COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.331  -1.072   1.026  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.383   0.065   0.986  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.594   1.310   1.025  1.00  0.00           N  
HETATM    4  C   UNL     1       0.706   1.025   1.649  1.00  0.00           C  
HETATM    5  C   UNL     1       0.732  -0.480   1.989  1.00  0.00           C  
HETATM    6  C   UNL     1       1.819   1.351   0.686  1.00  0.00           C  
HETATM    7  O   UNL     1       1.559   1.781  -0.418  1.00  0.00           O  
HETATM    8  N   UNL     1       3.103   1.165   1.052  1.00  0.00           N  
HETATM    9  C   UNL     1       4.184   1.482   0.116  1.00  0.00           C  
HETATM   10  C   UNL     1       4.525   2.970   0.215  1.00  0.00           C  
HETATM   11  C   UNL     1       3.328   3.800  -0.254  1.00  0.00           C  
HETATM   12  F   UNL     1       2.255   3.607   0.623  1.00  0.00           F  
HETATM   13  F   UNL     1       3.678   5.155  -0.271  1.00  0.00           F  
HETATM   14  C   UNL     1       5.402   0.664   0.460  1.00  0.00           C  
HETATM   15  O   UNL     1       5.370  -0.108   1.395  1.00  0.00           O  
HETATM   16  N   UNL     1       6.527   0.790  -0.271  1.00  0.00           N  
HETATM   17  S   UNL     1       7.865  -0.109   0.107  1.00  0.00           S  
HETATM   18  O   UNL     1       8.842   0.299  -0.842  1.00  0.00           O  
HETATM   19  O   UNL     1       8.056   0.114   1.497  1.00  0.00           O  
HETATM   20  C   UNL     1       7.360  -1.824  -0.199  1.00  0.00           C  
HETATM   21  C   UNL     1       8.394  -2.922   0.059  1.00  0.00           C  
HETATM   22  C   UNL     1       8.010  -2.553  -1.376  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.998   2.510   0.565  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.396   2.679   0.026  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.923   3.983   0.437  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.254   4.173   0.530  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.739   5.371   0.908  1.00  0.00           O  
HETATM   28  C   UNL     1      -6.182   5.503   0.987  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.731   4.499   2.003  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.541   6.923   1.428  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.796   5.225  -0.387  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.017   3.262   0.275  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.367   2.599  -1.501  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.686   1.298  -1.931  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.799   2.626  -2.040  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.588   3.791  -2.060  1.00  0.00           C  
HETATM   37  O   UNL     1      -0.238   3.455   0.584  1.00  0.00           O  
HETATM   38  O   UNL     1      -0.894  -2.272   1.560  1.00  0.00           O  
HETATM   39  C   UNL     1      -1.545  -3.086   0.692  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.196  -4.257   1.143  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.189  -4.614   2.499  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.824  -5.747   2.905  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.487  -6.565   1.985  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.512  -6.243   0.647  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.864  -5.079   0.201  1.00  0.00           C  
HETATM   46  N   UNL     1      -2.874  -4.743  -1.093  1.00  0.00           N  
HETATM   47  C   UNL     1      -2.270  -3.652  -1.528  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.595  -2.791  -0.656  1.00  0.00           C  
HETATM   49  C   UNL     1      -2.314  -3.329  -2.975  1.00  0.00           C  
HETATM   50  C   UNL     1      -2.985  -4.172  -3.860  1.00  0.00           C  
HETATM   51  C   UNL     1      -3.022  -3.867  -5.206  1.00  0.00           C  
HETATM   52  C   UNL     1      -2.394  -2.727  -5.676  1.00  0.00           C  
HETATM   53  C   UNL     1      -1.726  -1.888  -4.803  1.00  0.00           C  
HETATM   54  C   UNL     1      -1.688  -2.180  -3.455  1.00  0.00           C  
HETATM   55  O   UNL     1      -4.112  -7.691   2.416  1.00  0.00           O  
HETATM   56  C   UNL     1      -4.051  -7.972   3.816  1.00  0.00           C  
HETATM   57  H   UNL     1       0.092  -1.247   0.037  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.964   0.012   0.065  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.041   0.004   1.853  1.00  0.00           H  
HETATM   60  H   UNL     1       0.817   1.613   2.560  1.00  0.00           H  
HETATM   61  H   UNL     1       0.445  -0.646   3.028  1.00  0.00           H  
HETATM   62  H   UNL     1       1.715  -0.905   1.787  1.00  0.00           H  
HETATM   63  H   UNL     1       3.310   0.822   1.935  1.00  0.00           H  
HETATM   64  H   UNL     1       3.865   1.249  -0.900  1.00  0.00           H  
HETATM   65  H   UNL     1       4.758   3.221   1.250  1.00  0.00           H  
HETATM   66  H   UNL     1       5.387   3.189  -0.415  1.00  0.00           H  
HETATM   67  H   UNL     1       3.039   3.486  -1.257  1.00  0.00           H  
HETATM   68  H   UNL     1       6.553   1.407  -1.019  1.00  0.00           H  
HETATM   69  H   UNL     1       6.317  -2.053   0.021  1.00  0.00           H  
HETATM   70  H   UNL     1       9.378  -2.614   0.412  1.00  0.00           H  
HETATM   71  H   UNL     1       8.031  -3.874   0.449  1.00  0.00           H  
HETATM   72  H   UNL     1       7.396  -3.262  -1.931  1.00  0.00           H  
HETATM   73  H   UNL     1       8.742  -2.003  -1.967  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.035   1.889   0.420  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.314   4.710   0.641  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.294   4.697   2.982  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.815   4.598   2.063  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.476   3.487   1.689  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.150   7.638   0.704  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.625   7.022   1.488  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.104   7.121   2.407  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.541   4.213  -0.701  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.880   5.324  -0.327  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.405   5.940  -1.111  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.286   0.448  -1.605  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.589   1.279  -3.016  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.697   1.239  -1.476  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.354   1.777  -1.642  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.284   3.553  -1.735  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.778   2.569  -3.129  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.568   3.734  -3.149  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.074   4.718  -1.755  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.568   3.771  -1.676  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.681  -3.991   3.220  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.816  -6.017   3.951  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.026  -6.882  -0.055  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.113  -1.902  -1.036  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.475  -5.062  -3.494  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.541  -4.519  -5.892  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.425  -2.492  -6.730  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.237  -1.000  -5.176  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.171  -1.521  -2.773  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.009  -8.081   4.119  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.507  -7.152   4.372  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.589  -8.896   4.025  1.00  0.00           H  
CONECT    1    2    5   38   57                                       
CONECT    2    3    1   58   59                                       
CONECT    3   23    4    2                                            
CONECT    4    6    3    5   60                                       
CONECT    5    4    1   61   62                                       
CONECT    6    8    7    7    4                                       
CONECT    7    6    6                                                 
CONECT    8    9    6   63                                            
CONECT    9   10   14    8   64                                       
CONECT   10   11    9   65   66                                       
CONECT   11   13   12   10   67                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   15   15    9   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   68                                            
CONECT   17   19   19   16   20                                       
CONECT   17   18   18                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   22   21   17   69                                       
CONECT   21   22   20   70   71                                       
CONECT   22   21   20   72   73                                       
CONECT   23   37   37   24    3                                       
CONECT   24   33   25   23   74                                       
CONECT   25   24   26   75                                            
CONECT   26   25   27   32   32                                       
CONECT   27   26   28                                                 
CONECT   28   27   31   29   30                                       
CONECT   29   28   76   77   78                                       
CONECT   30   28   79   80   81                                       
CONECT   31   28   82   83   84                                       
CONECT   32   26   26                                                 
CONECT   33   35   36   34   24                                       
CONECT   34   33   85   86   87                                       
CONECT   35   33   88   89   90                                       
CONECT   36   33   91   92   93                                       
CONECT   37   23   23                                                 
CONECT   38    1   39                                                 
CONECT   39   38   40   40   48                                       
CONECT   40   41   39   39   45                                       
CONECT   41   42   42   40   94                                       
CONECT   42   41   41   43   95                                       
CONECT   43   42   55   44   44                                       
CONECT   44   43   43   45   96                                       
CONECT   45   40   44   46   46                                       
CONECT   46   45   45   47                                            
CONECT   47   48   48   46   49                                       
CONECT   48   39   47   47   97                                       
CONECT   49   47   54   54   50                                       
CONECT   50   49   51   51   98                                       
CONECT   51   50   50   52   99                                       
CONECT   52   53   53   51  100                                       
CONECT   53   54   52   52  101                                       
CONECT   54   49   49   53  102                                       
CONECT   55   43   56                                                 
CONECT   56   55  103  104  105                                       
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    2                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   16                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   41                                                      
CONECT   95   42                                                      
CONECT   96   44                                                      
CONECT   97   48                                                      
CONECT   98   50                                                      
CONECT   99   51                                                      
CONECT  100   52                                                      
CONECT  101   53                                                      
CONECT  102   54                                                      
CONECT  103   56                                                      
CONECT  104   56                                                      
CONECT  105   56                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
