COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.111  -2.875   1.500  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.662  -4.324   1.299  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.642  -3.976   2.421  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.136  -1.936   2.061  1.00  0.00           N  
HETATM    5  N   UNL     1       1.301  -0.838   1.243  1.00  0.00           N  
HETATM    6  C   UNL     1       2.049  -1.901   0.886  1.00  0.00           C  
HETATM    7  C   UNL     1       0.101  -0.881   2.092  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.943  -1.764   1.458  1.00  0.00           C  
HETATM    9  C   UNL     1       3.192  -1.726  -0.082  1.00  0.00           C  
HETATM   10  C   UNL     1       0.226   3.466   0.085  1.00  0.00           C  
HETATM   11  C   UNL     1       5.550  -2.339  -0.071  1.00  0.00           C  
HETATM   12  N   UNL     1       4.283  -2.632   0.284  1.00  0.00           N  
HETATM   13  C   UNL     1       0.363   4.864   0.225  1.00  0.00           C  
HETATM   14  C   UNL     1       1.554   0.561   0.854  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.432   0.563   2.206  1.00  0.00           C  
HETATM   16  C   UNL     1       0.174   1.258   0.956  1.00  0.00           C  
HETATM   17  O   UNL     1       0.323   2.662   1.173  1.00  0.00           O  
HETATM   18  C   UNL     1       0.256   5.674  -0.934  1.00  0.00           C  
HETATM   19  N   UNL     1       0.000   2.945  -1.102  1.00  0.00           N  
HETATM   20  O   UNL     1       6.553  -3.172   0.265  1.00  0.00           O  
HETATM   21  C   UNL     1       2.714  -2.049  -1.499  1.00  0.00           C  
HETATM   22  O   UNL     1       1.803  -2.997   1.342  1.00  0.00           O  
HETATM   23  C   UNL     1       0.599   5.467   1.467  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.710  -2.319   0.405  1.00  0.00           O  
HETATM   25  O   UNL     1       5.786  -1.323  -0.694  1.00  0.00           O  
HETATM   26  C   UNL     1       0.388   7.064  -0.820  1.00  0.00           C  
HETATM   27  C   UNL     1       0.618   7.619   0.404  1.00  0.00           C  
HETATM   28  C   UNL     1       0.723   6.823   1.543  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.109   3.682  -2.201  1.00  0.00           C  
HETATM   30  C   UNL     1       0.018   5.041  -2.173  1.00  0.00           C  
HETATM   31  C   UNL     1       3.876  -1.880  -2.480  1.00  0.00           C  
HETATM   32  C   UNL     1       2.209  -3.493  -1.550  1.00  0.00           C  
HETATM   33  C   UNL     1       1.579  -1.098  -1.884  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.099   5.772  -3.313  1.00  0.00           O  
HETATM   35 CL   UNL     1       1.016   7.569   3.083  1.00  0.00          Cl  
HETATM   36  C   UNL     1      -0.356   5.052  -4.521  1.00  0.00           C  
HETATM   37  C   UNL     1       7.892  -2.792  -0.150  1.00  0.00           C  
HETATM   38  C   UNL     1       8.254  -1.441   0.470  1.00  0.00           C  
HETATM   39  C   UNL     1       8.891  -3.852   0.319  1.00  0.00           C  
HETATM   40  C   UNL     1       7.941  -2.684  -1.675  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.215  -5.072   0.085  1.00  0.00           C  
HETATM   42  F   UNL     1      -2.841  -4.403  -1.086  1.00  0.00           F  
HETATM   43  F   UNL     1      -2.699  -6.372   0.064  1.00  0.00           F  
HETATM   44  C   UNL     1      -4.064  -2.295   0.488  1.00  0.00           C  
HETATM   45  N   UNL     1      -4.117  -0.961   0.298  1.00  0.00           N  
HETATM   46  O   UNL     1      -4.784  -3.028  -0.157  1.00  0.00           O  
HETATM   47  S   UNL     1      -5.249  -0.314  -0.722  1.00  0.00           S  
HETATM   48  O   UNL     1      -5.104  -1.059  -1.924  1.00  0.00           O  
HETATM   49  C   UNL     1      -6.838  -0.685   0.070  1.00  0.00           C  
HETATM   50  O   UNL     1      -4.990   1.083  -0.692  1.00  0.00           O  
HETATM   51  C   UNL     1      -8.111  -0.315  -0.693  1.00  0.00           C  
HETATM   52  C   UNL     1      -7.700  -1.782  -0.557  1.00  0.00           C  
HETATM   53  H   UNL     1      -1.641  -4.578   1.583  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.266  -4.001   3.444  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.681  -4.280   2.295  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.349  -1.439   2.866  1.00  0.00           H  
HETATM   57  H   UNL     1       0.360  -1.260   3.080  1.00  0.00           H  
HETATM   58  H   UNL     1       3.546  -0.696  -0.043  1.00  0.00           H  
HETATM   59  H   UNL     1       4.094  -3.443   0.782  1.00  0.00           H  
HETATM   60  H   UNL     1       2.264   1.023   1.540  1.00  0.00           H  
HETATM   61  H   UNL     1       1.930   0.609  -0.168  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.521   0.576   2.167  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.071   1.035   3.120  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.429   1.062   0.070  1.00  0.00           H  
HETATM   65  H   UNL     1       0.682   4.862   2.358  1.00  0.00           H  
HETATM   66  H   UNL     1       0.309   7.692  -1.695  1.00  0.00           H  
HETATM   67  H   UNL     1       0.720   8.690   0.492  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.295   3.192  -3.145  1.00  0.00           H  
HETATM   69  H   UNL     1       4.684  -2.558  -2.205  1.00  0.00           H  
HETATM   70  H   UNL     1       3.536  -2.111  -3.489  1.00  0.00           H  
HETATM   71  H   UNL     1       4.236  -0.852  -2.443  1.00  0.00           H  
HETATM   72  H   UNL     1       1.381  -3.613  -0.851  1.00  0.00           H  
HETATM   73  H   UNL     1       1.869  -3.723  -2.560  1.00  0.00           H  
HETATM   74  H   UNL     1       3.017  -4.170  -1.276  1.00  0.00           H  
HETATM   75  H   UNL     1       1.960  -0.078  -1.929  1.00  0.00           H  
HETATM   76  H   UNL     1       1.182  -1.381  -2.859  1.00  0.00           H  
HETATM   77  H   UNL     1       0.787  -1.157  -1.138  1.00  0.00           H  
HETATM   78  H   UNL     1       0.456   4.349  -4.705  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.295   4.506  -4.426  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.426   5.753  -5.353  1.00  0.00           H  
HETATM   81  H   UNL     1       8.219  -1.518   1.556  1.00  0.00           H  
HETATM   82  H   UNL     1       9.259  -1.156   0.158  1.00  0.00           H  
HETATM   83  H   UNL     1       7.542  -0.686   0.136  1.00  0.00           H  
HETATM   84  H   UNL     1       8.633  -4.815  -0.123  1.00  0.00           H  
HETATM   85  H   UNL     1       9.896  -3.567   0.007  1.00  0.00           H  
HETATM   86  H   UNL     1       8.856  -3.929   1.405  1.00  0.00           H  
HETATM   87  H   UNL     1       7.229  -1.929  -2.009  1.00  0.00           H  
HETATM   88  H   UNL     1       8.946  -2.399  -1.987  1.00  0.00           H  
HETATM   89  H   UNL     1       7.683  -3.647  -2.116  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.302  -5.114   0.148  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.491  -0.381   0.760  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.856  -0.589   1.156  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.967   0.025  -0.109  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.994   0.152  -1.671  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.313  -2.281  -1.445  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.286  -2.408   0.117  1.00  0.00           H  
CONECT    1   44    3    2    4                                       
CONECT    2   41    3    1   53                                       
CONECT    3    1    2   54   55                                       
CONECT    4    1    8   56                                            
CONECT    5    7    6   14                                            
CONECT    6   22   22    5    9                                       
CONECT    7    8   15    5   57                                       
CONECT    8    4   24   24    7                                       
CONECT    9    6   21   12   58                                       
CONECT   10   17   19   19   13                                       
CONECT   11   12   20   25   25                                       
CONECT   12    9   11   59                                            
CONECT   13   10   23   23   18                                       
CONECT   14    5   16   60   61                                       
CONECT   15    7   16   62   63                                       
CONECT   16   15   17   14   64                                       
CONECT   17   16   10                                                 
CONECT   18   13   30   26   26                                       
CONECT   19   10   10   29                                            
CONECT   20   11   37                                                 
CONECT   21   31   32    9   33                                       
CONECT   22    6    6                                                 
CONECT   23   13   13   28   65                                       
CONECT   24    8    8                                                 
CONECT   25   11   11                                                 
CONECT   26   18   18   27   66                                       
CONECT   27   28   28   26   67                                       
CONECT   28   23   35   27   27                                       
CONECT   29   19   30   30   68                                       
CONECT   30   29   29   18   34                                       
CONECT   31   21   69   70   71                                       
CONECT   32   21   72   73   74                                       
CONECT   33   21   75   76   77                                       
CONECT   34   36   30                                                 
CONECT   35   28                                                      
CONECT   36   34   78   79   80                                       
CONECT   37   20   39   40   38                                       
CONECT   38   37   81   82   83                                       
CONECT   39   37   84   85   86                                       
CONECT   40   37   87   88   89                                       
CONECT   41   43   42    2   90                                       
CONECT   42   41                                                      
CONECT   43   41                                                      
CONECT   44   46   46   45    1                                       
CONECT   45   47   44   91                                            
CONECT   46   44   44                                                 
CONECT   47   50   50   48   48                                       
CONECT   47   49   45                                                 
CONECT   48   47   47                                                 
CONECT   49   52   47   51   92                                       
CONECT   50   47   47                                                 
CONECT   51   52   49   93   94                                       
CONECT   52   49   51   95   96                                       
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    7                                                      
CONECT   58    9                                                      
CONECT   59   12                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   23                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   29                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   39                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   45                                                      
CONECT   92   49                                                      
CONECT   93   51                                                      
CONECT   94   51                                                      
CONECT   95   52                                                      
CONECT   96   52                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
