COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.342   6.712   1.876  1.00  0.00           N  
HETATM    2  C   UNL     1       1.682   5.844   0.904  1.00  0.00           C  
HETATM    3  C   UNL     1       0.676   4.902   0.368  1.00  0.00           C  
HETATM    4  C   UNL     1       1.025   4.001  -0.639  1.00  0.00           C  
HETATM    5  C   UNL     1       0.082   3.125  -1.134  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.209   3.138  -0.635  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.561   4.029   0.363  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.626   4.906   0.872  1.00  0.00           C  
HETATM    9  S   UNL     1      -2.408   2.016  -1.273  1.00  0.00           S  
HETATM   10  O   UNL     1      -3.662   2.678  -1.190  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.875   1.508  -2.489  1.00  0.00           O  
HETATM   12  N   UNL     1      -2.486   0.734  -0.227  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.303   0.828   0.985  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.629   0.150   0.751  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.673   0.854   0.180  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.889   0.232  -0.035  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.061  -1.093   0.319  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.386  -1.770   0.085  1.00  0.00           C  
HETATM   19  F   UNL     1      -8.581  -2.761   1.053  1.00  0.00           F  
HETATM   20  F   UNL     1      -9.414  -0.825   0.171  1.00  0.00           F  
HETATM   21  F   UNL     1      -8.394  -2.353  -1.187  1.00  0.00           F  
HETATM   22  C   UNL     1      -6.016  -1.796   0.889  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.799  -1.176   1.101  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.737  -0.492  -0.513  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.093  -1.020  -1.915  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.851  -0.991  -2.717  1.00  0.00           N  
HETATM   27  C   UNL     1       0.264  -1.081  -1.741  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.221  -0.196  -0.563  1.00  0.00           C  
HETATM   29  N   UNL     1       0.430  -0.594   0.687  1.00  0.00           N  
HETATM   30  C   UNL     1       1.135   0.403   1.496  1.00  0.00           C  
HETATM   31  C   UNL     1       2.541   0.568   0.977  1.00  0.00           C  
HETATM   32  C   UNL     1       3.583  -0.113   1.578  1.00  0.00           C  
HETATM   33  C   UNL     1       4.872   0.038   1.102  1.00  0.00           C  
HETATM   34  C   UNL     1       5.119   0.870   0.026  1.00  0.00           C  
HETATM   35  C   UNL     1       6.524   1.035  -0.492  1.00  0.00           C  
HETATM   36  F   UNL     1       6.672   2.314  -1.040  1.00  0.00           F  
HETATM   37  F   UNL     1       7.432   0.871   0.560  1.00  0.00           F  
HETATM   38  F   UNL     1       6.774   0.074  -1.477  1.00  0.00           F  
HETATM   39  C   UNL     1       4.076   1.550  -0.575  1.00  0.00           C  
HETATM   40  C   UNL     1       2.786   1.395  -0.102  1.00  0.00           C  
HETATM   41  S   UNL     1       0.369  -2.172   1.186  1.00  0.00           S  
HETATM   42  C   UNL     1       1.882  -2.932   0.701  1.00  0.00           C  
HETATM   43  C   UNL     1       1.994  -3.503  -0.555  1.00  0.00           C  
HETATM   44  C   UNL     1       3.176  -4.100  -0.942  1.00  0.00           C  
HETATM   45  C   UNL     1       4.261  -4.126  -0.064  1.00  0.00           C  
HETATM   46  C   UNL     1       5.531  -4.763  -0.472  1.00  0.00           C  
HETATM   47  O   UNL     1       5.633  -5.265  -1.574  1.00  0.00           O  
HETATM   48  N   UNL     1       6.577  -4.787   0.378  1.00  0.00           N  
HETATM   49  C   UNL     1       4.141  -3.548   1.201  1.00  0.00           C  
HETATM   50  C   UNL     1       2.955  -2.950   1.574  1.00  0.00           C  
HETATM   51  O   UNL     1       0.372  -2.144   2.607  1.00  0.00           O  
HETATM   52  O   UNL     1      -0.656  -2.795   0.424  1.00  0.00           O  
HETATM   53  O   UNL     1       2.816   5.834   0.467  1.00  0.00           O  
HETATM   54  H   UNL     1       0.436   6.720   2.225  1.00  0.00           H  
HETATM   55  H   UNL     1       2.003   7.327   2.230  1.00  0.00           H  
HETATM   56  H   UNL     1       2.032   3.990  -1.030  1.00  0.00           H  
HETATM   57  H   UNL     1       0.351   2.427  -1.914  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.570   4.034   0.749  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.902   5.600   1.651  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.786   0.338   1.811  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.470   1.876   1.232  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.539   1.889  -0.097  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.705   0.782  -0.481  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.150  -2.832   1.166  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.982  -1.727   1.542  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.950  -1.249   0.242  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.465  -2.042  -1.843  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.849  -0.382  -2.372  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.790  -0.142  -3.259  1.00  0.00           H  
HETATM   70  H   UNL     1       0.407  -2.111  -1.413  1.00  0.00           H  
HETATM   71  H   UNL     1       1.184  -0.682  -2.169  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.042   0.858  -0.774  1.00  0.00           H  
HETATM   73  H   UNL     1       0.611   1.357   1.435  1.00  0.00           H  
HETATM   74  H   UNL     1       1.168   0.072   2.534  1.00  0.00           H  
HETATM   75  H   UNL     1       3.391  -0.763   2.419  1.00  0.00           H  
HETATM   76  H   UNL     1       5.687  -0.493   1.572  1.00  0.00           H  
HETATM   77  H   UNL     1       4.269   2.200  -1.416  1.00  0.00           H  
HETATM   78  H   UNL     1       1.971   1.923  -0.574  1.00  0.00           H  
HETATM   79  H   UNL     1       1.154  -3.483  -1.233  1.00  0.00           H  
HETATM   80  H   UNL     1       3.262  -4.545  -1.921  1.00  0.00           H  
HETATM   81  H   UNL     1       6.496  -4.386   1.258  1.00  0.00           H  
HETATM   82  H   UNL     1       7.410  -5.205   0.111  1.00  0.00           H  
HETATM   83  H   UNL     1       4.977  -3.565   1.885  1.00  0.00           H  
HETATM   84  H   UNL     1       2.863  -2.499   2.550  1.00  0.00           H  
CONECT    1    2   54   55                                            
CONECT    2    1    3   53   53                                       
CONECT    3    8    2    4    4                                       
CONECT    4    3    3    5   56                                       
CONECT    5    6    6    4   57                                       
CONECT    6    7    9    5    5                                       
CONECT    7    8    8    6   58                                       
CONECT    8    7    7    3   59                                       
CONECT    9   12   11   11    6                                       
CONECT    9   10   10                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12   24   13    9                                            
CONECT   13   12   14   60   61                                       
CONECT   14   15   13   23   23                                       
CONECT   15   16   16   14   62                                       
CONECT   16   15   15   17   63                                       
CONECT   17   16   18   22   22                                       
CONECT   18   19   20   17   21                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   18                                                      
CONECT   22   17   17   23   64                                       
CONECT   23   14   14   22   65                                       
CONECT   24   25   28   12   66                                       
CONECT   25   26   24   67   68                                       
CONECT   26   27   25   69                                            
CONECT   27   26   28   70   71                                       
CONECT   28   29   27   24   72                                       
CONECT   29   30   41   28                                            
CONECT   30   31   29   73   74                                       
CONECT   31   32   30   40   40                                       
CONECT   32   33   33   31   75                                       
CONECT   33   32   32   34   76                                       
CONECT   34   33   35   39   39                                       
CONECT   35   37   36   34   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
CONECT   39   34   34   40   77                                       
CONECT   40   31   31   39   78                                       
CONECT   41   51   51   42   29                                       
CONECT   41   52   52                                                 
CONECT   42   43   41   50   50                                       
CONECT   43   44   44   42   79                                       
CONECT   44   43   43   45   80                                       
CONECT   45   44   46   49   49                                       
CONECT   46   47   47   45   48                                       
CONECT   47   46   46                                                 
CONECT   48   46   81   82                                            
CONECT   49   45   45   50   83                                       
CONECT   50   42   42   49   84                                       
CONECT   51   41   41                                                 
CONECT   52   41   41                                                 
CONECT   53    2    2                                                 
CONECT   54    1                                                      
CONECT   55    1                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
CONECT   81   48                                                      
CONECT   82   48                                                      
CONECT   83   49                                                      
CONECT   84   50                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
