COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.092   3.530   3.299  1.00  0.00           C  
HETATM    2  C   UNL     1       1.347   1.932   1.675  1.00  0.00           C  
HETATM    3  C   UNL     1       1.674   2.847   0.493  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.209   2.861  -1.029  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.509   3.591  -1.376  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.198   7.112  -1.084  1.00  0.00           C  
HETATM    7  C   UNL     1       0.768   4.949  -0.296  1.00  0.00           C  
HETATM    8  C   UNL     1       2.555   1.102   2.002  1.00  0.00           C  
HETATM    9  C   UNL     1       3.671   1.250   1.322  1.00  0.00           C  
HETATM   10  C   UNL     1       4.898   0.477   1.731  1.00  0.00           C  
HETATM   11  C   UNL     1       4.338  -1.052  -0.165  1.00  0.00           C  
HETATM   12  O   UNL     1       4.253  -2.592  -2.345  1.00  0.00           O  
HETATM   13  C   UNL     1       3.550  -4.141  -0.010  1.00  0.00           C  
HETATM   14  C   UNL     1       2.368  -3.528  -0.620  1.00  0.00           C  
HETATM   15  C   UNL     1       2.136  -3.576  -1.991  1.00  0.00           C  
HETATM   16  C   UNL     1       1.010  -2.989  -2.528  1.00  0.00           C  
HETATM   17  C   UNL     1       0.108  -2.324  -1.706  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.262  -2.350  -1.867  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.726  -1.673  -0.567  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.579  -0.166  -0.733  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.397   0.572   0.322  1.00  0.00           C  
HETATM   22  O   UNL     1       1.011   2.735   2.808  1.00  0.00           O  
HETATM   23  N   UNL     1       0.461   3.562   0.076  1.00  0.00           N  
HETATM   24  N   UNL     1      -1.205   4.981  -1.747  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.430   5.690  -2.146  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.074   7.117  -2.571  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.397   7.773  -1.494  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.529   5.682  -0.647  1.00  0.00           C  
HETATM   29  F   UNL     1       2.517   0.199   3.007  1.00  0.00           F  
HETATM   30  C   UNL     1       5.461  -0.285   0.532  1.00  0.00           C  
HETATM   31  C   UNL     1       6.088   0.705  -0.452  1.00  0.00           C  
HETATM   32  C   UNL     1       3.544  -0.095  -1.056  1.00  0.00           C  
HETATM   33  S   UNL     1       5.042  -2.381  -1.182  1.00  0.00           S  
HETATM   34  O   UNL     1       6.454  -2.250  -1.268  1.00  0.00           O  
HETATM   35  N   UNL     1       4.808  -3.753  -0.271  1.00  0.00           N  
HETATM   36  O   UNL     1       3.382  -5.052   0.777  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.008  -1.774  -2.251  1.00  0.00           O  
HETATM   38  C   UNL     1      -4.881   0.318   0.070  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.144  -1.163   0.001  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.437  -1.603   0.249  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.741  -2.950   0.211  1.00  0.00           C  
HETATM   42 CL   UNL     1      -8.360  -3.492   0.525  1.00  0.00          Cl  
HETATM   43  C   UNL     1      -5.742  -3.865  -0.081  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.458  -3.426  -0.332  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.152  -2.070  -0.291  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.838  -2.168   0.577  1.00  0.00           C  
HETATM   47  N   UNL     1      -0.517  -1.540   0.513  1.00  0.00           N  
HETATM   48  C   UNL     1       0.083  -1.409   1.846  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.097   0.000   2.398  1.00  0.00           C  
HETATM   50  C   UNL     1      -1.558   0.224   2.844  1.00  0.00           C  
HETATM   51  C   UNL     1      -1.862   1.654   2.356  1.00  0.00           C  
HETATM   52  O   UNL     1      -1.023   1.868   1.216  1.00  0.00           O  
HETATM   53  C   UNL     1       0.151   1.056   1.311  1.00  0.00           C  
HETATM   54  C   UNL     1       0.344  -2.239  -0.336  1.00  0.00           C  
HETATM   55  C   UNL     1       1.461  -2.847   0.212  1.00  0.00           C  
HETATM   56  H   UNL     1       2.928   2.882   3.564  1.00  0.00           H  
HETATM   57  H   UNL     1       2.407   4.231   2.526  1.00  0.00           H  
HETATM   58  H   UNL     1       1.767   4.082   4.180  1.00  0.00           H  
HETATM   59  H   UNL     1       2.436   3.568   0.792  1.00  0.00           H  
HETATM   60  H   UNL     1       2.047   2.248  -0.338  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.436   1.839  -0.727  1.00  0.00           H  
HETATM   62  H   UNL     1       0.444   2.847  -1.901  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.995   3.089  -2.213  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.172   3.583  -0.512  1.00  0.00           H  
HETATM   65  H   UNL     1       0.505   7.083  -1.917  1.00  0.00           H  
HETATM   66  H   UNL     1       0.249   7.653  -0.250  1.00  0.00           H  
HETATM   67  H   UNL     1       1.254   5.451   0.541  1.00  0.00           H  
HETATM   68  H   UNL     1       1.433   4.955  -1.159  1.00  0.00           H  
HETATM   69  H   UNL     1       3.715   1.945   0.498  1.00  0.00           H  
HETATM   70  H   UNL     1       5.653   1.168   2.106  1.00  0.00           H  
HETATM   71  H   UNL     1       4.634  -0.232   2.516  1.00  0.00           H  
HETATM   72  H   UNL     1       3.674  -1.484   0.585  1.00  0.00           H  
HETATM   73  H   UNL     1       2.842  -4.076  -2.639  1.00  0.00           H  
HETATM   74  H   UNL     1       0.829  -3.046  -3.591  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.138  -3.420  -1.700  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.998  -2.185  -2.654  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.528   0.106  -0.629  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.928   0.122  -1.724  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.128   0.208   1.314  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.194   1.641   0.259  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.897   5.168  -2.981  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.122   5.723  -1.304  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.423   7.085  -3.444  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.985   7.663  -2.815  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.182   5.707   0.226  1.00  0.00           H  
HETATM   86  H   UNL     1       6.222  -0.987   0.873  1.00  0.00           H  
HETATM   87  H   UNL     1       6.892   1.249   0.043  1.00  0.00           H  
HETATM   88  H   UNL     1       6.490   0.162  -1.307  1.00  0.00           H  
HETATM   89  H   UNL     1       5.329   1.408  -0.793  1.00  0.00           H  
HETATM   90  H   UNL     1       4.229   0.438  -1.716  1.00  0.00           H  
HETATM   91  H   UNL     1       2.831  -0.662  -1.654  1.00  0.00           H  
HETATM   92  H   UNL     1       3.009   0.622  -0.433  1.00  0.00           H  
HETATM   93  H   UNL     1       5.564  -4.261   0.064  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.465   0.752   0.882  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.172   0.783  -0.872  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.212  -0.885   0.474  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.968  -4.921  -0.112  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.683  -4.142  -0.561  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.308  -1.922   1.529  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.723  -3.249   0.502  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.391  -2.121   2.522  1.00  0.00           H  
HETATM  102  H   UNL     1       1.147  -1.634   1.781  1.00  0.00           H  
HETATM  103  H   UNL     1       0.565   0.170   3.248  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.221  -0.496   2.364  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.643   0.161   3.929  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.911   1.739   2.072  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.625   2.376   3.138  1.00  0.00           H  
HETATM  108  H   UNL     1       0.331   0.563   0.355  1.00  0.00           H  
HETATM  109  H   UNL     1       1.635  -2.800   1.277  1.00  0.00           H  
CONECT    1   22   56   57   58                                       
CONECT    2   53    8    3   22                                       
CONECT    3    2   23   59   60                                       
CONECT    4   23    5   61   62                                       
CONECT    5    4   24   63   64                                       
CONECT    6   28   27   65   66                                       
CONECT    7   23   28   67   68                                       
CONECT    8   29    2    9    9                                       
CONECT    9    8    8   10   69                                       
CONECT   10   30    9   70   71                                       
CONECT   11   30   33   32   72                                       
CONECT   12   33   33                                                 
CONECT   13   14   35   36   36                                       
CONECT   14   15   15   55   13                                       
CONECT   15   16   14   14   73                                       
CONECT   16   17   17   15   74                                       
CONECT   17   37   16   16   54                                       
CONECT   18   19   37   75   76                                       
CONECT   19   45   18   46   20                                       
CONECT   20   19   21   77   78                                       
CONECT   21   38   20   79   80                                       
CONECT   22    2    1                                                 
CONECT   23    3    4    7                                            
CONECT   24    5   28   25                                            
CONECT   25   24   26   81   82                                       
CONECT   26   25   27   83   84                                       
CONECT   27    6   26                                                 
CONECT   28    7   24    6   85                                       
CONECT   29    8                                                      
CONECT   30   31   10   11   86                                       
CONECT   31   30   87   88   89                                       
CONECT   32   11   90   91   92                                       
CONECT   33   35   34   34   11                                       
CONECT   33   12   12                                                 
CONECT   34   33   33                                                 
CONECT   35   13   33   93                                            
CONECT   36   13   13                                                 
CONECT   37   18   17                                                 
CONECT   38   39   21   94   95                                       
CONECT   39   40   40   45   38                                       
CONECT   40   41   39   39   96                                       
CONECT   41   42   43   43   40                                       
CONECT   42   41                                                      
CONECT   43   41   41   44   97                                       
CONECT   44   43   45   45   98                                       
CONECT   45   44   44   39   19                                       
CONECT   46   19   47   99  100                                       
CONECT   47   46   54   48                                            
CONECT   48   47   49  101  102                                       
CONECT   49   50   48   53  103                                       
CONECT   50   51   49  104  105                                       
CONECT   51   50   52  106  107                                       
CONECT   52   51   53                                                 
CONECT   53   49   52    2  108                                       
CONECT   54   17   47   55   55                                       
CONECT   55   54   54   14  109                                       
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    1                                                      
CONECT   59    3                                                      
CONECT   60    3                                                      
CONECT   61    4                                                      
CONECT   62    4                                                      
CONECT   63    5                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66    6                                                      
CONECT   67    7                                                      
CONECT   68    7                                                      
CONECT   69    9                                                      
CONECT   70   10                                                      
CONECT   71   10                                                      
CONECT   72   11                                                      
CONECT   73   15                                                      
CONECT   74   16                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   20                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   21                                                      
CONECT   81   25                                                      
CONECT   82   25                                                      
CONECT   83   26                                                      
CONECT   84   26                                                      
CONECT   85   28                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   32                                                      
CONECT   93   35                                                      
CONECT   94   38                                                      
CONECT   95   38                                                      
CONECT   96   40                                                      
CONECT   97   43                                                      
CONECT   98   44                                                      
CONECT   99   46                                                      
CONECT  100   46                                                      
CONECT  101   48                                                      
CONECT  102   48                                                      
CONECT  103   49                                                      
CONECT  104   50                                                      
CONECT  105   50                                                      
CONECT  106   51                                                      
CONECT  107   51                                                      
CONECT  108   53                                                      
CONECT  109   55                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
