL     1       2.224   0.201  -0.271  1.00  0.00           C  
HETATM   33  S   UNL     1       2.685   1.750   0.553  1.00  0.00           S  
HETATM   34  C   UNL     1      -3.389   3.108  -0.508  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.731   2.339  -0.385  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.994   0.689   0.048  1.00  0.00           C  
HETATM   37  F   UNL     1     -10.306   0.939  -0.156  1.00  0.00           F  
HETATM   38  C   UNL     1      -7.288  -0.815   0.812  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.309   0.137   0.490  1.00  0.00           C  
HETATM   40  O   UNL     1      -4.530  -1.297   1.234  1.00  0.00           O  
HETATM   41 CL   UNL     1       4.571  -3.094   2.348  1.00  0.00          Cl  
HETATM   42  C   UNL     1       2.656  -2.784   0.450  1.00  0.00           C  
HETATM   43  C   UNL     1       1.383  -3.042  -0.093  1.00  0.00           C  
HETATM   44  N   UNL     1       0.790  -2.822  -1.307  1.00  0.00           N  
HETATM   45  C   UNL     1       1.429  -2.313  -2.523  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.554  -3.157  -1.223  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.528  -2.986  -2.308  1.00  0.00           C  
HETATM   48  O   UNL     1      -2.691  -3.296  -2.135  1.00  0.00           O  
HETATM   49  O   UNL     1      -1.133  -2.486  -3.497  1.00  0.00           O  
HETATM   50  N   UNL     1      -0.639   5.104   0.451  1.00  0.00           N  
HETATM   51  C   UNL     1      -1.255   6.387   0.800  1.00  0.00           C  
HETATM   52  N   UNL     1       0.700   4.918   0.077  1.00  0.00           N  
HETATM   53  H   UNL     1       8.608   5.142   1.210  1.00  0.00           H  
HETATM   54  H   UNL     1       7.808   4.037   2.354  1.00  0.00           H  
HETATM   55  H   UNL     1       9.362   3.582   1.615  1.00  0.00           H  
HETATM   56  H   UNL     1       6.610   5.126  -0.203  1.00  0.00           H  
HETATM   57  H   UNL     1       5.811   4.021   0.941  1.00  0.00           H  
HETATM   58  H   UNL     1       4.888   3.854  -1.390  1.00  0.00           H  
HETATM   59  H   UNL     1       6.493   3.325  -1.951  1.00  0.00           H  
HETATM   60  H   UNL     1       5.553   1.161  -2.597  1.00  0.00           H  
HETATM   61  H   UNL     1       3.948   1.690  -2.037  1.00  0.00           H  
HETATM   62  H   UNL     1       2.023   2.558  -1.614  1.00  0.00           H  
HETATM   63  H   UNL     1       2.946   3.782  -0.712  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.503   1.924  -0.088  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.718   2.806   1.517  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.185   4.480   1.142  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.385   2.574  -0.711  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.354  -1.268   0.848  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.968   0.641   0.522  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.975  -1.421  -0.119  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.190  -2.717  -0.224  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.985  -2.352   1.832  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.398  -3.379   2.161  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.986  -4.951   1.217  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.803  -4.369  -0.249  1.00  0.00           H  
HETATM   76  H   UNL     1       0.100  -4.883   2.477  1.00  0.00           H  
HETATM   77  H   UNL     1       2.369  -4.556   3.330  1.00  0.00           H  
HETATM   78  H   UNL     1       5.191  -4.180  -1.604  1.00  0.00           H  
HETATM   79  H   UNL     1       6.536  -3.546  -0.625  1.00  0.00           H  
HETATM   80  H   UNL     1       5.075  -4.178   0.173  1.00  0.00           H  
HETATM   81  H   UNL     1       1.691   0.428  -1.197  1.00  0.00           H  
HETATM   82  H   UNL     1       1.565  -0.374   0.385  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.889   3.955  -0.983  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.657   2.689  -1.196  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.023   3.290  -0.801  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.002  -1.770   1.230  1.00  0.00           H  
HETATM   87  H   UNL     1       1.813  -3.148  -3.108  1.00  0.00           H  
HETATM   88  H   UNL     1       0.698  -1.760  -3.113  1.00  0.00           H  
HETATM   89  H   UNL     1       2.252  -1.652  -2.251  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.810  -2.392  -4.180  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.157   6.557   1.872  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.754   7.190   0.258  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.310   6.370   0.529  1.00  0.00           H  
CONECT    1   27   53   54   55                                       
CONECT    2   27    3   56   57                                       
CONECT    3   28    2   58   59                                       
CONECT    4    5   28   60   61                                       
CONECT    5    7   29   29    4                                       
CONECT    6   42   30    7    7                                       
CONECT    7    6    6   32    5                                       
CONECT    8    9   33   62   63                                       
CONECT    9   10   52   52    8                                       
CONECT   10   11   11    9   64                                       
CONECT   11   12   10   10   50                                       
CONECT   12   34   11   65   66                                       
CONECT   13   35   35   18   34                                       
CONECT   14   15   15   39   35                                       
CONECT   15   36   14   14   67                                       
CONECT   16   36   36   38   68                                       
CONECT   17   39   40   18   18                                       
CONECT   18   17   17   13   69                                       
CONECT   19   40   20   70   71                                       
CONECT   20   19   21   72   73                                       
CONECT   21   20   22   74   75                                       
CONECT   22   21   23   46   46                                       
CONECT   23   24   22   43   43                                       
CONECT   24   25   25   23   76                                       
CONECT   25   24   24   26   77                                       
CONECT   26   25   41   42   42                                       
CONECT   27    1    2                                                 
CONECT   28    4    3                                                 
CONECT   29   30    5    5                                            
CONECT   30   31    6   29                                            
CONECT   31   30   78   79   80                                       
CONECT   32    7   33   81   82                                       
CONECT   33    8   32                                                 
CONECT   34   13   12   83   84                                       
CONECT   35   14   13   13   85                                       
CONECT   36   37   16   16   15                                       
CONECT   37   36                                                      
CONECT   38   16   39   39   86                                       
CONECT   39   38   38   14   17                                       
CONECT   40   17   19                                                 
CONECT   41   26                                                      
CONECT   42   26   26   43    6                                       
CONECT   43   23   23   42   44                                       
CONECT   44   43   46   45                                            
CONECT   45   44   87   88   89                                       
CONECT   46   22   22   47   44                                       
CONECT   47   46   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   47   90                                                 
CONECT   50   11   51   52                                            
CONECT   51   50   91   92   93                                       
CONECT   52   50    9    9                                            
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    1                                                      
CONECT   56    2                                                      
CONECT   57    2                                                      
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    4                                                      
CONECT   62    8                                                      
CONECT   63    8                                                      
CONECT   64   10                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   38                                                      
CONECT   87   45                                                      
CONECT   88   45                                                      
CONECT   89   45                                                      
CONECT   90   49                                                      
CONECT   91   51                                                      
CONECT   92   51                                                      
CONECT   93   51                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
